| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 26.4 | Very low | 25.4 | Very low | 150 Ų | 150 | 127 Ų | 127 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | 0 | 140.6 | 0 | -63.1 | -171.1 | -178.6 | 0 | 0 | 107.8 | R1355 Y1397 | M1-R1355 VanDerWaalsContact SD-CD 3.56Å; M1-R1355 HydrophobicContact SD-CG 4.49Å; M1-Y1397 HydrophobicContact CE-CE1 4.21Å | |||
| 2 | T | 25.8 | Very low | 25.4 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 85% | 0.847 | 65% | 0.653 | S | S | * | * | trans | -121.4 | 69.8 | -150 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | K4 | T2-K4 PolarHBondContact O-N 3.1Š| ||
| 3 | S | 23.3 | Very low | 25.2 | Very low | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | trans | -83.3 | 84.3 | 171 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | H5 | S3-H5 VanDerWaalsContact C-N 3.31Å; S3-H5 PolarHBondContact O-N 3.44Å | ||
| 4 | K | 26.3 | Very low | 25.3 | Very low | 206 Ų | 206 | 112.4 Ų | 112.4 | 90% | 0.896 | 61% | 0.606 | S | S | * | * | trans | -72.7 | 81.1 | 172.2 | -81.4 | -165.1 | 172.1 | -169.9 | 0 | 110.8 | T2 S6 | T2-K4 PolarHBondContact O-N 3.1Å; K4-S6 PolarHBondContact O-N 3.2Å | ||
| 5 | H | 28.5 | Very low | 25.5 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 38% | 0.384 | 58% | 0.581 | S | S | . | * | trans | -71.8 | 89.1 | 169.7 | -79.6 | -85.7 | 0 | 0 | 0 | 110.8 | S3 N7 Q1354 | S3-H5 VanDerWaalsContact C-N 3.31Å; S3-H5 PolarHBondContact O-N 3.44Å; H5-N7 VanDerWaalsContact C-N 3.32Å; H5-N7 PolarHBondContact O-N 3.41Å; H5-N7 VanDerWaalsContact O-N 3.07Å; H5-Q1354 PolarHBondContact CD2-NE2 2.78Å; H5-Q1354 PolarHBondContact NE2-NE2 2.79Å | ||
| 6 | S | 24.1 | Very low | 25.4 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 77% | 0.769 | 57% | 0.572 | S | S | * | * | trans | -79.9 | 77 | 170.2 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | K4 | K4-S6 PolarHBondContact O-N 3.2Š| ||
| 7 | N | 25.4 | Very low | 25.4 | Very low | 69 Ų | 69 | 101.1 Ų | 101.1 | 37% | 0.369 | 56% | 0.558 | S | S | . | * | trans | -99.5 | 136.5 | 157.2 | -87.2 | -3.5 | 0 | 0 | 0 | 108.3 | H5 L9 R1455 | H5-N7 VanDerWaalsContact C-N 3.32Å; H5-N7 PolarHBondContact O-N 3.41Å; H5-N7 VanDerWaalsContact O-N 3.07Å; N7-L9 PolarHBondContact O-N 3.1Å; N7-R1455 WeakPolarHBondContact OD1-CD 3.28Å; N7-R1455 PolarHBondContact OD1-NH1 2.73Å | ||
| 8 | A | 24.4 | Very low | 25.5 | Very low | 94 Ų | 94 | 100.7 Ų | 100.7 | 78% | 0.777 | 56% | 0.564 | S | S | * | * | trans | -71.6 | 120 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R10 | A8-R10 PolarHBondContact O-N 2.85Š| ||
| 9 | L | 25.5 | Very low | 25.8 | Very low | 155 Ų | 155 | 100.4 Ų | 100.4 | 81% | 0.812 | 56% | 0.561 | S | S | * | * | trans | -67.2 | 80.7 | 155 | -96.2 | 156.1 | 0 | 0 | 0 | 108.7 | N7 L11 | N7-L9 PolarHBondContact O-N 3.1Å; L9-L11 VanDerWaalsContact C-N 3.27Å; L9-L11 PolarHBondContact O-N 3.35Å | ||
| 10 | R | 24 | Very low | 26 | Very low | 182 Ų | 182 | 98.3 Ų | 98.3 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | trans | -67.8 | 91.3 | 160.6 | -93.4 | 179.5 | 164.8 | 168.3 | -4.7 | 107.3 | A8 S12 | A8-R10 PolarHBondContact O-N 2.85Å; R10-S12 PolarHBondContact O-N 3.28Å; R10-S12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | L | 25.4 | Very low | 26.2 | Very low | 141 Ų | 141 | 97.3 Ų | 97.3 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | trans | -62.4 | 112.7 | 164.6 | -86.1 | 165.5 | 0 | 0 | 0 | 107.7 | L9 G13 | L9-L11 VanDerWaalsContact C-N 3.27Å; L9-L11 PolarHBondContact O-N 3.35Å; L11-G13 PolarHBondContact O-N 2.73Å | ||
| 12 | S | 25.8 | Very low | 26.6 | Very low | 48 Ų | 48 | 90.9 Ų | 90.9 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | trans | -77.9 | 92.1 | 173.8 | 49.8 | 0 | 0 | 0 | 0 | 108.3 | R10 R14 W2361 | R10-S12 PolarHBondContact O-N 3.28Å; R10-S12 VanDerWaalsContact O-N 3.13Å; S12-R14 PolarHBondContact O-N 2.98Å; S12-R14 VanDerWaalsContact O-N 3.15Å; S12-W2361 VanDerWaalsContact O-CE3 3.26Å | ||
| 13 | G | 23 | Very low | 27 | Very low | 25 Ų | 25 | 92.2 Ų | 92.2 | 26% | 0.258 | 51% | 0.506 | S | S | . | . | trans | -54.3 | 119.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | L11 E496 Y2360 W2361 | L11-G13 PolarHBondContact O-N 2.73Å; G13-E496 WeakPolarHBondContact CA-OE1 3.45Å; G13-Y2360 WeakPolarHBondContact O-CB 3.44Å; G13-W2361 VanDerWaalsContact C-CH2 3.5Å; G13-W2361 PolarHBondContact O-NE1 2.78Å; G13-W2361 VanDerWaalsContact O-NE1 3.09Å | ||
| 14 | R | 27 | Very low | 27.7 | Very low | 103 Ų | 103 | 90.3 Ų | 90.3 | 39% | 0.389 | 49% | 0.491 | S | S | . | . | trans | -147.4 | 76.8 | 173.7 | -158.2 | 134.9 | -71.8 | 150.5 | -2.1 | 127.2 | S12 G16 W2361 V2362 | S12-R14 PolarHBondContact O-N 2.98Å; S12-R14 VanDerWaalsContact O-N 3.15Å; R14-G16 PolarHBondContact O-N 2.85Å; R14-W2361 HydrophobicContact CB-CB 4.2Å; R14-W2361 HydrophobicContact CB-CD2 2.74Å; R14-W2361 VanDerWaalsContact CB-CE2 3.46Å; R14-W2361 HydrophobicContact CB-CE3 2.58Å; R14-W2361 HydrophobicContact CB-CG 3.56Å; R14-W2361 HydrophobicContact CB-CH2 3.82Å; R14-W2361 HydrophobicContact CB-CZ2 3.93Å; R14-W2361 HydrophobicContact CB-CZ3 3.16Å; R14-W2361 HydrophobicContact CG-CD2 3.98Å; R14-W2361 HydrophobicContact CG-CE3 4.12Å; R14-W2361 HydrophobicContact CG-CG 4.48Å; R14-W2361 VanDerWaalsContact CZ-O 3.24Å; R14-W2361 VanDerWaalsContact NH1-C 3.31Å; R14-W2361 PolarHBondContact NH1-O 3.36Å; R14-W2361 PolarHBondContact NH2-O 2.59Å; R14-W2361 VanDerWaalsContact O-CH2 3.31Å; R14-W2361 WeakPolarHBondContact O-CH2 3.41Å; R14-W2361 VanDerWaalsContact O-CZ3 3.25Å; R14-W2361 WeakPolarHBondContact O-CZ3 3.44Å; R14-V2362 PolarHBondContact NH1-OXT 3.02Å | ||
| 15 | H | 27.2 | Very low | 28.1 | Very low | 52 Ų | 52 | 84.1 Ų | 84.1 | 24% | 0.241 | 49% | 0.485 | C | S | . | . | trans | 9.1 | 90.3 | 159.4 | -38.7 | -64 | 0 | 0 | 0 | 120.2 | S495 E496 Y499 W2361 | H15-S495 PolarHBondContact CE1-O 2.7Å; H15-S495 PolarHBondContact ND1-O 3.24Å; H15-E496 WeakPolarHBondContact CA-O 3.32Å; H15-E496 WeakPolarHBondContact CB-O 3.12Å; H15-E496 WeakPolarHBondContact ND1-CA 3.4Å; H15-E496 PolarHBondContact ND1-O 3.04Å; H15-Y499 AromaticContact CD2-CG 3.98Å; H15-Y499 VanDerWaalsContact CE1-CB 3.49Å; H15-Y499 WeakPolarHBondContact CE1-CB 3.04Å; H15-Y499 AromaticContact CE1-CD2 3.53Å; H15-Y499 AromaticContact CE1-CG 3.58Å; H15-Y499 WeakPolarHBondContact ND1-CB 3.27Å; H15-Y499 AromaticContact ND1-CG 3.86Å; H15-Y499 AromaticContact NE2-CD2 3.89Å; H15-Y499 AromaticContact NE2-CG 3.68Å; H15-W2361 HydrophobicContact CB-CZ2 4.46Å; H15-W2361 AromaticContact CD2-CE2 3.91Å; H15-W2361 AromaticContact CD2-CZ2 3.97Å; H15-W2361 AromaticContact CD2-NE1 3.75Å; H15-W2361 AromaticContact CE1-CZ2 3.72Å; H15-W2361 AromaticContact CE1-NE1 3.88Å; H15-W2361 AromaticContact CG-CZ2 3.77Å; H15-W2361 AromaticContact ND1-CZ2 3.58Å; H15-W2361 AromaticContact NE2-CE2 3.72Å; H15-W2361 AromaticContact NE2-CZ2 3.94Å; H15-W2361 AromaticContact NE2-NE1 3.27Å; H15-W2361 PolarHBondContact NE2-NE1 2.76Å | ||
| 16 | G | 25 | Very low | 28.2 | Very low | 42 Ų | 42 | 82.8 Ų | 82.8 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | trans | 175.7 | 148.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R14 E497 | R14-G16 PolarHBondContact O-N 2.85Å; G16-E497 VanDerWaalsContact C-CB 3.45Å; G16-E497 VanDerWaalsContact C-CG 3.5Å; G16-E497 WeakPolarHBondContact O-CG 3.45Å | ||
| 17 | P | 25.4 | Very low | 28.8 | Very low | 51 Ų | 51 | 84 Ų | 84 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -77.5 | 160.2 | -173.1 | -15.6 | 29.8 | 0 | 0 | 0 | 116.9 | E497 | P17-E497 VanDerWaalsContact CA-CD 3.42Å; P17-E497 WeakPolarHBondContact CA-OE2 3.49Å; P17-E497 HydrophobicContact CB-CB 4.3Å; P17-E497 WeakPolarHBondContact CB-OE2 3.49Å; P17-E497 HydrophobicContact CG-CB 3.65Å; P17-E497 HydrophobicContact CG-CG 4.46Å; P17-E497 WeakPolarHBondContact CG-OE2 3.33Å |
| 18 | S | 27 | Very low | 29.3 | Very low | 94 Ų | 94 | 89.6 Ų | 89.6 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | trans | 64 | 63.3 | 159 | 57.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 19 | D | 30.4 | Very low | 30 | Very low | 96 Ų | 96 | 88.2 Ų | 88.2 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | trans | -152.2 | 100 | 154.4 | -115 | -30.8 | 0 | 0 | 0 | 111.8 | T21 F141 | D19-T21 VanDerWaalsContact C-N 3.26Å; D19-T21 HydrophobicContact CB-CG2 4.48Å; D19-T21 PolarHBondContact O-N 3.05Å; D19-F141 VanDerWaalsContact OD1-CD2 3.26Å; D19-F141 WeakPolarHBondContact OD1-CD2 3.28Å; D19-F141 WeakPolarHBondContact OD1-CE2 3.44Å; D19-F141 WeakPolarHBondContact OD2-CE2 3.23Å | ||
| 20 | T | 29.2 | Very low | 30.9 | Very low | 58 Ų | 58 | 85.1 Ų | 85.1 | 36% | 0.356 | 48% | 0.479 | S | S | . | . | trans | -80.5 | 65.3 | -178.7 | 32.4 | 0 | 0 | 0 | 0 | 112.5 | V22 | T20-V22 PolarHBondContact O-N 2.93Š| ||
| 21 | T | 30.4 | Very low | 32.5 | Very low | 77 Ų | 77 | 79.4 Ų | 79.4 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | trans | -69.3 | 98.1 | -178.5 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | D19 R23 | D19-T21 VanDerWaalsContact C-N 3.26Å; D19-T21 HydrophobicContact CB-CG2 4.48Å; D19-T21 PolarHBondContact O-N 3.05Å; T21-R23 PolarHBondContact O-N 2.92Å | ||
| 22 | V | 36 | Very low | 34.4 | Very low | 15 Ų | 15 | 73.2 Ų | 73.2 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | trans | -78.4 | 111.9 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | T20 V24 G135 M136 Y166 | T20-V22 PolarHBondContact O-N 2.93Å; V22-V24 HydrophobicContact CG1-CG2 4.13Å; V22-G135 CarbonylContact O-C 3.54Å; V22-G135 WeakPolarHBondContact O-CA 3.22Å; V22-M136 HydrophobicContact CB-CB 4.3Å; V22-M136 HydrophobicContact CB-CE 3.81Å; V22-M136 HydrophobicContact CG1-CE 3.97Å; V22-M136 HydrophobicContact CG2-CE 4.14Å; V22-M136 PolarHBondContact N-O 3.26Å; V22-M136 VanDerWaalsContact N-O 3.14Å; V22-M136 PolarHBondContact O-N 3.02Å; V22-Y166 HydrophobicContact CG1-CD1 3.79Å; V22-Y166 HydrophobicContact CG1-CD2 3.56Å; V22-Y166 HydrophobicContact CG1-CE1 3.64Å; V22-Y166 HydrophobicContact CG1-CE2 3.4Å; V22-Y166 VanDerWaalsContact CG1-CE2 3.4Å; V22-Y166 HydrophobicContact CG1-CG 3.76Å; V22-Y166 VanDerWaalsContact CG1-CZ 3.46Å; V22-Y166 HydrophobicContact CG2-CG 4.4Å | ||
| 23 | R | 33.7 | Very low | 37 | Very low | 166 Ų | 166 | 73.1 Ų | 73.1 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | trans | -83.7 | 124.8 | 174.2 | -77.5 | -176.6 | 163.8 | 148.4 | -0.2 | 111.7 | T21 T133 Y166 | T21-R23 PolarHBondContact O-N 2.92Å; R23-T133 WeakPolarHBondContact CG-O 3.2Å; R23-T133 PolarHBondContact NE-O 3.21Å; R23-Y166 PolarHBondContact O-OH 2.99Å | ||
| 24 | V | 38.6 | Very low | 39.9 | Very low | 30 Ų | 30 | 72 Ų | 72 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | trans | -115.7 | 130 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | V22 G26 L132 Y166 | V22-V24 HydrophobicContact CG1-CG2 4.13Å; V24-G26 PolarHBondContact O-N 3.33Å; V24-L132 HydrophobicContact CB-CB 3.88Å; V24-L132 HydrophobicContact CB-CD1 3.94Å; V24-L132 HydrophobicContact CG1-CD1 4.14Å; V24-L132 PolarHBondContact N-O 2.63Å; V24-L132 VanDerWaalsContact N-O 3.17Å; V24-L132 WeakPolarHBondContact O-CB 3.42Å; V24-Y166 HydrophobicContact CG2-CE2 4.4Å | ||
| 25 | G | 34.3 | Very low | 42.8 | Very low | 75 Ų | 75 | 72.4 Ų | 72.4 | 77% | 0.773 | 42% | 0.419 | S | S | * | . | trans | -65.7 | 115.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | G | 31.3 | Very low | 45.7 | Very low | 55 Ų | 55 | 70.2 Ų | 70.2 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | trans | -65.4 | 135.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V24 | V24-G26 PolarHBondContact O-N 3.33Š| ||
| 27 | R | 36.4 | Very low | 48.7 | Very low | 136 Ų | 136 | 69.6 Ų | 69.6 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -117.6 | 152.3 | 157.1 | -79.8 | -179.1 | 162.2 | -160.8 | -8.2 | 107.7 | L29 | R27-L29 WeakPolarHBondContact O-CG 3.22Å; R27-L29 PolarHBondContact O-N 3.21Å | ||
| 28 | K | 35.4 | Very low | 51.7 | Low | 187 Ų | 187 | 67.2 Ų | 67.2 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | trans | -57.1 | 128 | 168.6 | -76 | -168.8 | 172.8 | -168.6 | 0 | 108.9 | ||||
| 29 | L | 40.1 | Very low | 54.2 | Low | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | trans | -137.9 | 92.5 | -172.3 | -79.9 | 162.1 | 0 | 0 | 0 | 109.1 | R27 S31 V32 N158 | R27-L29 WeakPolarHBondContact O-CG 3.22Å; R27-L29 PolarHBondContact O-N 3.21Å; L29-S31 PolarHBondContact O-N 2.99Å; L29-V32 HydrophobicContact CB-CG2 4.3Å; L29-N158 WeakPolarHBondContact CD1-ND2 3.43Å; L29-N158 HydrophobicContact CD2-CB 4.25Å | ||
| 30 | A | 43.9 | Very low | 56.4 | Low | 90 Ų | 90 | 59.2 Ų | 59.2 | 74% | 0.744 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.4 | -8.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 31 | S | 56.8 | Low | 58.2 | Low | 62 Ų | 62 | 58.4 Ų | 58.4 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.7 | 168.6 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | L29 L101 N158 | L29-S31 PolarHBondContact O-N 2.99Å; S31-L101 CarbonylContact C-O 3.58Å; S31-L101 WeakPolarHBondContact CA-O 3.47Å; S31-L101 WeakPolarHBondContact CB-O 3.34Å; S31-N158 PolarHBondContact O-OD1 3.42Å |
| 32 | V | 65.9 | Low | 60 | Low | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 110.6 | 179 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L29 I34 L101 L130 L157 N158 | L29-V32 HydrophobicContact CB-CG2 4.3Å; V32-I34 HydrophobicContact CG1-CG1 4.31Å; V32-L101 HydrophobicContact CB-CB 4.17Å; V32-L101 HydrophobicContact CB-CD1 4.14Å; V32-L101 HydrophobicContact CG1-CD1 4.36Å; V32-L101 PolarHBondContact N-O 2.83Å; V32-L101 PolarHBondContact O-N 2.6Å; V32-L130 HydrophobicContact CG2-CD1 3.65Å; V32-L157 HydrophobicContact CG1-CD1 3.73Å; V32-N158 WeakPolarHBondContact CA-OD1 3.49Å |
| 33 | E | 79.8 | Confident | 61.5 | Low | 45 Ų | 45 | 59.6 Ų | 59.6 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.6 | 173 | 178 | 175.2 | -125.2 | 0 | 0 | 111.2 | R35 I99 V100 L157 N158 | E33-R35 HydrophobicContact CG-CG 3.97Å; E33-R35 IonicContact OE1-CZ 3.52Å; E33-R35 IonicContact OE1-NE 3.42Å; E33-R35 PolarHBondContact OE1-NE 3.17Å; E33-R35 IonicContact OE1-NH2 2.72Å; E33-R35 PolarHBondContact OE1-NH2 3.27Å; E33-R35 IonicContact OE2-CZ 2.76Å; E33-R35 IonicContact OE2-NE 2.67Å; E33-R35 PolarHBondContact OE2-NE 2.94Å; E33-R35 IonicContact OE2-NH2 3.35Å; E33-R35 PolarHBondContact OE2-NH2 2.82Å; E33-I99 CarbonylContact C-O 3.5Å; E33-I99 WeakPolarHBondContact CA-O 3.34Å; E33-V100 HydrophobicContact CB-CG2 4.5Å; E33-V100 HydrophobicContact CG-CG2 4.24Å; E33-L157 CarbonylContact O-C 3.56Å; E33-L157 WeakPolarHBondContact O-CA 3.29Å; E33-N158 PolarHBondContact N-OD1 3.29Å; E33-N158 PolarHBondContact O-N 3.2Å |
| 34 | I | 83.4 | Confident | 63.3 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.8 | 169.7 | -56.5 | 165.4 | 0 | 0 | 0 | 107.9 | V32 L48 L50 L57 A98 I99 L155 K156 L157 | V32-I34 HydrophobicContact CG1-CG1 4.31Å; I34-L48 HydrophobicContact CD1-CD2 4.13Å; I34-L48 HydrophobicContact CG2-CD2 3.58Å; I34-L50 HydrophobicContact CD1-CD1 3.99Å; I34-L57 HydrophobicContact CD1-CD2 4.45Å; I34-A98 CarbonylContact O-C 2.81Å; I34-A98 WeakPolarHBondContact O-CA 3.38Å; I34-I99 HydrophobicContact CB-CB 4.23Å; I34-I99 PolarHBondContact N-O 2.79Å; I34-I99 PolarHBondContact O-N 2.83Å; I34-L155 HydrophobicContact CG2-CD1 4.32Å; I34-K156 CarbonylContact C-O 3.58Å; I34-K156 WeakPolarHBondContact CA-O 3.36Å; I34-L157 HydrophobicContact CG1-CD1 3.71Å |
| 35 | R | 88.7 | Confident | 64.9 | Low | 112 Ų | 112 | 52.5 Ų | 52.5 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.4 | 168 | -50.3 | -167.2 | -177.8 | 176.8 | 5.7 | 110.7 | E33 V97 A98 L155 K156 | E33-R35 HydrophobicContact CG-CG 3.97Å; E33-R35 IonicContact OE1-CZ 3.52Å; E33-R35 IonicContact OE1-NE 3.42Å; E33-R35 PolarHBondContact OE1-NE 3.17Å; E33-R35 IonicContact OE1-NH2 2.72Å; E33-R35 PolarHBondContact OE1-NH2 3.27Å; E33-R35 IonicContact OE2-CZ 2.76Å; E33-R35 IonicContact OE2-NE 2.67Å; E33-R35 PolarHBondContact OE2-NE 2.94Å; E33-R35 IonicContact OE2-NH2 3.35Å; E33-R35 PolarHBondContact OE2-NH2 2.82Å; R35-V97 CarbonylContact C-O 3.53Å; R35-V97 VanDerWaalsContact CA-O 3.26Å; R35-V97 WeakPolarHBondContact CA-O 3.47Å; R35-A98 HydrophobicContact CB-CB 4.44Å; R35-A98 HydrophobicContact CG-CB 3.81Å; R35-L155 CarbonylContact O-C 3.47Å; R35-L155 WeakPolarHBondContact O-CA 3.23Å; R35-K156 HydrophobicContact CB-CB 4.3Å; R35-K156 PolarHBondContact N-O 2.99Å; R35-K156 PolarHBondContact O-N 2.9Å |
| 36 | L | 88 | Confident | 66.8 | Low | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.7 | 175.1 | 59.4 | 85.6 | 0 | 0 | 0 | 111.5 | F38 L47 T96 V97 M154 L155 | L36-F38 HydrophobicContact CD1-CD1 3.52Å; L36-F38 HydrophobicContact CD1-CE1 4.13Å; L36-F38 HydrophobicContact CD1-CG 4.39Å; L36-L47 HydrophobicContact CD1-CD1 4.28Å; L36-L47 HydrophobicContact CD2-CB 4.25Å; L36-T96 CarbonylContact O-C 3.47Å; L36-T96 WeakPolarHBondContact O-CA 3.3Å; L36-V97 HydrophobicContact CD1-CB 3.73Å; L36-V97 HydrophobicContact CD1-CG2 3.78Å; L36-V97 HydrophobicContact CG-CB 4.02Å; L36-V97 PolarHBondContact N-O 3.08Å; L36-V97 PolarHBondContact O-N 3.3Å; L36-M154 CarbonylContact C-O 3.53Å; L36-M154 VanDerWaalsContact CA-O 3.23Å; L36-M154 WeakPolarHBondContact CA-O 3.43Å; L36-L155 HydrophobicContact CB-CD1 3.95Å |
| 37 | E | 88.8 | Confident | 69.2 | Low | 30 Ų | 30 | 46.9 Ų | 46.9 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.5 | 170.7 | -171.5 | -162.5 | 147.1 | 0 | 0 | 108.6 | H94 H95 I152 M153 M154 | E37-H94 IonicContact OE1-CG 3.54Å; E37-H94 IonicContact OE1-ND1 2.72Å; E37-H94 PolarHBondContact OE1-ND1 2.95Å; E37-H95 CarbonylContact C-O 3.54Å; E37-H95 WeakPolarHBondContact CA-O 3.43Å; E37-I152 CarbonylContact O-C 3.43Å; E37-I152 WeakPolarHBondContact O-CA 3.39Å; E37-I152 VanDerWaalsContact O-CG2 3.31Å; E37-I152 WeakPolarHBondContact O-CG2 3.14Å; E37-M153 HydrophobicContact CB-CB 4.34Å; E37-M153 HydrophobicContact CG-CB 4.36Å; E37-M153 PolarHBondContact O-N 3.45Å; E37-M153 WeakPolarHBondContact OE1-CE 3.29Å; E37-M154 HydrophobicContact CB-CB 3.7Å; E37-M154 HydrophobicContact CB-CE 4.39Å; E37-M154 PolarHBondContact N-O 3.1Å |
| 38 | F | 87 | Confident | 71.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.7 | -174.5 | 81.1 | -81 | 0 | 0 | 0 | 114.3 | L36 T40 L47 L61 I89 H94 H95 V97 F148 C151 I152 | L36-F38 HydrophobicContact CD1-CD1 3.52Å; L36-F38 HydrophobicContact CD1-CE1 4.13Å; L36-F38 HydrophobicContact CD1-CG 4.39Å; F38-T40 HydrophobicContact CD2-CG2 4.19Å; F38-T40 HydrophobicContact CE2-CG2 3.83Å; F38-L47 HydrophobicContact CD1-CD2 4.5Å; F38-L47 HydrophobicContact CD2-CD2 4.05Å; F38-L47 HydrophobicContact CE1-CD1 4.3Å; F38-L47 HydrophobicContact CE2-CD2 4.28Å; F38-L47 HydrophobicContact CG-CD2 4.15Å; F38-L47 HydrophobicContact CZ-CD1 4.45Å; F38-L61 HydrophobicContact CE2-CD2 4.24Å; F38-I89 HydrophobicContact CE1-CD1 4.48Å; F38-I89 HydrophobicContact CZ-CB 4.16Å; F38-I89 HydrophobicContact CZ-CD1 3.92Å; F38-I89 HydrophobicContact CZ-CG1 4.07Å; F38-H94 CarbonylContact O-C 3.44Å; F38-H94 WeakPolarHBondContact O-CA 3.35Å; F38-H95 HydrophobicContact CD1-CB 4.45Å; F38-H95 HydrophobicContact CE1-CB 4.06Å; F38-H95 HydrophobicContact CZ-CB 4.44Å; F38-H95 PolarHBondContact N-O 3.02Å; F38-H95 PolarHBondContact O-N 3.37Å; F38-V97 HydrophobicContact CD1-CG2 4.35Å; F38-V97 HydrophobicContact CE1-CG2 3.83Å; F38-F148 HydrophobicContact CB-CE2 4.33Å; F38-F148 HydrophobicContact CB-CZ 3.94Å; F38-F148 AromaticContact CD2-CE2 3.66Å; F38-F148 HydrophobicContact CD2-CE2 3.66Å; F38-F148 AromaticContact CD2-CZ 3.94Å; F38-F148 HydrophobicContact CD2-CZ 3.94Å; F38-F148 HydrophobicContact CE2-CE2 4.42Å; F38-F148 HydrophobicContact CG-CE2 4.35Å; F38-F148 HydrophobicContact CG-CZ 4.39Å; F38-C151 CarbonylContact C-O 3.57Å; F38-C151 VanDerWaalsContact CA-O 3.24Å; F38-C151 WeakPolarHBondContact CA-O 3.47Å; F38-I152 HydrophobicContact CB-CG1 4.3Å |
| 39 | K | 81.1 | Confident | 73.1 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 10% | 0.1 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 120.7 | 179.2 | 175.2 | -171.6 | -172.3 | -171.5 | 0 | 110 | V92 K93 G150 C151 | K39-V92 WeakPolarHBondContact CE-O 3.36Å; K39-V92 HydrophobicContact CG-CG1 4.46Å; K39-K93 VanDerWaalsContact CA-O 3.25Å; K39-K93 WeakPolarHBondContact CA-O 3.41Å; K39-K93 WeakPolarHBondContact CB-O 3.32Å; K39-K93 WeakPolarHBondContact CG-O 3.4Å; K39-G150 CarbonylContact O-C 3.54Å; K39-G150 WeakPolarHBondContact O-CA 3.47Å; K39-C151 HydrophobicContact CB-CB 4.36Å; K39-C151 PolarHBondContact N-O 3.26Å; K39-C151 PolarHBondContact O-N 3.4Å |
| 40 | T | 76.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 162.4 | 178.1 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | F38 L42 L61 N90 V92 F148 R149 | F38-T40 HydrophobicContact CD2-CG2 4.19Å; F38-T40 HydrophobicContact CE2-CG2 3.83Å; T40-L42 PolarHBondContact OG1-N 2.86Å; T40-L61 HydrophobicContact CG2-CD2 3.94Å; T40-N90 CarbonylContact O-C 3.49Å; T40-N90 WeakPolarHBondContact O-CA 3.29Å; T40-V92 WeakPolarHBondContact O-CA 3.46Å; T40-V92 PolarHBondContact O-N 2.87Å; T40-V92 VanDerWaalsContact O-N 3.12Å; T40-F148 HydrophobicContact CG2-CE2 4.23Å; T40-R149 PolarHBondContact OG1-O 2.62Å |
| 41 | G | 67.3 | Low | 75.3 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | trans | -109.9 | 1.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 42 | L | 67.9 | Low | 75.2 | Confident | 55 Ų | 55 | 26 Ų | 26 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | trans | -78.5 | 148.8 | 176.3 | -64.5 | -170.9 | 0 | 0 | 0 | 111.8 | T40 C45 N90 Y147 R149 | T40-L42 PolarHBondContact OG1-N 2.86Å; L42-C45 HydrophobicContact CB-CB 4.43Å; L42-C45 HydrophobicContact CD1-CB 3.97Å; L42-N90 WeakPolarHBondContact O-CB 3.19Å; L42-Y147 WeakPolarHBondContact CD1-O 3.44Å; L42-R149 HydrophobicContact CD1-CB 3.64Å; L42-R149 VanDerWaalsContact CD1-N 3.33Å; L42-R149 HydrophobicContact CD2-CB 4.25Å; L42-R149 HydrophobicContact CG-CB 3.91Å | ||
| 43 | K | 66.6 | Low | 74.7 | Confident | 63 Ų | 63 | 31.2 Ų | 31.2 | 27% | 0.274 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -98.7 | -14.1 | 178.1 | -66.8 | -124.9 | 177.2 | -168.3 | 0 | 114.1 | H63 N90 K2220 | K43-H63 PolarHBondContact O-N 2.8Å; K43-N90 WeakPolarHBondContact CD-ND2 3.27Å; K43-K2220 HydrophobicContact CB-CB 4.41Å; K43-K2220 HydrophobicContact CD-CB 4.05Å; K43-K2220 HydrophobicContact CD-CD 4.26Å; K43-K2220 HydrophobicContact CD-CG 4.1Å; K43-K2220 HydrophobicContact CG-CB 4.47Å; K43-K2220 HydrophobicContact CG-CD 4.19Å |
| 44 | V | 71.6 | Confident | 73.2 | Confident | 45 Ų | 45 | 31.2 Ų | 31.2 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 124.1 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | L61 K146 | V44-L61 VanDerWaalsContact CA-O 3.27Å; V44-L61 WeakPolarHBondContact CA-O 3.1Å; V44-K146 HydrophobicContact CG1-CD 4.31Å; V44-K146 HydrophobicContact CG1-CG 4.2Å |
| 45 | C | 71.5 | Confident | 71.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 154.9 | 171.4 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | L42 L61 K146 F148 | L42-C45 HydrophobicContact CB-CB 4.43Å; L42-C45 HydrophobicContact CD1-CB 3.97Å; C45-L61 PolarHBondContact N-O 2.93Å; C45-L61 VanDerWaalsContact N-O 3.1Å; C45-L61 PolarHBondContact O-N 3.14Å; C45-K146 CarbonylContact C-O 3.57Å; C45-K146 WeakPolarHBondContact CA-O 3.28Å; C45-F148 HydrophobicContact CB-CD2 4.46Å |
| 46 | E | 75.8 | Confident | 70.6 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.2 | 172.5 | -170 | 165.1 | 105.4 | 0 | 0 | 110.5 | T60 G139 F141 S142 K146 F148 | E46-T60 HydrophobicContact CB-CG2 4.07Å; E46-T60 HydrophobicContact CG-CG2 3.83Å; E46-G139 CarbonylContact O-C 3.6Å; E46-G139 VanDerWaalsContact O-C 3.29Å; E46-G139 WeakPolarHBondContact O-CA 3.48Å; E46-F141 PolarHBondContact OE1-N 3.32Å; E46-S142 PolarHBondContact OE1-N 3Å; E46-K146 PolarHBondContact N-O 3.31Å; E46-F148 WeakPolarHBondContact O-CB 3.48Å |
| 47 | L | 80.4 | Confident | 69.9 | Low | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -37.6 | -176.3 | -65.3 | 171.3 | 0 | 0 | 0 | 111.9 | L36 F38 V59 L61 G139 F148 | L36-L47 HydrophobicContact CD1-CD1 4.28Å; L36-L47 HydrophobicContact CD2-CB 4.25Å; F38-L47 HydrophobicContact CD1-CD2 4.5Å; F38-L47 HydrophobicContact CD2-CD2 4.05Å; F38-L47 HydrophobicContact CE1-CD1 4.3Å; F38-L47 HydrophobicContact CE2-CD2 4.28Å; F38-L47 HydrophobicContact CG-CD2 4.15Å; F38-L47 HydrophobicContact CZ-CD1 4.45Å; L47-V59 HydrophobicContact CB-CG1 4.47Å; L47-V59 WeakPolarHBondContact CB-O 3.44Å; L47-V59 HydrophobicContact CD1-CG1 4.33Å; L47-V59 PolarHBondContact N-O 3.45Å; L47-L61 HydrophobicContact CD1-CB 4.48Å; L47-G139 PolarHBondContact O-N 2.93Å; L47-F148 HydrophobicContact CD2-CD2 3.57Å; L47-F148 HydrophobicContact CD2-CE2 3.59Å |
| 48 | L | 80.5 | Confident | 69.2 | Low | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 144.8 | -174.2 | -173.2 | 72.6 | 0 | 0 | 0 | 109.8 | I34 L50 A58 V59 M136 I138 L155 | I34-L48 HydrophobicContact CD1-CD2 4.13Å; I34-L48 HydrophobicContact CG2-CD2 3.58Å; L48-L50 HydrophobicContact CD2-CD1 4.34Å; L48-A58 CarbonylContact O-C 3.43Å; L48-A58 VanDerWaalsContact O-CA 3.29Å; L48-A58 WeakPolarHBondContact O-CA 3.48Å; L48-V59 HydrophobicContact CB-CB 4.15Å; L48-V59 HydrophobicContact CB-CG2 4.23Å; L48-V59 HydrophobicContact CD2-CG2 4.35Å; L48-V59 PolarHBondContact N-O 2.96Å; L48-V59 PolarHBondContact O-N 3.26Å; L48-M136 HydrophobicContact CD1-CG 3.87Å; L48-M136 HydrophobicContact CD1-SD 3.72Å; L48-I138 HydrophobicContact CD1-CG1 4.23Å; L48-L155 HydrophobicContact CD1-CD1 4.06Å; L48-L155 HydrophobicContact CD1-CD2 3.73Å; L48-L155 HydrophobicContact CD2-CD1 4.27Å |
| 49 | A | 73.2 | Confident | 69 | Low | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 143.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F56 L57 A58 M136 S137 F141 | A49-F56 HydrophobicContact CB-CE2 3.81Å; A49-F56 HydrophobicContact CB-CZ 4.05Å; A49-L57 CarbonylContact C-O 3.59Å; A49-L57 WeakPolarHBondContact CA-O 3.28Å; A49-A58 HydrophobicContact CB-CB 4Å; A49-M136 CarbonylContact O-C 3.4Å; A49-M136 VanDerWaalsContact O-CA 3.25Å; A49-M136 WeakPolarHBondContact O-CA 3.28Å; A49-M136 VanDerWaalsContact O-CG 3.3Å; A49-M136 WeakPolarHBondContact O-CG 3.49Å; A49-S137 PolarHBondContact N-O 2.87Å; A49-S137 PolarHBondContact O-N 2.81Å; A49-F141 HydrophobicContact CB-CB 3.94Å |
| 50 | L | 70.4 | Confident | 69.1 | Low | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.8 | -178.6 | -67.3 | 155 | 0 | 0 | 0 | 107.9 | I34 L48 F56 L57 L132 M136 | I34-L50 HydrophobicContact CD1-CD1 3.99Å; L48-L50 HydrophobicContact CD2-CD1 4.34Å; L50-F56 CarbonylContact O-C 3.14Å; L50-F56 VanDerWaalsContact O-CA 3.31Å; L50-F56 WeakPolarHBondContact O-CA 3.44Å; L50-L57 HydrophobicContact CB-CB 4.24Å; L50-L57 WeakPolarHBondContact CB-O 3.45Å; L50-L57 HydrophobicContact CD1-CB 4.49Å; L50-L57 HydrophobicContact CD1-CD2 3.89Å; L50-L57 HydrophobicContact CD1-CG 4.23Å; L50-L57 PolarHBondContact N-O 2.8Å; L50-L57 PolarHBondContact O-N 3.16Å; L50-L132 HydrophobicContact CD2-CD2 3.81Å; L50-M136 HydrophobicContact CD2-CB 3.83Å; L50-M136 HydrophobicContact CD2-CG 3.56Å; L50-M136 HydrophobicContact CD2-SD 3.92Å; L50-M136 HydrophobicContact CG-CG 4.24Å |
| 51 | K | 60.2 | Low | 69.3 | Low | 77 Ų | 77 | 29 Ų | 29 | 34% | 0.335 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.8 | 175.9 | -168.1 | -177.6 | 177.7 | -83.3 | 0 | 109.6 | E53 D134 G135 | K51-E53 PolarHBondContact NZ-O 3.09Å; K51-D134 HydrophobicContact CB-CB 4.11Å; K51-D134 HydrophobicContact CD-CB 4.18Å; K51-D134 HydrophobicContact CG-CB 3.85Å; K51-D134 IonicContact NZ-OD2 3.9Å; K51-D134 PolarHBondContact NZ-OD2 2.93Å; K51-D134 WeakPolarHBondContact O-CB 3.44Å; K51-G135 PolarHBondContact N-O 2.95Å; K51-G135 PolarHBondContact O-N 2.84Å |
| 52 | L | 55 | Low | 69.7 | Low | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 72.4 | -160.6 | -74.1 | 157.8 | 0 | 0 | 0 | 107.9 | A54 T55 L130 P131 L132 | L52-A54 PolarHBondContact O-N 2.87Å; L52-T55 WeakPolarHBondContact CB-OG1 3.46Å; L52-T55 PolarHBondContact N-O 2.93Å; L52-T55 PolarHBondContact O-N 2.68Å; L52-T55 PolarHBondContact O-OG1 2.91Å; L52-L130 HydrophobicContact CD1-CD2 3.88Å; L52-L130 HydrophobicContact CD2-CB 4.26Å; L52-L130 HydrophobicContact CD2-CD2 4.33Å; L52-P131 WeakPolarHBondContact CD2-O 3.16Å; L52-L132 HydrophobicContact CD2-CD2 3.68Å; L52-L132 HydrophobicContact CD2-CG 3.99Å; L52-L132 HydrophobicContact CG-CD2 4.39Å |
| 53 | E | 56.1 | Low | 69.8 | Low | 120 Ų | 120 | 29.2 Ų | 29.2 | 56% | 0.561 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -104.7 | -167.5 | -58.9 | 176.4 | 176.3 | 0 | 0 | 111.6 | K51 | K51-E53 PolarHBondContact NZ-O 3.09Š|
| 54 | A | 48 | Very low | 69.9 | Low | 45 Ų | 45 | 26.5 Ų | 26.5 | 37% | 0.372 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -40.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L52 W73 | L52-A54 PolarHBondContact O-N 2.87Å; A54-W73 HydrophobicContact CB-CB 3.71Å; A54-W73 HydrophobicContact CB-CG 4.39Å; A54-W73 WeakPolarHBondContact O-CA 3.26Å; A54-W73 WeakPolarHBondContact O-CB 3.34Å; A54-W73 PolarHBondContact O-N 2.93Å |
| 55 | T | 53.1 | Low | 70 | Confident | 33 Ų | 33 | 26.3 Ų | 26.3 | 20% | 0.202 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 158.5 | -165.7 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | L52 R71 N72 | L52-T55 WeakPolarHBondContact CB-OG1 3.46Å; L52-T55 PolarHBondContact N-O 2.93Å; L52-T55 PolarHBondContact O-N 2.68Å; L52-T55 PolarHBondContact O-OG1 2.91Å; T55-R71 CarbonylContact C-O 3.56Å; T55-R71 VanDerWaalsContact CA-O 3.25Å; T55-R71 WeakPolarHBondContact CA-O 3.18Å; T55-N72 HydrophobicContact CG2-CB 4.01Å |
| 56 | F | 64.4 | Low | 70.6 | Confident | 50 Ų | 50 | 26.3 Ų | 26.3 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 131.8 | -174.8 | 172.4 | -94.3 | 0 | 0 | 0 | 110.2 | A49 L50 A58 A70 R71 F141 | A49-F56 HydrophobicContact CB-CE2 3.81Å; A49-F56 HydrophobicContact CB-CZ 4.05Å; L50-F56 CarbonylContact O-C 3.14Å; L50-F56 VanDerWaalsContact O-CA 3.31Å; L50-F56 WeakPolarHBondContact O-CA 3.44Å; F56-A58 HydrophobicContact CD1-CB 4.43Å; F56-A58 HydrophobicContact CE1-CB 3.49Å; F56-A58 VanDerWaalsContact CE1-CB 3.49Å; F56-A58 HydrophobicContact CE2-CB 4.46Å; F56-A58 HydrophobicContact CZ-CB 3.53Å; F56-A70 CarbonylContact O-C 3.52Å; F56-A70 WeakPolarHBondContact O-CA 3.49Å; F56-R71 PolarHBondContact N-O 3.26Å; F56-R71 PolarHBondContact O-N 2.85Å; F56-F141 AromaticContact CE2-CD1 3.77Å; F56-F141 HydrophobicContact CE2-CD1 3.77Å; F56-F141 HydrophobicContact CE2-CE1 4.32Å |
| 57 | L | 72.4 | Confident | 70.8 | Confident | 22 Ų | 22 | 26.4 Ų | 26.4 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 112.7 | 178.9 | 172.1 | 65.4 | 0 | 0 | 0 | 110.6 | I34 A49 L50 V68 V69 A70 L101 | I34-L57 HydrophobicContact CD1-CD2 4.45Å; A49-L57 CarbonylContact C-O 3.59Å; A49-L57 WeakPolarHBondContact CA-O 3.28Å; L50-L57 HydrophobicContact CB-CB 4.24Å; L50-L57 WeakPolarHBondContact CB-O 3.45Å; L50-L57 HydrophobicContact CD1-CB 4.49Å; L50-L57 HydrophobicContact CD1-CD2 3.89Å; L50-L57 HydrophobicContact CD1-CG 4.23Å; L50-L57 PolarHBondContact N-O 2.8Å; L50-L57 PolarHBondContact O-N 3.16Å; L57-V68 HydrophobicContact CD1-CG1 3.63Å; L57-V69 CarbonylContact C-O 3.56Å; L57-V69 VanDerWaalsContact CA-O 3.27Å; L57-V69 WeakPolarHBondContact CA-O 3.47Å; L57-A70 HydrophobicContact CD1-CB 4.25Å; L57-L101 HydrophobicContact CD2-CD1 3.71Å |
| 58 | A | 74.4 | Confident | 70.7 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L48 A49 F56 V68 V69 | L48-A58 CarbonylContact O-C 3.43Å; L48-A58 VanDerWaalsContact O-CA 3.29Å; L48-A58 WeakPolarHBondContact O-CA 3.48Å; A49-A58 HydrophobicContact CB-CB 4Å; F56-A58 HydrophobicContact CD1-CB 4.43Å; F56-A58 HydrophobicContact CE1-CB 3.49Å; F56-A58 VanDerWaalsContact CE1-CB 3.49Å; F56-A58 HydrophobicContact CE2-CB 4.46Å; F56-A58 HydrophobicContact CZ-CB 3.53Å; A58-V68 CarbonylContact O-C 3.53Å; A58-V68 VanDerWaalsContact O-CA 3.31Å; A58-V68 WeakPolarHBondContact O-CA 3.24Å; A58-V69 PolarHBondContact N-O 3.33Å; A58-V69 PolarHBondContact O-N 3.39Å |
| 59 | V | 83.2 | Confident | 70.4 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.9 | 177.9 | -173 | 0 | 0 | 0 | 0 | 108.2 | L47 L48 I66 Q67 I99 | L47-V59 HydrophobicContact CB-CG1 4.47Å; L47-V59 WeakPolarHBondContact CB-O 3.44Å; L47-V59 HydrophobicContact CD1-CG1 4.33Å; L47-V59 PolarHBondContact N-O 3.45Å; L48-V59 HydrophobicContact CB-CB 4.15Å; L48-V59 HydrophobicContact CB-CG2 4.23Å; L48-V59 HydrophobicContact CD2-CG2 4.35Å; L48-V59 PolarHBondContact N-O 2.96Å; L48-V59 PolarHBondContact O-N 3.26Å; V59-I66 HydrophobicContact CG1-CG2 3.8Å; V59-Q67 CarbonylContact C-O 3.53Å; V59-Q67 WeakPolarHBondContact CA-O 3.42Å; V59-I99 HydrophobicContact CB-CD1 4.39Å; V59-I99 HydrophobicContact CG1-CD1 3.83Å; V59-I99 HydrophobicContact CG2-CD1 3.57Å |
| 60 | T | 82.2 | Confident | 70.1 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.9 | -176.7 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | E46 I66 Q67 | E46-T60 HydrophobicContact CB-CG2 4.07Å; E46-T60 HydrophobicContact CG-CG2 3.83Å; T60-I66 CarbonylContact O-C 3.24Å; T60-I66 WeakPolarHBondContact O-CA 3.36Å; T60-Q67 PolarHBondContact N-O 2.98Å; T60-Q67 PolarHBondContact O-N 2.77Å; T60-Q67 WeakPolarHBondContact OG1-CB 3.5Å; T60-Q67 PolarHBondContact OG1-O 2.91Å |
| 61 | L | 82 | Confident | 69.7 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 113.4 | 168.8 | 175.7 | 60.7 | 0 | 0 | 0 | 108.5 | F38 T40 V44 C45 L47 N65 I89 | F38-L61 HydrophobicContact CE2-CD2 4.24Å; T40-L61 HydrophobicContact CG2-CD2 3.94Å; V44-L61 VanDerWaalsContact CA-O 3.27Å; V44-L61 WeakPolarHBondContact CA-O 3.1Å; C45-L61 PolarHBondContact N-O 2.93Å; C45-L61 VanDerWaalsContact N-O 3.1Å; C45-L61 PolarHBondContact O-N 3.14Å; L47-L61 HydrophobicContact CD1-CB 4.48Å; L61-N65 WeakPolarHBondContact CA-O 3.49Å; L61-I89 HydrophobicContact CD1-CD1 3.73Å; L61-I89 HydrophobicContact CD1-CG1 3.68Å |
| 62 | E | 75.3 | Confident | 69.2 | Low | 47 Ų | 47 | 31 Ų | 31 | 22% | 0.22 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109.6 | 173.7 | -76.7 | -152.2 | 134.3 | 0 | 0 | 111.2 | D64 N65 K82 | E62-D64 VanDerWaalsContact C-N 3.31Å; E62-D64 PolarHBondContact O-N 2.82Å; E62-N65 PolarHBondContact N-O 2.79Å; E62-N65 WeakPolarHBondContact O-CB 3.33Å; E62-N65 PolarHBondContact O-N 2.82Å; E62-N65 PolarHBondContact O-ND2 3.12Å; E62-K82 IonicContact OE2-NZ 2.75Å; E62-K82 PolarHBondContact OE2-NZ 3.04Å |
| 63 | H | 69.7 | Low | 68.7 | Low | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 47.5 | 170 | -54.7 | 108.2 | 0 | 0 | 0 | 114.1 | K43 N65 | K43-H63 PolarHBondContact O-N 2.8Å; H63-N65 PolarHBondContact O-ND2 2.81Å; H63-N65 VanDerWaalsContact O-ND2 3.11Å |
| 64 | D | 67.6 | Low | 68.2 | Low | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 28.7 | -177.1 | -56.4 | -73.6 | 0 | 0 | 0 | 114.4 | E62 T85 P88 I89 N90 | E62-D64 VanDerWaalsContact C-N 3.31Å; E62-D64 PolarHBondContact O-N 2.82Å; D64-T85 WeakPolarHBondContact O-CB 3.43Å; D64-T85 WeakPolarHBondContact O-CG2 3.33Å; D64-T85 PolarHBondContact O-OG1 2.92Å; D64-P88 WeakPolarHBondContact OD1-CA 3.39Å; D64-P88 VanDerWaalsContact OD1-CB 3.26Å; D64-P88 WeakPolarHBondContact OD1-CB 3.48Å; D64-I89 PolarHBondContact OD1-N 3.41Å; D64-N90 PolarHBondContact OD1-ND2 2.68Å; D64-N90 PolarHBondContact OD2-ND2 2.87Å |
| 65 | N | 75.1 | Confident | 68 | Low | 41 Ų | 41 | 31.3 Ų | 31.3 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.6 | 168.6 | -48.6 | -90.2 | 0 | 0 | 0 | 109.5 | L61 E62 H63 H84 | L61-N65 WeakPolarHBondContact CA-O 3.49Å; E62-N65 PolarHBondContact N-O 2.79Å; E62-N65 WeakPolarHBondContact O-CB 3.33Å; E62-N65 PolarHBondContact O-N 2.82Å; E62-N65 PolarHBondContact O-ND2 3.12Å; H63-N65 PolarHBondContact O-ND2 2.81Å; H63-N65 VanDerWaalsContact O-ND2 3.11Å; N65-H84 PolarHBondContact OD1-ND1 3.48Å |
| 66 | I | 82.8 | Confident | 67.7 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127 | 170.7 | -58.4 | -170.6 | 0 | 0 | 0 | 107.9 | V59 T60 F83 I89 V97 I110 | V59-I66 HydrophobicContact CG1-CG2 3.8Å; T60-I66 CarbonylContact O-C 3.24Å; T60-I66 WeakPolarHBondContact O-CA 3.36Å; I66-F83 PolarHBondContact N-O 2.74Å; I66-F83 PolarHBondContact O-N 2.74Å; I66-I89 HydrophobicContact CD1-CD1 3.98Å; I66-I89 HydrophobicContact CG1-CD1 3.86Å; I66-V97 HydrophobicContact CD1-CB 4.12Å; I66-V97 HydrophobicContact CD1-CG1 3.56Å; I66-V97 HydrophobicContact CD1-CG2 3.37Å; I66-I110 HydrophobicContact CD1-CD1 3.47Å; I66-I110 VanDerWaalsContact CD1-CD1 3.47Å; I66-I110 HydrophobicContact CD1-CG1 3.95Å; I66-I110 HydrophobicContact CG1-CD1 3.92Å |
| 67 | Q | 79.7 | Confident | 67 | Low | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.7 | 174.7 | 168.4 | 178.9 | -0.9 | 0 | 0 | 109.6 | V59 T60 V69 D80 W81 K82 | V59-Q67 CarbonylContact C-O 3.53Å; V59-Q67 WeakPolarHBondContact CA-O 3.42Å; T60-Q67 PolarHBondContact N-O 2.98Å; T60-Q67 PolarHBondContact O-N 2.77Å; T60-Q67 WeakPolarHBondContact OG1-CB 3.5Å; T60-Q67 PolarHBondContact OG1-O 2.91Å; Q67-V69 HydrophobicContact CG-CG2 3.71Å; Q67-D80 PolarHBondContact NE2-OD1 3.39Å; Q67-D80 PolarHBondContact NE2-OD2 3.06Å; Q67-W81 WeakPolarHBondContact CA-O 3.33Å; Q67-K82 HydrophobicContact CB-CD 4.36Å; Q67-K82 HydrophobicContact CB-CG 4.06Å; Q67-K82 HydrophobicContact CG-CD 4.45Å; Q67-K82 HydrophobicContact CG-CG 4.01Å |
| 68 | V | 79.4 | Confident | 66 | Low | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.1 | 168.3 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | L57 A58 W81 F83 I99 V108 | L57-V68 HydrophobicContact CD1-CG1 3.63Å; A58-V68 CarbonylContact O-C 3.53Å; A58-V68 VanDerWaalsContact O-CA 3.31Å; A58-V68 WeakPolarHBondContact O-CA 3.24Å; V68-W81 HydrophobicContact CB-CB 4.47Å; V68-W81 HydrophobicContact CB-CE3 4.12Å; V68-W81 HydrophobicContact CG1-CE3 3.98Å; V68-W81 HydrophobicContact CG1-CZ3 4.27Å; V68-W81 PolarHBondContact N-O 2.72Å; V68-W81 PolarHBondContact O-N 3.39Å; V68-F83 HydrophobicContact CB-CE2 4.39Å; V68-F83 HydrophobicContact CG2-CD2 4.34Å; V68-F83 HydrophobicContact CG2-CE2 3.91Å; V68-I99 HydrophobicContact CG2-CD1 3.99Å; V68-I99 HydrophobicContact CG2-CG2 4.35Å; V68-V108 HydrophobicContact CG2-CG2 4.39Å |
| 69 | V | 73.3 | Confident | 65.1 | Low | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.073 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113 | -175.8 | -177 | 0 | 0 | 0 | 0 | 108.8 | L57 A58 Q67 R71 G79 D80 | L57-V69 CarbonylContact C-O 3.56Å; L57-V69 VanDerWaalsContact CA-O 3.27Å; L57-V69 WeakPolarHBondContact CA-O 3.47Å; A58-V69 PolarHBondContact N-O 3.33Å; A58-V69 PolarHBondContact O-N 3.39Å; Q67-V69 HydrophobicContact CG-CG2 3.71Å; V69-R71 HydrophobicContact CG1-CG 4.18Å; V69-G79 CarbonylContact C-O 3.58Å; V69-G79 VanDerWaalsContact CA-O 3.3Å; V69-G79 WeakPolarHBondContact CA-O 3.23Å; V69-D80 WeakPolarHBondContact CG2-OD1 3.43Å |
| 70 | A | 67.9 | Low | 64.2 | Low | 23 Ų | 23 | 35.6 Ų | 35.6 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F56 L57 T78 G79 W81 | F56-A70 CarbonylContact O-C 3.52Å; F56-A70 WeakPolarHBondContact O-CA 3.49Å; L57-A70 HydrophobicContact CD1-CB 4.25Å; A70-T78 CarbonylContact O-C 3.56Å; A70-T78 WeakPolarHBondContact O-CA 2.99Å; A70-G79 PolarHBondContact N-O 2.73Å; A70-G79 PolarHBondContact O-N 2.8Å; A70-W81 HydrophobicContact CB-CH2 3.95Å; A70-W81 HydrophobicContact CB-CZ3 3.65Å |
| 71 | R | 61.1 | Low | 63.8 | Low | 136 Ų | 136 | 36.4 Ų | 36.4 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.6 | 174.1 | -64.3 | -177.5 | -175.6 | 179.8 | -0.1 | 111 | T55 F56 V69 F77 | T55-R71 CarbonylContact C-O 3.56Å; T55-R71 VanDerWaalsContact CA-O 3.25Å; T55-R71 WeakPolarHBondContact CA-O 3.18Å; F56-R71 PolarHBondContact N-O 3.26Å; F56-R71 PolarHBondContact O-N 2.85Å; V69-R71 HydrophobicContact CG1-CG 4.18Å; R71-F77 VanDerWaalsContact CA-O 3.31Å; R71-F77 WeakPolarHBondContact CA-O 3.49Å |
| 72 | N | 51.4 | Low | 63.5 | Low | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | trans | -92.7 | 159.3 | 163.5 | -165.5 | -24.5 | 0 | 0 | 0 | 109.1 | T55 N74 G75 F77 D1077 | T55-N72 HydrophobicContact CG2-CB 4.01Å; N72-N74 PolarHBondContact O-N 2.85Å; N72-N74 VanDerWaalsContact O-N 3.12Å; N72-N74 PolarHBondContact OD1-ND2 3.36Å; N72-G75 PolarHBondContact O-N 3.31Å; N72-F77 HydrophobicContact CB-CB 4.01Å; N72-F77 PolarHBondContact N-O 2.54Å; N72-D1077 PolarHBondContact ND2-OD1 3.16Å; N72-D1077 PolarHBondContact ND2-OD2 3.11Å | ||
| 73 | W | 44.3 | Very low | 63.6 | Low | 150 Ų | 150 | 38.9 Ų | 38.9 | 57% | 0.568 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.2 | -174.4 | 120.2 | -69.5 | 0 | 0 | 0 | 110.4 | A54 G75 D2163 V2164 | A54-W73 HydrophobicContact CB-CB 3.71Å; A54-W73 HydrophobicContact CB-CG 4.39Å; A54-W73 WeakPolarHBondContact O-CA 3.26Å; A54-W73 WeakPolarHBondContact O-CB 3.34Å; A54-W73 PolarHBondContact O-N 2.93Å; W73-G75 PolarHBondContact O-N 2.68Å; W73-D2163 PolarHBondContact NE1-O 3.17Å; W73-V2164 HydrophobicContact CD2-CG2 3.42Å; W73-V2164 VanDerWaalsContact CD2-CG2 3.42Å; W73-V2164 HydrophobicContact CE3-CG2 3.66Å; W73-V2164 HydrophobicContact CG-CG2 4.03Å; W73-V2164 HydrophobicContact CH2-CG2 3.79Å; W73-V2164 HydrophobicContact CZ2-CG2 3.55Å; W73-V2164 HydrophobicContact CZ3-CG2 3.84Å; W73-V2164 WeakPolarHBondContact O-CG1 3.21Å; W73-V2164 WeakPolarHBondContact O-CG2 2.93Å |
| 74 | N | 44 | Very low | 63.8 | Low | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -2.6 | 177.8 | -36.3 | -73.4 | 0 | 0 | 0 | 114.7 | N72 N76 T1075 D2163 | N72-N74 PolarHBondContact O-N 2.85Å; N72-N74 VanDerWaalsContact O-N 3.12Å; N72-N74 PolarHBondContact OD1-ND2 3.36Å; N74-N76 HydrophobicContact CB-CB 4.19Å; N74-N76 WeakPolarHBondContact CB-ND2 3.35Å; N74-N76 PolarHBondContact O-N 3.38Å; N74-N76 VanDerWaalsContact O-N 3.08Å; N74-N76 PolarHBondContact O-ND2 3.24Å; N74-N76 PolarHBondContact O-OD1 3.19Å; N74-T1075 PolarHBondContact ND2-O 3.03Å; N74-T1075 WeakPolarHBondContact OD1-CB 3.38Å; N74-D2163 WeakPolarHBondContact CA-O 3.41Å; N74-D2163 HydrophobicContact CB-CB 4.12Å; N74-D2163 WeakPolarHBondContact OD1-CB 3.4Å; N74-D2163 PolarHBondContact OD1-O 3.03Å |
| 75 | G | 44.6 | Very low | 63.9 | Low | 29 Ų | 29 | 40.9 Ų | 40.9 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 69.3 | 0.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N72 W73 T78 | N72-G75 PolarHBondContact O-N 3.31Å; W73-G75 PolarHBondContact O-N 2.68Å; G75-T78 VanDerWaalsContact O-CG2 3.31Å; G75-T78 WeakPolarHBondContact O-CG2 3.2Å |
| 76 | N | 47.9 | Very low | 63.6 | Low | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | trans | -90.5 | -52 | -159.2 | -76 | -27.1 | 0 | 0 | 0 | 113.6 | N74 T78 M1042 K1043 | N74-N76 HydrophobicContact CB-CB 4.19Å; N74-N76 WeakPolarHBondContact CB-ND2 3.35Å; N74-N76 PolarHBondContact O-N 3.38Å; N74-N76 VanDerWaalsContact O-N 3.08Å; N74-N76 PolarHBondContact O-ND2 3.24Å; N74-N76 PolarHBondContact O-OD1 3.19Å; N76-T78 PolarHBondContact O-N 3.37Å; N76-M1042 PolarHBondContact ND2-O 3.05Å; N76-K1043 HydrophobicContact CB-CB 3.9Å; N76-K1043 HydrophobicContact CB-CG 3.9Å; N76-K1043 WeakPolarHBondContact CB-O 3.38Å; N76-K1043 VanDerWaalsContact CG-CA 3.43Å; N76-K1043 PolarHBondContact ND2-O 3.03Å; N76-K1043 WeakPolarHBondContact O-CD 3.36Å; N76-K1043 PolarHBondContact O-NZ 2.96Å | ||
| 77 | F | 47.9 | Very low | 63.1 | Low | 34 Ų | 34 | 47.3 Ų | 47.3 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | trans | -68.1 | 123.4 | 164.8 | -101 | -108 | 0 | 0 | 0 | 109 | R71 N72 E1044 D1077 T1078 | R71-F77 VanDerWaalsContact CA-O 3.31Å; R71-F77 WeakPolarHBondContact CA-O 3.49Å; N72-F77 HydrophobicContact CB-CB 4.01Å; N72-F77 PolarHBondContact N-O 2.54Å; F77-E1044 WeakPolarHBondContact CE2-OE1 3.47Å; F77-D1077 HydrophobicContact CD1-CB 4Å; F77-D1077 HydrophobicContact CD2-CB 3.83Å; F77-D1077 HydrophobicContact CE1-CB 3.78Å; F77-D1077 HydrophobicContact CE2-CB 3.61Å; F77-D1077 HydrophobicContact CG-CB 4.03Å; F77-D1077 WeakPolarHBondContact CG-OD2 3.23Å; F77-D1077 HydrophobicContact CZ-CB 3.59Å; F77-T1078 WeakPolarHBondContact CE2-OG1 3.46Å; F77-T1078 VanDerWaalsContact CZ-OG1 3.25Å; F77-T1078 WeakPolarHBondContact CZ-OG1 2.9Å | ||
| 78 | T | 51.2 | Low | 62.6 | Low | 74 Ų | 74 | 49.3 Ų | 49.3 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 84.5 | -177.4 | 55 | 0 | 0 | 0 | 0 | 110.4 | A70 G75 N76 D80 | A70-T78 CarbonylContact O-C 3.56Å; A70-T78 WeakPolarHBondContact O-CA 2.99Å; G75-T78 VanDerWaalsContact O-CG2 3.31Å; G75-T78 WeakPolarHBondContact O-CG2 3.2Å; N76-T78 PolarHBondContact O-N 3.37Å; T78-D80 PolarHBondContact O-N 3.23Å |
| 79 | G | 56.9 | Low | 62.6 | Low | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 95.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V69 A70 W81 | V69-G79 CarbonylContact C-O 3.58Å; V69-G79 VanDerWaalsContact CA-O 3.3Å; V69-G79 WeakPolarHBondContact CA-O 3.23Å; A70-G79 PolarHBondContact N-O 2.73Å; A70-G79 PolarHBondContact O-N 2.8Å; G79-W81 VanDerWaalsContact C-CE3 3.49Å; G79-W81 VanDerWaalsContact O-CZ3 3.24Å; G79-W81 WeakPolarHBondContact O-CZ3 3.42Å |
| 80 | D | 64.9 | Low | 62.7 | Low | 67 Ų | 67 | 49.6 Ų | 49.6 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 75.7 | -172 | -130 | 40.7 | 0 | 0 | 0 | 111.2 | Q67 V69 T78 | Q67-D80 PolarHBondContact NE2-OD1 3.39Å; Q67-D80 PolarHBondContact NE2-OD2 3.06Å; V69-D80 WeakPolarHBondContact CG2-OD1 3.43Å; T78-D80 PolarHBondContact O-N 3.23Å |
| 81 | W | 73 | Confident | 63 | Low | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106.5 | -173.4 | -54.5 | -89.4 | 0 | 0 | 0 | 111.8 | Q67 V68 A70 G79 F83 P106 F124 | Q67-W81 WeakPolarHBondContact CA-O 3.33Å; V68-W81 HydrophobicContact CB-CB 4.47Å; V68-W81 HydrophobicContact CB-CE3 4.12Å; V68-W81 HydrophobicContact CG1-CE3 3.98Å; V68-W81 HydrophobicContact CG1-CZ3 4.27Å; V68-W81 PolarHBondContact N-O 2.72Å; V68-W81 PolarHBondContact O-N 3.39Å; A70-W81 HydrophobicContact CB-CH2 3.95Å; A70-W81 HydrophobicContact CB-CZ3 3.65Å; G79-W81 VanDerWaalsContact C-CE3 3.49Å; G79-W81 VanDerWaalsContact O-CZ3 3.24Å; G79-W81 WeakPolarHBondContact O-CZ3 3.42Å; W81-F83 HydrophobicContact CB-CD2 4.45Å; W81-F83 HydrophobicContact CB-CE2 3.5Å; W81-F83 VanDerWaalsContact CB-CE2 3.5Å; W81-F83 HydrophobicContact CB-CZ 3.78Å; W81-F83 WeakPolarHBondContact O-CD2 3.35Å; W81-F83 WeakPolarHBondContact O-CE2 3.1Å; W81-P106 HydrophobicContact CB-CG 4.06Å; W81-P106 HydrophobicContact CD2-CG 3.34Å; W81-P106 VanDerWaalsContact CE2-CD 3.49Å; W81-P106 HydrophobicContact CE3-CG 3.73Å; W81-P106 HydrophobicContact CG-CG 3.52Å; W81-P106 HydrophobicContact CH2-CG 4.4Å; W81-P106 HydrophobicContact CZ2-CG 4.1Å; W81-P106 HydrophobicContact CZ3-CG 4.23Å; W81-F124 HydrophobicContact CH2-CZ 4.2Å; W81-F124 HydrophobicContact CZ2-CE2 4.32Å; W81-F124 HydrophobicContact CZ2-CZ 4.37Å |
| 82 | K | 75 | Confident | 63.4 | Low | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.2 | 175.3 | -51.5 | -151.4 | -169.7 | -138.9 | 0 | 112.2 | E62 Q67 | E62-K82 IonicContact OE2-NZ 2.75Å; E62-K82 PolarHBondContact OE2-NZ 3.04Å; Q67-K82 HydrophobicContact CB-CD 4.36Å; Q67-K82 HydrophobicContact CB-CG 4.06Å; Q67-K82 HydrophobicContact CG-CD 4.45Å; Q67-K82 HydrophobicContact CG-CG 4.01Å |
| 83 | F | 78.2 | Confident | 64.6 | Low | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121 | -178.4 | -59.8 | -86.5 | 0 | 0 | 0 | 110.7 | I66 V68 W81 P106 V108 C115 | I66-F83 PolarHBondContact N-O 2.74Å; I66-F83 PolarHBondContact O-N 2.74Å; V68-F83 HydrophobicContact CB-CE2 4.39Å; V68-F83 HydrophobicContact CG2-CD2 4.34Å; V68-F83 HydrophobicContact CG2-CE2 3.91Å; W81-F83 HydrophobicContact CB-CD2 4.45Å; W81-F83 HydrophobicContact CB-CE2 3.5Å; W81-F83 VanDerWaalsContact CB-CE2 3.5Å; W81-F83 HydrophobicContact CB-CZ 3.78Å; W81-F83 WeakPolarHBondContact O-CD2 3.35Å; W81-F83 WeakPolarHBondContact O-CE2 3.1Å; F83-P106 HydrophobicContact CZ-CB 4.18Å; F83-P106 HydrophobicContact CZ-CG 4.13Å; F83-P106 VanDerWaalsContact CZ-O 3.31Å; F83-P106 WeakPolarHBondContact CZ-O 3.18Å; F83-V108 HydrophobicContact CB-CB 4.31Å; F83-V108 HydrophobicContact CB-CG1 4.39Å; F83-V108 HydrophobicContact CD1-CB 3.69Å; F83-V108 HydrophobicContact CD1-CG2 3.94Å; F83-V108 HydrophobicContact CD2-CB 3.97Å; F83-V108 HydrophobicContact CD2-CG2 3.51Å; F83-V108 HydrophobicContact CE1-CB 3.91Å; F83-V108 HydrophobicContact CE1-CG2 3.79Å; F83-V108 HydrophobicContact CE2-CB 4.19Å; F83-V108 HydrophobicContact CE2-CG2 3.36Å; F83-V108 HydrophobicContact CG-CB 3.71Å; F83-V108 HydrophobicContact CG-CG1 4.26Å; F83-V108 HydrophobicContact CG-CG2 3.8Å; F83-V108 HydrophobicContact CZ-CB 4.16Å; F83-V108 HydrophobicContact CZ-CG2 3.51Å; F83-C115 HydrophobicContact CB-CB 3.91Å; F83-C115 HydrophobicContact CD1-CB 3.91Å; F83-C115 HydrophobicContact CG-CB 4.36Å |
| 84 | H | 73.4 | Confident | 66.3 | Low | 89 Ų | 89 | 49.6 Ų | 49.6 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.9 | -176.2 | -167.5 | 57.4 | 0 | 0 | 0 | 111.5 | N65 | N65-H84 PolarHBondContact OD1-ND1 3.48Å |
| 85 | T | 70.7 | Confident | 68.3 | Low | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | trans | -73.1 | 161.9 | 176.2 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | D64 F87 I89 I110 | D64-T85 WeakPolarHBondContact O-CB 3.43Å; D64-T85 WeakPolarHBondContact O-CG2 3.33Å; D64-T85 PolarHBondContact O-OG1 2.92Å; T85-F87 VanDerWaalsContact CB-O 3.28Å; T85-F87 WeakPolarHBondContact CB-O 3.46Å; T85-F87 PolarHBondContact OG1-O 3.03Å; T85-F87 VanDerWaalsContact OG1-O 3.07Å; T85-I89 HydrophobicContact CG2-CD1 3.58Å; T85-I89 HydrophobicContact CG2-CG1 4.11Å; T85-I89 HydrophobicContact CG2-CG2 4.25Å; T85-I110 HydrophobicContact CG2-CD1 3.79Å | ||
| 86 | Q | 67.7 | Low | 70.3 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -95.8 | -5.3 | 170.4 | -62.3 | -173.3 | 28.8 | 0 | 0 | 113 | ||
| 87 | F | 73.6 | Confident | 72.2 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -161.6 | 148.3 | -174.6 | 42.7 | -96.6 | 0 | 0 | 0 | 108.8 | T85 I89 H95 I110 D111 | T85-F87 VanDerWaalsContact CB-O 3.28Å; T85-F87 WeakPolarHBondContact CB-O 3.46Å; T85-F87 PolarHBondContact OG1-O 3.03Å; T85-F87 VanDerWaalsContact OG1-O 3.07Å; F87-I89 HydrophobicContact CD2-CG2 3.79Å; F87-I89 HydrophobicContact CE2-CG2 3.71Å; F87-I89 PolarHBondContact O-N 2.92Å; F87-H95 AromaticContact CD2-CE1 3.82Å; F87-H95 AromaticContact CE2-CE1 3.66Å; F87-H95 AromaticContact CE2-ND1 3.55Å; F87-I110 HydrophobicContact CE2-CG2 4.17Å; F87-I110 HydrophobicContact CZ-CG2 4.11Å; F87-D111 VanDerWaalsContact CE2-OD2 3.27Å; F87-D111 WeakPolarHBondContact CE2-OD2 3.42Å; F87-D111 HydrophobicContact CZ-CB 4.13Å; F87-D111 VanDerWaalsContact CZ-OD2 3.27Å; F87-D111 WeakPolarHBondContact CZ-OD2 3.43Å |
| 88 | P | 69.3 | Low | 74.1 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -65.6 | 132.7 | 179.4 | 28.1 | -34.7 | 0 | 0 | 0 | 111 | D64 | D64-P88 WeakPolarHBondContact OD1-CA 3.39Å; D64-P88 VanDerWaalsContact OD1-CB 3.26Å; D64-P88 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 89 | I | 79.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -106.3 | 14.6 | -176.8 | 59.8 | -175.1 | 0 | 0 | 0 | 112.8 | F38 L61 D64 I66 T85 F87 H95 I110 | F38-I89 HydrophobicContact CE1-CD1 4.48Å; F38-I89 HydrophobicContact CZ-CB 4.16Å; F38-I89 HydrophobicContact CZ-CD1 3.92Å; F38-I89 HydrophobicContact CZ-CG1 4.07Å; L61-I89 HydrophobicContact CD1-CD1 3.73Å; L61-I89 HydrophobicContact CD1-CG1 3.68Å; D64-I89 PolarHBondContact OD1-N 3.41Å; I66-I89 HydrophobicContact CD1-CD1 3.98Å; I66-I89 HydrophobicContact CG1-CD1 3.86Å; T85-I89 HydrophobicContact CG2-CD1 3.58Å; T85-I89 HydrophobicContact CG2-CG1 4.11Å; T85-I89 HydrophobicContact CG2-CG2 4.25Å; F87-I89 HydrophobicContact CD2-CG2 3.79Å; F87-I89 HydrophobicContact CE2-CG2 3.71Å; F87-I89 PolarHBondContact O-N 2.92Å; I89-H95 HydrophobicContact CB-CB 4.46Å; I89-H95 HydrophobicContact CG2-CB 4.28Å; I89-I110 HydrophobicContact CG2-CG2 4.46Å |
| 90 | N | 75.1 | Confident | 76.9 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | trans | -105.5 | 21.8 | 170.7 | 59.6 | 39.4 | 0 | 0 | 0 | 113.1 | T40 L42 K43 D64 V92 | T40-N90 CarbonylContact O-C 3.49Å; T40-N90 WeakPolarHBondContact O-CA 3.29Å; L42-N90 WeakPolarHBondContact O-CB 3.19Å; K43-N90 WeakPolarHBondContact CD-ND2 3.27Å; D64-N90 PolarHBondContact OD1-ND2 2.68Å; D64-N90 PolarHBondContact OD2-ND2 2.87Å; N90-V92 VanDerWaalsContact C-N 3.31Å; N90-V92 PolarHBondContact O-N 2.9Å | ||
| 91 | D | 74.4 | Confident | 77.2 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -90.6 | 11.3 | -170.8 | 79.2 | -8.1 | 0 | 0 | 0 | 114.2 | K93 H95 | D91-K93 PolarHBondContact O-N 3.42Å; D91-K93 WeakPolarHBondContact OD1-CB 3.38Å; D91-K93 WeakPolarHBondContact OD1-CG 3.42Å; D91-K93 PolarHBondContact OD1-N 2.62Å; D91-K93 IonicContact OD1-NZ 3.34Å; D91-K93 IonicContact OD2-NZ 3.84Å; D91-K93 PolarHBondContact OD2-NZ 2.83Å; D91-H95 IonicContact OD1-NE2 3.72Å; D91-H95 PolarHBondContact OD1-NE2 2.93Å |
| 92 | V | 69.4 | Low | 76.8 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 33% | 0.333 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 61.8 | 26.6 | -176.8 | -162.6 | 0 | 0 | 0 | 0 | 113.1 | K39 T40 N90 F182 | K39-V92 WeakPolarHBondContact CE-O 3.36Å; K39-V92 HydrophobicContact CG-CG1 4.46Å; T40-V92 WeakPolarHBondContact O-CA 3.46Å; T40-V92 PolarHBondContact O-N 2.87Å; T40-V92 VanDerWaalsContact O-N 3.12Å; N90-V92 VanDerWaalsContact C-N 3.31Å; N90-V92 PolarHBondContact O-N 2.9Å; V92-F182 HydrophobicContact CG1-CB 4.06Å; V92-F182 HydrophobicContact CG1-CD1 3.74Å; V92-F182 HydrophobicContact CG1-CE1 4.46Å; V92-F182 HydrophobicContact CG1-CG 4.04Å |
| 93 | K | 76.5 | Confident | 76 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 53% | 0.53 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -102.3 | -179.8 | 162.2 | -58.2 | -174.5 | -165.9 | 65.7 | 0 | 111.9 | K39 D91 | K39-K93 VanDerWaalsContact CA-O 3.25Å; K39-K93 WeakPolarHBondContact CA-O 3.41Å; K39-K93 WeakPolarHBondContact CB-O 3.32Å; K39-K93 WeakPolarHBondContact CG-O 3.4Å; D91-K93 PolarHBondContact O-N 3.42Å; D91-K93 WeakPolarHBondContact OD1-CB 3.38Å; D91-K93 WeakPolarHBondContact OD1-CG 3.42Å; D91-K93 PolarHBondContact OD1-N 2.62Å; D91-K93 IonicContact OD1-NZ 3.34Å; D91-K93 IonicContact OD2-NZ 3.84Å; D91-K93 PolarHBondContact OD2-NZ 2.83Å |
| 94 | H | 79.4 | Confident | 74.8 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | trans | -92.2 | 131.1 | 179.3 | -63.4 | -112 | 0 | 0 | 0 | 109.6 | E37 F38 M153 | E37-H94 IonicContact OE1-CG 3.54Å; E37-H94 IonicContact OE1-ND1 2.72Å; E37-H94 PolarHBondContact OE1-ND1 2.95Å; F38-H94 CarbonylContact O-C 3.44Å; F38-H94 WeakPolarHBondContact O-CA 3.35Å; H94-M153 PolarHBondContact CE1-SD 2.89Å; H94-M153 PolarHBondContact ND1-SD 3.33Å; H94-M153 VanDerWaalsContact ND1-SD 3.37Å | ||
| 95 | H | 85.1 | Confident | 74.5 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.3 | 177.8 | -68.6 | -65 | 0 | 0 | 0 | 110.7 | E37 F38 F87 I89 D91 D111 | E37-H95 CarbonylContact C-O 3.54Å; E37-H95 WeakPolarHBondContact CA-O 3.43Å; F38-H95 HydrophobicContact CD1-CB 4.45Å; F38-H95 HydrophobicContact CE1-CB 4.06Å; F38-H95 HydrophobicContact CZ-CB 4.44Å; F38-H95 PolarHBondContact N-O 3.02Å; F38-H95 PolarHBondContact O-N 3.37Å; F87-H95 AromaticContact CD2-CE1 3.82Å; F87-H95 AromaticContact CE2-CE1 3.66Å; F87-H95 AromaticContact CE2-ND1 3.55Å; I89-H95 HydrophobicContact CB-CB 4.46Å; I89-H95 HydrophobicContact CG2-CB 4.28Å; D91-H95 IonicContact OD1-NE2 3.72Å; D91-H95 PolarHBondContact OD1-NE2 2.93Å; H95-D111 WeakPolarHBondContact CA-OD1 3.15Å; H95-D111 IonicContact CE1-OD2 3.63Å; H95-D111 IonicContact CG-OD2 3.14Å; H95-D111 IonicContact ND1-OD2 2.67Å; H95-D111 PolarHBondContact ND1-OD2 3.1Å |
| 96 | T | 88.7 | Confident | 74.5 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.6 | 174 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | L36 I110 D111 | L36-T96 CarbonylContact O-C 3.47Å; L36-T96 WeakPolarHBondContact O-CA 3.3Å; T96-I110 CarbonylContact O-C 2.81Å; T96-I110 WeakPolarHBondContact O-CA 3.3Å; T96-D111 PolarHBondContact N-OD1 3.26Å; T96-D111 PolarHBondContact O-N 3.37Å |
| 97 | V | 87.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.6 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | R35 L36 F38 I66 I99 V108 S109 I110 | R35-V97 CarbonylContact C-O 3.53Å; R35-V97 VanDerWaalsContact CA-O 3.26Å; R35-V97 WeakPolarHBondContact CA-O 3.47Å; L36-V97 HydrophobicContact CD1-CB 3.73Å; L36-V97 HydrophobicContact CD1-CG2 3.78Å; L36-V97 HydrophobicContact CG-CB 4.02Å; L36-V97 PolarHBondContact N-O 3.08Å; L36-V97 PolarHBondContact O-N 3.3Å; F38-V97 HydrophobicContact CD1-CG2 4.35Å; F38-V97 HydrophobicContact CE1-CG2 3.83Å; I66-V97 HydrophobicContact CD1-CB 4.12Å; I66-V97 HydrophobicContact CD1-CG1 3.56Å; I66-V97 HydrophobicContact CD1-CG2 3.37Å; V97-I99 HydrophobicContact CG1-CG1 4.16Å; V97-V108 HydrophobicContact CG1-CG1 4.04Å; V97-S109 CarbonylContact C-O 3.59Å; V97-S109 WeakPolarHBondContact CA-O 3.43Å; V97-I110 HydrophobicContact CG1-CG1 4.47Å; V97-I110 HydrophobicContact CG2-CG1 4.43Å |
| 98 | A | 87.5 | Confident | 75.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I34 R35 V108 S109 | I34-A98 CarbonylContact O-C 2.81Å; I34-A98 WeakPolarHBondContact O-CA 3.38Å; R35-A98 HydrophobicContact CB-CB 4.44Å; R35-A98 HydrophobicContact CG-CB 3.81Å; A98-V108 CarbonylContact O-C 3.54Å; A98-V108 WeakPolarHBondContact O-CA 3.36Å; A98-S109 PolarHBondContact N-O 2.99Å; A98-S109 PolarHBondContact O-N 2.88Å |
| 99 | I | 85.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.4 | -177.7 | -48.4 | 177.8 | 0 | 0 | 0 | 106.2 | E33 I34 V59 V68 V97 P106 E107 V108 | E33-I99 CarbonylContact C-O 3.5Å; E33-I99 WeakPolarHBondContact CA-O 3.34Å; I34-I99 HydrophobicContact CB-CB 4.23Å; I34-I99 PolarHBondContact N-O 2.79Å; I34-I99 PolarHBondContact O-N 2.83Å; V59-I99 HydrophobicContact CB-CD1 4.39Å; V59-I99 HydrophobicContact CG1-CD1 3.83Å; V59-I99 HydrophobicContact CG2-CD1 3.57Å; V68-I99 HydrophobicContact CG2-CD1 3.99Å; V68-I99 HydrophobicContact CG2-CG2 4.35Å; V97-I99 HydrophobicContact CG1-CG1 4.16Å; I99-P106 HydrophobicContact CG2-CB 4.19Å; I99-E107 CarbonylContact C-O 3.53Å; I99-E107 VanDerWaalsContact CA-O 3.3Å; I99-E107 WeakPolarHBondContact CA-O 3.39Å; I99-V108 HydrophobicContact CB-CG2 4.23Å; I99-V108 HydrophobicContact CG1-CG1 4.44Å; I99-V108 HydrophobicContact CG1-CG2 3.97Å; I99-V108 HydrophobicContact CG2-CG2 3.93Å |
| 100 | V | 80.7 | Confident | 76.6 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.8 | 176.5 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | E33 P106 E107 | E33-V100 HydrophobicContact CB-CG2 4.5Å; E33-V100 HydrophobicContact CG-CG2 4.24Å; V100-P106 CarbonylContact O-C 3.52Å; V100-P106 WeakPolarHBondContact O-CA 3.03Å; V100-E107 HydrophobicContact CB-CB 4.44Å; V100-E107 PolarHBondContact N-O 3.35Å; V100-E107 PolarHBondContact O-N 3.08Å |
| 101 | L | 71.1 | Confident | 77 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 106.8 | 171.4 | -72.2 | 157.9 | 0 | 0 | 0 | 108.5 | S31 V32 L57 I105 P106 | S31-L101 CarbonylContact C-O 3.58Å; S31-L101 WeakPolarHBondContact CA-O 3.47Å; S31-L101 WeakPolarHBondContact CB-O 3.34Å; V32-L101 HydrophobicContact CB-CB 4.17Å; V32-L101 HydrophobicContact CB-CD1 4.14Å; V32-L101 HydrophobicContact CG1-CD1 4.36Å; V32-L101 PolarHBondContact N-O 2.83Å; V32-L101 PolarHBondContact O-N 2.6Å; L57-L101 HydrophobicContact CD2-CD1 3.71Å; L101-I105 WeakPolarHBondContact CA-O 3.41Å; L101-P106 HydrophobicContact CD2-CB 3.71Å; L101-P106 HydrophobicContact CD2-CG 4.14Å; L101-P106 HydrophobicContact CG-CB 4.4Å |
| 102 | S | 64.6 | Low | 77.2 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.2 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | G104 I105 | S102-G104 PolarHBondContact O-N 3.02Å; S102-I105 PolarHBondContact N-O 3.02Å; S102-I105 WeakPolarHBondContact O-CB 3.35Å; S102-I105 PolarHBondContact O-N 3.18Å |
| 103 | H | 57.9 | Low | 77.5 | Confident | 145 Ų | 145 | 46.2 Ų | 46.2 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 42.3 | -175.3 | -50.1 | -86.7 | 0 | 0 | 0 | 113.2 | I105 | H103-I105 VanDerWaalsContact C-N 3.26Å; H103-I105 PolarHBondContact O-N 2.94Å |
| 104 | G | 54.3 | Low | 77.5 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -0.7 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | S102 P106 F124 | S102-G104 PolarHBondContact O-N 3.02Å; G104-P106 WeakPolarHBondContact O-CD 3.33Å; G104-F124 WeakPolarHBondContact O-CE2 3.39Å |
| 105 | I | 65.9 | Low | 77 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.8 | 178.8 | -56.5 | 174.9 | 0 | 0 | 0 | 109.7 | L101 S102 H103 | L101-I105 WeakPolarHBondContact CA-O 3.41Å; S102-I105 PolarHBondContact N-O 3.02Å; S102-I105 WeakPolarHBondContact O-CB 3.35Å; S102-I105 PolarHBondContact O-N 3.18Å; H103-I105 VanDerWaalsContact C-N 3.26Å; H103-I105 PolarHBondContact O-N 2.94Å |
| 106 | P | 72.2 | Confident | 75.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.1 | 173.8 | 25.2 | -27 | 0 | 0 | 0 | 112.7 | W81 F83 I99 V100 L101 G104 | W81-P106 HydrophobicContact CB-CG 4.06Å; W81-P106 HydrophobicContact CD2-CG 3.34Å; W81-P106 VanDerWaalsContact CE2-CD 3.49Å; W81-P106 HydrophobicContact CE3-CG 3.73Å; W81-P106 HydrophobicContact CG-CG 3.52Å; W81-P106 HydrophobicContact CH2-CG 4.4Å; W81-P106 HydrophobicContact CZ2-CG 4.1Å; W81-P106 HydrophobicContact CZ3-CG 4.23Å; F83-P106 HydrophobicContact CZ-CB 4.18Å; F83-P106 HydrophobicContact CZ-CG 4.13Å; F83-P106 VanDerWaalsContact CZ-O 3.31Å; F83-P106 WeakPolarHBondContact CZ-O 3.18Å; I99-P106 HydrophobicContact CG2-CB 4.19Å; V100-P106 CarbonylContact O-C 3.52Å; V100-P106 WeakPolarHBondContact O-CA 3.03Å; L101-P106 HydrophobicContact CD2-CB 3.71Å; L101-P106 HydrophobicContact CD2-CG 4.14Å; L101-P106 HydrophobicContact CG-CB 4.4Å; G104-P106 WeakPolarHBondContact O-CD 3.33Å |
| 107 | E | 80 | Confident | 74 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.1 | 165.8 | -62.7 | -162.6 | 137 | 0 | 0 | 110 | I99 V100 M114 | I99-E107 CarbonylContact C-O 3.53Å; I99-E107 VanDerWaalsContact CA-O 3.3Å; I99-E107 WeakPolarHBondContact CA-O 3.39Å; V100-E107 HydrophobicContact CB-CB 4.44Å; V100-E107 PolarHBondContact N-O 3.35Å; V100-E107 PolarHBondContact O-N 3.08Å; E107-M114 HydrophobicContact CB-CE 4.1Å; E107-M114 HydrophobicContact CG-CE 4.37Å |
| 108 | V | 83.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.1 | 180 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | V68 F83 V97 A98 I99 I110 C115 | V68-V108 HydrophobicContact CG2-CG2 4.39Å; F83-V108 HydrophobicContact CB-CB 4.31Å; F83-V108 HydrophobicContact CB-CG1 4.39Å; F83-V108 HydrophobicContact CD1-CB 3.69Å; F83-V108 HydrophobicContact CD1-CG2 3.94Å; F83-V108 HydrophobicContact CD2-CB 3.97Å; F83-V108 HydrophobicContact CD2-CG2 3.51Å; F83-V108 HydrophobicContact CE1-CB 3.91Å; F83-V108 HydrophobicContact CE1-CG2 3.79Å; F83-V108 HydrophobicContact CE2-CB 4.19Å; F83-V108 HydrophobicContact CE2-CG2 3.36Å; F83-V108 HydrophobicContact CG-CB 3.71Å; F83-V108 HydrophobicContact CG-CG1 4.26Å; F83-V108 HydrophobicContact CG-CG2 3.8Å; F83-V108 HydrophobicContact CZ-CB 4.16Å; F83-V108 HydrophobicContact CZ-CG2 3.51Å; V97-V108 HydrophobicContact CG1-CG1 4.04Å; A98-V108 CarbonylContact O-C 3.54Å; A98-V108 WeakPolarHBondContact O-CA 3.36Å; I99-V108 HydrophobicContact CB-CG2 4.23Å; I99-V108 HydrophobicContact CG1-CG1 4.44Å; I99-V108 HydrophobicContact CG1-CG2 3.97Å; I99-V108 HydrophobicContact CG2-CG2 3.93Å; V108-I110 HydrophobicContact CG1-CG1 4.31Å; V108-C115 WeakPolarHBondContact O-CB 3.45Å; V108-C115 PolarHBondContact O-N 2.8Å |
| 109 | S | 85.7 | Confident | 70.4 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.2 | 169.8 | 67 | 0 | 0 | 0 | 0 | 111.7 | V97 A98 N113 | V97-S109 CarbonylContact C-O 3.59Å; V97-S109 WeakPolarHBondContact CA-O 3.43Å; A98-S109 PolarHBondContact N-O 2.99Å; A98-S109 PolarHBondContact O-N 2.88Å; S109-N113 CarbonylContact C-O 3.6Å; S109-N113 WeakPolarHBondContact CA-O 3.44Å |
| 110 | I | 84.2 | Confident | 68.2 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.6 | -177.7 | -54.4 | 175.9 | 0 | 0 | 0 | 108.8 | I66 T85 F87 I89 T96 V97 V108 G112 N113 | I66-I110 HydrophobicContact CD1-CD1 3.47Å; I66-I110 VanDerWaalsContact CD1-CD1 3.47Å; I66-I110 HydrophobicContact CD1-CG1 3.95Å; I66-I110 HydrophobicContact CG1-CD1 3.92Å; T85-I110 HydrophobicContact CG2-CD1 3.79Å; F87-I110 HydrophobicContact CE2-CG2 4.17Å; F87-I110 HydrophobicContact CZ-CG2 4.11Å; I89-I110 HydrophobicContact CG2-CG2 4.46Å; T96-I110 CarbonylContact O-C 2.81Å; T96-I110 WeakPolarHBondContact O-CA 3.3Å; V97-I110 HydrophobicContact CG1-CG1 4.47Å; V97-I110 HydrophobicContact CG2-CG1 4.43Å; V108-I110 HydrophobicContact CG1-CG1 4.31Å; I110-G112 PolarHBondContact O-N 3.13Å; I110-N113 PolarHBondContact N-O 3.4Å; I110-N113 WeakPolarHBondContact O-CB 3.43Å; I110-N113 PolarHBondContact O-N 3.39Å; I110-N113 PolarHBondContact O-ND2 2.86Å |
| 111 | D | 84.3 | Confident | 66.2 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 42.4 | -168.6 | -60.5 | -44.6 | 0 | 0 | 0 | 112.4 | F87 H95 T96 N113 | F87-D111 VanDerWaalsContact CE2-OD2 3.27Å; F87-D111 WeakPolarHBondContact CE2-OD2 3.42Å; F87-D111 HydrophobicContact CZ-CB 4.13Å; F87-D111 VanDerWaalsContact CZ-OD2 3.27Å; F87-D111 WeakPolarHBondContact CZ-OD2 3.43Å; H95-D111 WeakPolarHBondContact CA-OD1 3.15Å; H95-D111 IonicContact CE1-OD2 3.63Å; H95-D111 IonicContact CG-OD2 3.14Å; H95-D111 IonicContact ND1-OD2 2.67Å; H95-D111 PolarHBondContact ND1-OD2 3.1Å; T96-D111 PolarHBondContact N-OD1 3.26Å; T96-D111 PolarHBondContact O-N 3.37Å; D111-N113 VanDerWaalsContact C-N 3.3Å; D111-N113 PolarHBondContact O-N 3.42Å; D111-N113 PolarHBondContact O-ND2 3.32Å |
| 112 | G | 77 | Confident | 64.7 | Low | 70 Ų | 70 | 81.8 Ų | 81.8 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I110 | I110-G112 PolarHBondContact O-N 3.13Š|
| 113 | N | 76 | Confident | 63.6 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.6 | 179 | -53.7 | -95.4 | 0 | 0 | 0 | 110.3 | S109 I110 D111 C115 | S109-N113 CarbonylContact C-O 3.6Å; S109-N113 WeakPolarHBondContact CA-O 3.44Å; I110-N113 PolarHBondContact N-O 3.4Å; I110-N113 WeakPolarHBondContact O-CB 3.43Å; I110-N113 PolarHBondContact O-N 3.39Å; I110-N113 PolarHBondContact O-ND2 2.86Å; D111-N113 VanDerWaalsContact C-N 3.3Å; D111-N113 PolarHBondContact O-N 3.42Å; D111-N113 PolarHBondContact O-ND2 3.32Å; N113-C115 PolarHBondContact O-N 2.89Å |
| 114 | M | 75.9 | Confident | 63 | Low | 108 Ų | 108 | 80 Ų | 80 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 132.1 | 172.5 | -78 | -73.6 | -86.1 | 0 | 0 | 111.9 | E107 | E107-M114 HydrophobicContact CB-CE 4.1Å; E107-M114 HydrophobicContact CG-CE 4.37Å |
| 115 | C | 70 | Confident | 62.6 | Low | 19 Ų | 19 | 80.3 Ų | 80.3 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | trans | -88.2 | 141.2 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | F83 V108 N113 S117 | F83-C115 HydrophobicContact CB-CB 3.91Å; F83-C115 HydrophobicContact CD1-CB 3.91Å; F83-C115 HydrophobicContact CG-CB 4.36Å; V108-C115 WeakPolarHBondContact O-CB 3.45Å; V108-C115 PolarHBondContact O-N 2.8Å; N113-C115 PolarHBondContact O-N 2.89Å; C115-S117 PolarHBondContact O-N 2.82Å | ||
| 116 | Q | 58.2 | Low | 61.5 | Low | 152 Ų | 152 | 84 Ų | 84 | 71% | 0.71 | 44% | 0.443 | S | S | * | . | trans | -80 | 112.8 | 179.1 | -66.3 | -168.3 | -28.3 | 0 | 0 | 110.7 | ||||
| 117 | S | 53.3 | Low | 60 | Low | 63 Ų | 63 | 86 Ų | 86 | 44% | 0.441 | 46% | 0.457 | S | S | . | . | trans | -69 | 165.7 | 165 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | C115 | C115-S117 PolarHBondContact O-N 2.82Š| ||
| 118 | T | 47.5 | Very low | 58.1 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | trans | -135 | 6.6 | -174.6 | -10.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 119 | Y | 51 | Low | 56.2 | Low | 173 Ų | 173 | 89.1 Ų | 89.1 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | trans | -107.9 | 155.6 | -173.2 | -74.2 | -77.6 | 0 | 0 | 0 | 113.9 | ||||
| 120 | L | 39.6 | Very low | 54.2 | Low | 164 Ų | 164 | 90.5 Ų | 90.5 | 86% | 0.859 | 48% | 0.48 | S | S | * | . | trans | -87.7 | 169.4 | 171 | -94.9 | 70.7 | 0 | 0 | 0 | 110.7 | ||||
| 121 | Q | 37.7 | Very low | 52.1 | Low | 185 Ų | 185 | 92 Ų | 92 | 86% | 0.864 | 49% | 0.491 | S | S | * | . | trans | -55.8 | 137.1 | -178.7 | -65.1 | 169.7 | -81.3 | 0 | 0 | 113 | ||||
| 122 | L | 40.9 | Very low | 50.3 | Low | 139 Ų | 139 | 90.1 Ų | 90.1 | 73% | 0.728 | 48% | 0.48 | S | S | * | . | trans | -123.3 | 140.6 | 159.7 | -73.8 | 168.6 | 0 | 0 | 0 | 107.3 | ||||
| 123 | P | 40.7 | Very low | 48.7 | Very low | 72 Ų | 72 | 89.6 Ų | 89.6 | 47% | 0.468 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -76 | 130.1 | 177.7 | 31.3 | -32.9 | 0 | 0 | 0 | 110.4 | T1078 | P123-T1078 HydrophobicContact CG-CG2 4.28Š|
| 124 | F | 44.9 | Very low | 47.3 | Very low | 77 Ų | 77 | 89.5 Ų | 89.5 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 139.6 | 162.3 | -89.1 | -95 | 0 | 0 | 0 | 108.9 | W81 G104 | W81-F124 HydrophobicContact CH2-CZ 4.2Å; W81-F124 HydrophobicContact CZ2-CE2 4.32Å; W81-F124 HydrophobicContact CZ2-CZ 4.37Å; G104-F124 WeakPolarHBondContact O-CE2 3.39Å |
| 125 | D | 46.4 | Very low | 46.3 | Very low | 26 Ų | 26 | 84.5 Ų | 84.5 | 14% | 0.139 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 122.9 | 172.8 | -177.6 | -9.5 | 0 | 0 | 0 | 111 | S127 I128 K1009 D1077 T1079 | D125-S127 PolarHBondContact O-N 3.48Å; D125-S127 VanDerWaalsContact OD1-CB 3.29Å; D125-S127 WeakPolarHBondContact OD1-CB 3.41Å; D125-S127 PolarHBondContact OD1-N 2.9Å; D125-S127 PolarHBondContact OD1-OG 3.03Å; D125-S127 PolarHBondContact OD2-OG 2.82Å; D125-I128 HydrophobicContact CB-CD1 4.2Å; D125-I128 HydrophobicContact CB-CG1 4.38Å; D125-I128 PolarHBondContact O-N 2.86Å; D125-K1009 IonicContact OD2-NZ 2.69Å; D125-K1009 PolarHBondContact OD2-NZ 2.72Å; D125-D1077 WeakPolarHBondContact CB-O 3.14Å; D125-T1079 HydrophobicContact CB-CG2 3.75Å |
| 126 | E | 43.4 | Very low | 46 | Very low | 174 Ų | 174 | 83.8 Ų | 83.8 | 81% | 0.813 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8 | -178.7 | -59.7 | -168.6 | 143.3 | 0 | 0 | 113.6 | I128 | E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 2.83Å |
| 127 | S | 39.7 | Very low | 46.4 | Very low | 45 Ų | 45 | 76.9 Ų | 76.9 | 32% | 0.315 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.1 | 175 | 67 | 0 | 0 | 0 | 0 | 114.5 | D125 I129 K1009 | D125-S127 PolarHBondContact O-N 3.48Å; D125-S127 VanDerWaalsContact OD1-CB 3.29Å; D125-S127 WeakPolarHBondContact OD1-CB 3.41Å; D125-S127 PolarHBondContact OD1-N 2.9Å; D125-S127 PolarHBondContact OD1-OG 3.03Å; D125-S127 PolarHBondContact OD2-OG 2.82Å; S127-I129 PolarHBondContact O-N 3.12Å; S127-K1009 PolarHBondContact OG-NZ 3.17Å |
| 128 | I | 41.2 | Very low | 47.2 | Very low | 58 Ų | 58 | 74.5 Ų | 74.5 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | trans | -75.2 | 96.2 | -171.9 | -57.6 | 168.6 | 0 | 0 | 0 | 110.9 | D125 E126 D1077 | D125-I128 HydrophobicContact CB-CD1 4.2Å; D125-I128 HydrophobicContact CB-CG1 4.38Å; D125-I128 PolarHBondContact O-N 2.86Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 2.83Å; I128-D1077 HydrophobicContact CD1-CB 3.75Å; I128-D1077 WeakPolarHBondContact CD1-OD1 3.24Å | ||
| 129 | I | 42 | Very low | 48 | Very low | 106 Ų | 106 | 70.4 Ų | 70.4 | 54% | 0.544 | 36% | 0.361 | S | S | . | . | trans | -66.3 | 144.1 | 165.4 | -53.3 | 177 | 0 | 0 | 0 | 108.3 | S127 P131 | S127-I129 PolarHBondContact O-N 3.12Å; I129-P131 WeakPolarHBondContact O-CD 3.41Å | ||
| 130 | L | 43.9 | Very low | 48.3 | Very low | 55 Ų | 55 | 62.9 Ų | 62.9 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | trans | -106.1 | 78.6 | 174.6 | -66.9 | 169.9 | 0 | 0 | 0 | 111.3 | V32 L52 L132 | V32-L130 HydrophobicContact CG2-CD1 3.65Å; L52-L130 HydrophobicContact CD1-CD2 3.88Å; L52-L130 HydrophobicContact CD2-CB 4.26Å; L52-L130 HydrophobicContact CD2-CD2 4.33Å; L130-L132 PolarHBondContact O-N 3.01Å | ||
| 131 | P | 40.1 | Very low | 48.9 | Very low | 37 Ų | 37 | 58.9 Ų | 58.9 | 24% | 0.24 | 31% | 0.311 | C | S | . | . | trans | -76.4 | 111.4 | 174.7 | 32.3 | -34 | 0 | 0 | 0 | 110.6 | L52 I129 T133 | L52-P131 WeakPolarHBondContact CD2-O 3.16Å; I129-P131 WeakPolarHBondContact O-CD 3.41Å; P131-T133 HydrophobicContact CB-CG2 4.14Å; P131-T133 PolarHBondContact O-N 3.33Å; P131-T133 PolarHBondContact O-OG1 3.11Å | ||
| 132 | L | 47.6 | Very low | 49.2 | Very low | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 47.6 | 179.5 | -71.6 | 158.4 | 0 | 0 | 0 | 112.7 | V24 L50 L52 L130 L157 | V24-L132 HydrophobicContact CB-CB 3.88Å; V24-L132 HydrophobicContact CB-CD1 3.94Å; V24-L132 HydrophobicContact CG1-CD1 4.14Å; V24-L132 PolarHBondContact N-O 2.63Å; V24-L132 VanDerWaalsContact N-O 3.17Å; V24-L132 WeakPolarHBondContact O-CB 3.42Å; L50-L132 HydrophobicContact CD2-CD2 3.81Å; L52-L132 HydrophobicContact CD2-CD2 3.68Å; L52-L132 HydrophobicContact CD2-CG 3.99Å; L52-L132 HydrophobicContact CG-CD2 4.39Å; L130-L132 PolarHBondContact O-N 3.01Å; L132-L157 HydrophobicContact CD1-CD2 3.81Å |
| 133 | T | 42.2 | Very low | 49.3 | Very low | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -28.7 | -177.9 | 47.6 | 0 | 0 | 0 | 0 | 114 | R23 P131 | R23-T133 WeakPolarHBondContact CG-O 3.2Å; R23-T133 PolarHBondContact NE-O 3.21Å; P131-T133 HydrophobicContact CB-CG2 4.14Å; P131-T133 PolarHBondContact O-N 3.33Å; P131-T133 PolarHBondContact O-OG1 3.11Å |
| 134 | D | 48 | Very low | 49.4 | Very low | 54 Ų | 54 | 48.3 Ų | 48.3 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -103.2 | -1.4 | -164.7 | -86.2 | 55.1 | 0 | 0 | 0 | 114.4 | K51 | K51-D134 HydrophobicContact CB-CB 4.11Å; K51-D134 HydrophobicContact CD-CB 4.18Å; K51-D134 HydrophobicContact CG-CB 3.85Å; K51-D134 IonicContact NZ-OD2 3.9Å; K51-D134 PolarHBondContact NZ-OD2 2.93Å; K51-D134 WeakPolarHBondContact O-CB 3.44Å |
| 135 | G | 53.6 | Low | 49.4 | Very low | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | 107.1 | 168.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V22 K51 | V22-G135 CarbonylContact O-C 3.54Å; V22-G135 WeakPolarHBondContact O-CA 3.22Å; K51-G135 PolarHBondContact N-O 2.95Å; K51-G135 PolarHBondContact O-N 2.84Å | ||
| 136 | M | 64.1 | Low | 49.8 | Very low | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.7 | 175.4 | 176.7 | -167.6 | 65.7 | 0 | 0 | 108.6 | V22 L48 A49 L50 I138 L155 L162 | V22-M136 HydrophobicContact CB-CB 4.3Å; V22-M136 HydrophobicContact CB-CE 3.81Å; V22-M136 HydrophobicContact CG1-CE 3.97Å; V22-M136 HydrophobicContact CG2-CE 4.14Å; V22-M136 PolarHBondContact N-O 3.26Å; V22-M136 VanDerWaalsContact N-O 3.14Å; V22-M136 PolarHBondContact O-N 3.02Å; L48-M136 HydrophobicContact CD1-CG 3.87Å; L48-M136 HydrophobicContact CD1-SD 3.72Å; A49-M136 CarbonylContact O-C 3.4Å; A49-M136 VanDerWaalsContact O-CA 3.25Å; A49-M136 WeakPolarHBondContact O-CA 3.28Å; A49-M136 VanDerWaalsContact O-CG 3.3Å; A49-M136 WeakPolarHBondContact O-CG 3.49Å; L50-M136 HydrophobicContact CD2-CB 3.83Å; L50-M136 HydrophobicContact CD2-CG 3.56Å; L50-M136 HydrophobicContact CD2-SD 3.92Å; L50-M136 HydrophobicContact CG-CG 4.24Å; M136-I138 HydrophobicContact CE-CD1 3.73Å; M136-I138 HydrophobicContact CE-CG1 3.77Å; M136-I138 HydrophobicContact SD-CG1 4.49Å; M136-L155 HydrophobicContact CE-CD2 4.19Å; M136-L155 HydrophobicContact SD-CD2 4.17Å; M136-L162 HydrophobicContact CE-CB 4.44Å; M136-L162 HydrophobicContact CE-CD1 3.6Å; M136-L162 HydrophobicContact SD-CD1 3.48Å; M136-L162 WeakPolarHBondContact SD-CD1 3.43Å |
| 137 | S | 65.9 | Low | 50.5 | Low | 8 Ų | 8 | 47 Ų | 47 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.9 | 168.6 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | A49 G140 F141 | A49-S137 PolarHBondContact N-O 2.87Å; A49-S137 PolarHBondContact O-N 2.81Å; S137-G140 PolarHBondContact OG-O 2.94Å; S137-F141 PolarHBondContact OG-N 2.8Å |
| 138 | I | 70.9 | Confident | 52 | Low | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.6 | 175.8 | -56.5 | 174.7 | 0 | 0 | 0 | 107.1 | L48 M136 G140 I152 L155 L163 L170 F174 | L48-I138 HydrophobicContact CD1-CG1 4.23Å; M136-I138 HydrophobicContact CE-CD1 3.73Å; M136-I138 HydrophobicContact CE-CG1 3.77Å; M136-I138 HydrophobicContact SD-CG1 4.49Å; I138-G140 VanDerWaalsContact C-N 3.28Å; I138-G140 PolarHBondContact O-N 3.39Å; I138-I152 HydrophobicContact CG2-CD1 3.69Å; I138-L155 HydrophobicContact CD1-CD2 3.55Å; I138-L155 HydrophobicContact CG1-CD2 3.75Å; I138-L155 HydrophobicContact CG2-CD2 4.47Å; I138-L163 HydrophobicContact CD1-CD2 4.17Å; I138-L170 HydrophobicContact CD1-CD1 4.41Å; I138-L170 HydrophobicContact CD1-CD2 4.09Å; I138-F174 HydrophobicContact CB-CZ 3.89Å; I138-F174 HydrophobicContact CG2-CE1 4.14Å; I138-F174 HydrophobicContact CG2-CZ 3.77Å |
| 139 | G | 64.7 | Low | 53.1 | Low | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 78 | -0.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E46 L47 F148 | E46-G139 CarbonylContact O-C 3.6Å; E46-G139 VanDerWaalsContact O-C 3.29Å; E46-G139 WeakPolarHBondContact O-CA 3.48Å; L47-G139 PolarHBondContact O-N 2.93Å; G139-F148 WeakPolarHBondContact O-CB 3.45Å; G139-F148 PolarHBondContact O-N 3.48Å |
| 140 | G | 57.1 | Low | 54.4 | Low | 14 Ų | 14 | 46 Ų | 46 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | 144 | 127.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S137 I138 | S137-G140 PolarHBondContact OG-O 2.94Å; I138-G140 VanDerWaalsContact C-N 3.28Å; I138-G140 PolarHBondContact O-N 3.39Å | ||
| 141 | F | 52 | Low | 55.9 | Low | 80 Ų | 80 | 44 Ų | 44 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | trans | -104 | -12.3 | 166.3 | -168.6 | -115.1 | 0 | 0 | 0 | 111.3 | D19 E46 A49 F56 S137 Q143 | D19-F141 VanDerWaalsContact OD1-CD2 3.26Å; D19-F141 WeakPolarHBondContact OD1-CD2 3.28Å; D19-F141 WeakPolarHBondContact OD1-CE2 3.44Å; D19-F141 WeakPolarHBondContact OD2-CE2 3.23Å; E46-F141 PolarHBondContact OE1-N 3.32Å; A49-F141 HydrophobicContact CB-CB 3.94Å; F56-F141 AromaticContact CE2-CD1 3.77Å; F56-F141 HydrophobicContact CE2-CD1 3.77Å; F56-F141 HydrophobicContact CE2-CE1 4.32Å; S137-F141 PolarHBondContact OG-N 2.8Å; F141-Q143 PolarHBondContact O-N 2.96Å; F141-Q143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | S | 43.3 | Very low | 57.8 | Low | 26 Ų | 26 | 43.5 Ų | 43.5 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -72 | 110.5 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 113.6 | E46 E144 G145 | E46-S142 PolarHBondContact OE1-N 3Å; S142-E144 PolarHBondContact O-N 3.07Å; S142-E144 PolarHBondContact OG-N 2.8Å; S142-G145 PolarHBondContact O-N 2.97Å | ||
| 143 | Q | 43.6 | Very low | 59.2 | Low | 86 Ų | 86 | 47.9 Ų | 47.9 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | -28.9 | 159 | -92.8 | -174.1 | 6.1 | 0 | 0 | 114.8 | F141 G145 I2187 | F141-Q143 PolarHBondContact O-N 2.96Å; F141-Q143 VanDerWaalsContact O-N 3.16Å; Q143-G145 PolarHBondContact O-N 3.13Å; Q143-I2187 HydrophobicContact CB-CG1 3.73Å; Q143-I2187 HydrophobicContact CG-CG1 4.01Å; Q143-I2187 WeakPolarHBondContact O-CD1 3.32Å; Q143-I2187 VanDerWaalsContact O-CG1 3.26Å; Q143-I2187 WeakPolarHBondContact O-CG1 3.46Å |
| 144 | E | 43.7 | Very low | 61.2 | Low | 63 Ų | 63 | 47.2 Ų | 47.2 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 17.8 | -179.3 | -58.1 | -166.6 | 121.5 | 0 | 0 | 115.3 | S142 K146 N2188 H2191 | S142-E144 PolarHBondContact O-N 3.07Å; S142-E144 PolarHBondContact OG-N 2.8Å; E144-K146 HydrophobicContact CB-CD 4.23Å; E144-K146 HydrophobicContact CB-CG 4.31Å; E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.41Å; E144-K146 IonicContact OE2-NZ 3.48Å; E144-K146 PolarHBondContact OE2-NZ 2.87Å; E144-N2188 PolarHBondContact OE1-ND2 2.79Å; E144-H2191 IonicContact OE1-CD2 3.94Å; E144-H2191 PolarHBondContact OE1-CD2 2.93Å; E144-H2191 IonicContact OE1-CG 3.82Å; E144-H2191 IonicContact OE1-NE2 3.62Å |
| 145 | G | 43.4 | Very low | 62.9 | Low | 48 Ų | 48 | 44.9 Ų | 44.9 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S142 Q143 Y147 | S142-G145 PolarHBondContact O-N 2.97Å; Q143-G145 PolarHBondContact O-N 3.13Å; G145-Y147 PolarHBondContact O-N 3.39Å |
| 146 | K | 55.5 | Low | 64.3 | Low | 59 Ų | 59 | 47.7 Ų | 47.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | trans | -80.9 | 35.9 | -175.7 | -67.3 | 172.2 | 176 | 167.4 | 0 | 113.1 | V44 C45 E46 E144 | V44-K146 HydrophobicContact CG1-CD 4.31Å; V44-K146 HydrophobicContact CG1-CG 4.2Å; C45-K146 CarbonylContact C-O 3.57Å; C45-K146 WeakPolarHBondContact CA-O 3.28Å; E46-K146 PolarHBondContact N-O 3.31Å; E144-K146 HydrophobicContact CB-CD 4.23Å; E144-K146 HydrophobicContact CB-CG 4.31Å; E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.41Å; E144-K146 IonicContact OE2-NZ 3.48Å; E144-K146 PolarHBondContact OE2-NZ 2.87Å | ||
| 147 | Y | 58 | Low | 64.9 | Low | 143 Ų | 143 | 48.1 Ų | 48.1 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | trans | -63.9 | 144.4 | -176 | -57 | -72.1 | 0 | 0 | 0 | 113.2 | L42 G145 R149 | L42-Y147 WeakPolarHBondContact CD1-O 3.44Å; G145-Y147 PolarHBondContact O-N 3.39Å; Y147-R149 PolarHBondContact O-N 2.79Å | ||
| 148 | F | 71.1 | Confident | 65.3 | Low | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | trans | -77.3 | 96.7 | 175.9 | -178.5 | -101.5 | 0 | 0 | 0 | 112.6 | F38 T40 C45 E46 L47 G139 G150 I152 | F38-F148 HydrophobicContact CB-CE2 4.33Å; F38-F148 HydrophobicContact CB-CZ 3.94Å; F38-F148 AromaticContact CD2-CE2 3.66Å; F38-F148 HydrophobicContact CD2-CE2 3.66Å; F38-F148 AromaticContact CD2-CZ 3.94Å; F38-F148 HydrophobicContact CD2-CZ 3.94Å; F38-F148 HydrophobicContact CE2-CE2 4.42Å; F38-F148 HydrophobicContact CG-CE2 4.35Å; F38-F148 HydrophobicContact CG-CZ 4.39Å; T40-F148 HydrophobicContact CG2-CE2 4.23Å; C45-F148 HydrophobicContact CB-CD2 4.46Å; E46-F148 WeakPolarHBondContact O-CB 3.48Å; L47-F148 HydrophobicContact CD2-CD2 3.57Å; L47-F148 HydrophobicContact CD2-CE2 3.59Å; G139-F148 WeakPolarHBondContact O-CB 3.45Å; G139-F148 PolarHBondContact O-N 3.48Å; F148-G150 VanDerWaalsContact CE1-CA 3.45Å; F148-G150 PolarHBondContact O-N 2.98Å; F148-I152 HydrophobicContact CD1-CD1 4.05Å; F148-I152 HydrophobicContact CD1-CG1 3.84Å; F148-I152 HydrophobicContact CE1-CD1 4.05Å; F148-I152 HydrophobicContact CE1-CG1 3.36Å; F148-I152 HydrophobicContact CZ-CG1 3.89Å | ||
| 149 | R | 63.9 | Low | 65.2 | Low | 140 Ų | 140 | 51.4 Ų | 51.4 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | trans | -86.4 | 91.3 | 167.1 | -162.7 | 174.4 | -177 | 179.3 | 0.9 | 110.2 | T40 L42 Y147 | T40-R149 PolarHBondContact OG1-O 2.62Å; L42-R149 HydrophobicContact CD1-CB 3.64Å; L42-R149 VanDerWaalsContact CD1-N 3.33Å; L42-R149 HydrophobicContact CD2-CB 4.25Å; L42-R149 HydrophobicContact CG-CB 3.91Å; Y147-R149 PolarHBondContact O-N 2.79Å | ||
| 150 | G | 70.7 | Confident | 65.3 | Low | 22 Ų | 22 | 56.5 Ų | 56.5 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -165.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K39 F148 C178 | K39-G150 CarbonylContact O-C 3.54Å; K39-G150 WeakPolarHBondContact O-CA 3.47Å; F148-G150 VanDerWaalsContact CE1-CA 3.45Å; F148-G150 PolarHBondContact O-N 2.98Å; G150-C178 PolarHBondContact O-SG 2.99Å |
| 151 | C | 74 | Confident | 66.2 | Low | 13 Ų | 13 | 57.8 Ų | 57.8 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.2 | 171.1 | -38.2 | 0 | 0 | 0 | 0 | 109.3 | F38 K39 C178 | F38-C151 CarbonylContact C-O 3.57Å; F38-C151 VanDerWaalsContact CA-O 3.24Å; F38-C151 WeakPolarHBondContact CA-O 3.47Å; K39-C151 HydrophobicContact CB-CB 4.36Å; K39-C151 PolarHBondContact N-O 3.26Å; K39-C151 PolarHBondContact O-N 3.4Å; C151-C178 WeakPolarHBondContact CA-SG 3.43Å; C151-C178 HydrophobicContact CB-CB 3.77Å; C151-C178 WeakPolarHBondContact CB-SG 3.4Å; C151-C178 PolarHBondContact N-SG 3.23Å; C151-C178 VanDerWaalsContact N-SG 3.44Å; C151-C178 VanDerWaalsContact SG-C 3.54Å; C151-C178 WeakPolarHBondContact SG-CB 3.35Å; C151-C178 CovalentContact SG-SG 2.04Å; C151-C178 PolarHBondContact SG-SG 2.74Å |
| 152 | I | 80.1 | Confident | 67 | Low | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.2 | 163.2 | -50.1 | -173.9 | 0 | 0 | 0 | 106.7 | E37 F38 I138 F148 M154 L163 | E37-I152 CarbonylContact O-C 3.43Å; E37-I152 WeakPolarHBondContact O-CA 3.39Å; E37-I152 VanDerWaalsContact O-CG2 3.31Å; E37-I152 WeakPolarHBondContact O-CG2 3.14Å; F38-I152 HydrophobicContact CB-CG1 4.3Å; I138-I152 HydrophobicContact CG2-CD1 3.69Å; F148-I152 HydrophobicContact CD1-CD1 4.05Å; F148-I152 HydrophobicContact CD1-CG1 3.84Å; F148-I152 HydrophobicContact CE1-CD1 4.05Å; F148-I152 HydrophobicContact CE1-CG1 3.36Å; F148-I152 HydrophobicContact CZ-CG1 3.89Å; I152-M154 WeakPolarHBondContact CG2-O 3.39Å; I152-L163 HydrophobicContact CG2-CD1 4.15Å |
| 153 | M | 77.1 | Confident | 68.4 | Low | 111 Ų | 111 | 54.4 Ų | 54.4 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -19.2 | -174.6 | -94 | -175.9 | 49 | 0 | 0 | 113.9 | E37 H94 | E37-M153 HydrophobicContact CB-CB 4.34Å; E37-M153 HydrophobicContact CG-CB 4.36Å; E37-M153 PolarHBondContact O-N 3.45Å; E37-M153 WeakPolarHBondContact OE1-CE 3.29Å; H94-M153 PolarHBondContact CE1-SD 2.89Å; H94-M153 PolarHBondContact ND1-SD 3.33Å; H94-M153 VanDerWaalsContact ND1-SD 3.37Å |
| 154 | M | 83.8 | Confident | 69.6 | Low | 45 Ų | 45 | 54.1 Ų | 54.1 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 138.9 | 177.2 | -160.1 | -172.7 | -41.1 | 0 | 0 | 108.2 | L36 E37 I152 K156 | L36-M154 CarbonylContact C-O 3.53Å; L36-M154 VanDerWaalsContact CA-O 3.23Å; L36-M154 WeakPolarHBondContact CA-O 3.43Å; E37-M154 HydrophobicContact CB-CB 3.7Å; E37-M154 HydrophobicContact CB-CE 4.39Å; E37-M154 PolarHBondContact N-O 3.1Å; I152-M154 WeakPolarHBondContact CG2-O 3.39Å; M154-K156 HydrophobicContact CG-CD 4.15Å; M154-K156 HydrophobicContact CG-CG 4.35Å; M154-K156 HydrophobicContact SD-CD 3.79Å; M154-K156 PolarHBondContact SD-NZ 2.84Å |
| 155 | L | 85 | Confident | 70.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 118.4 | 163.1 | -179.6 | 65.1 | 0 | 0 | 0 | 107.4 | I34 R35 L36 L48 M136 I138 D161 L162 L163 | I34-L155 HydrophobicContact CG2-CD1 4.32Å; R35-L155 CarbonylContact O-C 3.47Å; R35-L155 WeakPolarHBondContact O-CA 3.23Å; L36-L155 HydrophobicContact CB-CD1 3.95Å; L48-L155 HydrophobicContact CD1-CD1 4.06Å; L48-L155 HydrophobicContact CD1-CD2 3.73Å; L48-L155 HydrophobicContact CD2-CD1 4.27Å; M136-L155 HydrophobicContact CE-CD2 4.19Å; M136-L155 HydrophobicContact SD-CD2 4.17Å; I138-L155 HydrophobicContact CD1-CD2 3.55Å; I138-L155 HydrophobicContact CG1-CD2 3.75Å; I138-L155 HydrophobicContact CG2-CD2 4.47Å; L155-D161 CarbonylContact O-C 3.54Å; L155-D161 WeakPolarHBondContact O-CA 2.86Å; L155-L162 HydrophobicContact CD2-CB 4.17Å; L155-L162 HydrophobicContact CD2-CD1 4.1Å; L155-L162 HydrophobicContact CG-CB 4.3Å; L155-L162 HydrophobicContact CG-CD1 4.28Å; L155-L162 PolarHBondContact O-N 2.89Å; L155-L163 HydrophobicContact CB-CD1 4.45Å; L155-L163 HydrophobicContact CB-CD2 4.26Å; L155-L163 HydrophobicContact CB-CG 3.89Å |
| 156 | K | 83.3 | Confident | 70.9 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 27% | 0.274 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.2 | 178.9 | -75.4 | 168 | -175.5 | 165.4 | 0 | 109.9 | I34 R35 M154 F160 D161 | I34-K156 CarbonylContact C-O 3.58Å; I34-K156 WeakPolarHBondContact CA-O 3.36Å; R35-K156 HydrophobicContact CB-CB 4.3Å; R35-K156 PolarHBondContact N-O 2.99Å; R35-K156 PolarHBondContact O-N 2.9Å; M154-K156 HydrophobicContact CG-CD 4.15Å; M154-K156 HydrophobicContact CG-CG 4.35Å; M154-K156 HydrophobicContact SD-CD 3.79Å; M154-K156 PolarHBondContact SD-NZ 2.84Å; K156-F160 CarbonylContact C-O 3.3Å; K156-F160 VanDerWaalsContact CA-O 3.24Å; K156-F160 WeakPolarHBondContact CA-O 3.18Å; K156-D161 WeakPolarHBondContact CE-OD2 3.32Å; K156-D161 HydrophobicContact CG-CB 3.9Å; K156-D161 IonicContact NZ-OD2 3.42Å |
| 157 | L | 76.8 | Confident | 70.9 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.8 | 172.9 | -177.4 | 68.6 | 0 | 0 | 0 | 107.8 | V32 E33 I34 L132 G159 F160 L162 | V32-L157 HydrophobicContact CG1-CD1 3.73Å; E33-L157 CarbonylContact O-C 3.56Å; E33-L157 WeakPolarHBondContact O-CA 3.29Å; I34-L157 HydrophobicContact CG1-CD1 3.71Å; L132-L157 HydrophobicContact CD1-CD2 3.81Å; L157-G159 PolarHBondContact O-N 2.79Å; L157-F160 PolarHBondContact N-O 3.38Å; L157-F160 WeakPolarHBondContact O-CB 3.43Å; L157-F160 WeakPolarHBondContact O-CD2 3.26Å; L157-F160 PolarHBondContact O-N 2.68Å; L157-L162 HydrophobicContact CB-CD1 3.68Å; L157-L162 HydrophobicContact CB-CD2 4.45Å; L157-L162 HydrophobicContact CB-CG 4.14Å; L157-L162 HydrophobicContact CD2-CD1 4.21Å |
| 158 | N | 72.5 | Confident | 70.5 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 43.6 | -174.7 | -66.7 | -46.3 | 0 | 0 | 0 | 113.4 | L29 S31 V32 E33 F160 | L29-N158 WeakPolarHBondContact CD1-ND2 3.43Å; L29-N158 HydrophobicContact CD2-CB 4.25Å; S31-N158 PolarHBondContact O-OD1 3.42Å; V32-N158 WeakPolarHBondContact CA-OD1 3.49Å; E33-N158 PolarHBondContact N-OD1 3.29Å; E33-N158 PolarHBondContact O-N 3.2Å; N158-F160 HydrophobicContact CB-CD2 4.44Å; N158-F160 WeakPolarHBondContact O-CD2 3.49Å; N158-F160 PolarHBondContact O-N 2.71Å |
| 159 | G | 70.4 | Confident | 69.2 | Low | 52 Ų | 52 | 53.1 Ų | 53.1 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L157 D161 | L157-G159 PolarHBondContact O-N 2.79Å; G159-D161 PolarHBondContact O-N 3.41Å |
| 160 | F | 65.5 | Low | 68.5 | Low | 116 Ų | 116 | 47 Ų | 47 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 114.6 | 174.6 | -63 | -83.6 | 0 | 0 | 0 | 110.4 | K156 L157 N158 L162 M165 | K156-F160 CarbonylContact C-O 3.3Å; K156-F160 VanDerWaalsContact CA-O 3.24Å; K156-F160 WeakPolarHBondContact CA-O 3.18Å; L157-F160 PolarHBondContact N-O 3.38Å; L157-F160 WeakPolarHBondContact O-CB 3.43Å; L157-F160 WeakPolarHBondContact O-CD2 3.26Å; L157-F160 PolarHBondContact O-N 2.68Å; N158-F160 HydrophobicContact CB-CD2 4.44Å; N158-F160 WeakPolarHBondContact O-CD2 3.49Å; N158-F160 PolarHBondContact O-N 2.71Å; F160-L162 HydrophobicContact CB-CD2 4.43Å; F160-L162 PolarHBondContact O-N 2.73Å; F160-M165 HydrophobicContact CB-CE 3.91Å; F160-M165 HydrophobicContact CD1-CE 3.73Å; F160-M165 HydrophobicContact CG-CE 4.21Å |
| 161 | D | 76.3 | Confident | 67.2 | Low | 40 Ų | 40 | 47 Ų | 47 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 105.2 | 177.7 | -164.6 | -47.8 | 0 | 0 | 0 | 110.4 | L155 K156 G159 L163 N164 M165 | L155-D161 CarbonylContact O-C 3.54Å; L155-D161 WeakPolarHBondContact O-CA 2.86Å; K156-D161 WeakPolarHBondContact CE-OD2 3.32Å; K156-D161 HydrophobicContact CG-CB 3.9Å; K156-D161 IonicContact NZ-OD2 3.42Å; G159-D161 PolarHBondContact O-N 3.41Å; D161-L163 PolarHBondContact OD1-N 3.48Å; D161-N164 HydrophobicContact CB-CB 3.93Å; D161-N164 PolarHBondContact O-N 2.95Å; D161-N164 WeakPolarHBondContact OD1-CB 3.47Å; D161-N164 PolarHBondContact OD1-N 3.17Å; D161-M165 WeakPolarHBondContact O-CB 3.33Å; D161-M165 PolarHBondContact O-N 3.26Å |
| 162 | L | 69.5 | Low | 65.6 | Low | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.4 | -32.6 | -172.4 | -58.3 | -175.9 | 0 | 0 | 0 | 112.2 | M136 L155 L157 F160 N164 M165 Y166 | M136-L162 HydrophobicContact CE-CB 4.44Å; M136-L162 HydrophobicContact CE-CD1 3.6Å; M136-L162 HydrophobicContact SD-CD1 3.48Å; M136-L162 WeakPolarHBondContact SD-CD1 3.43Å; L155-L162 HydrophobicContact CD2-CB 4.17Å; L155-L162 HydrophobicContact CD2-CD1 4.1Å; L155-L162 HydrophobicContact CG-CB 4.3Å; L155-L162 HydrophobicContact CG-CD1 4.28Å; L155-L162 PolarHBondContact O-N 2.89Å; L157-L162 HydrophobicContact CB-CD1 3.68Å; L157-L162 HydrophobicContact CB-CD2 4.45Å; L157-L162 HydrophobicContact CB-CG 4.14Å; L157-L162 HydrophobicContact CD2-CD1 4.21Å; F160-L162 HydrophobicContact CB-CD2 4.43Å; F160-L162 PolarHBondContact O-N 2.73Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-M165 PolarHBondContact O-N 2.68Å; L162-Y166 HydrophobicContact CB-CD2 4.36Å; L162-Y166 HydrophobicContact CD2-CD2 4.37Å; L162-Y166 HydrophobicContact CD2-CE2 4Å; L162-Y166 WeakPolarHBondContact O-CB 3.4Å; L162-Y166 WeakPolarHBondContact O-CD2 3.37Å; L162-Y166 PolarHBondContact O-N 2.85Å |
| 163 | L | 71.4 | Confident | 63.9 | Low | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 172.1 | -60 | -175.7 | 0 | 0 | 0 | 110.7 | I138 I152 L155 D161 S167 L170 | I138-L163 HydrophobicContact CD1-CD2 4.17Å; I152-L163 HydrophobicContact CG2-CD1 4.15Å; L155-L163 HydrophobicContact CB-CD1 4.45Å; L155-L163 HydrophobicContact CB-CD2 4.26Å; L155-L163 HydrophobicContact CB-CG 3.89Å; D161-L163 PolarHBondContact OD1-N 3.48Å; L163-S167 WeakPolarHBondContact O-CA 3.39Å; L163-S167 PolarHBondContact O-N 2.84Å; L163-L170 HydrophobicContact CD2-CD1 3.79Å |
| 164 | N | 69.5 | Low | 62.6 | Low | 79 Ų | 79 | 45.8 Ų | 45.8 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -78.9 | -21.9 | 177.6 | -170.9 | 51.8 | 0 | 0 | 0 | 113.7 | D161 L162 R1829 | D161-N164 HydrophobicContact CB-CB 3.93Å; D161-N164 PolarHBondContact O-N 2.95Å; D161-N164 WeakPolarHBondContact OD1-CB 3.47Å; D161-N164 PolarHBondContact OD1-N 3.17Å; L162-N164 VanDerWaalsContact C-N 3.3Å; N164-R1829 PolarHBondContact O-NH2 3.26Å; N164-R1829 VanDerWaalsContact O-NH2 3.11Å; N164-R1829 PolarHBondContact OD1-NE 3.18Å; N164-R1829 PolarHBondContact OD1-NH2 3.44Å |
| 165 | M | 58.2 | Low | 60.9 | Low | 88 Ų | 88 | 49.3 Ų | 49.3 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -86.9 | -34.6 | 177.7 | -178 | -178.8 | -62.4 | 0 | 0 | 112.9 | F160 D161 L162 | F160-M165 HydrophobicContact CB-CE 3.91Å; F160-M165 HydrophobicContact CD1-CE 3.73Å; F160-M165 HydrophobicContact CG-CE 4.21Å; D161-M165 WeakPolarHBondContact O-CB 3.33Å; D161-M165 PolarHBondContact O-N 3.26Å; L162-M165 PolarHBondContact O-N 2.68Å |
| 166 | Y | 57.1 | Low | 59.2 | Low | 39 Ų | 39 | 53.5 Ų | 53.5 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -110.5 | 20.7 | -177.8 | -64.1 | -80.5 | 0 | 0 | 0 | 112.5 | V22 R23 V24 L162 D168 L169 L170 | V22-Y166 HydrophobicContact CG1-CD1 3.79Å; V22-Y166 HydrophobicContact CG1-CD2 3.56Å; V22-Y166 HydrophobicContact CG1-CE1 3.64Å; V22-Y166 HydrophobicContact CG1-CE2 3.4Å; V22-Y166 VanDerWaalsContact CG1-CE2 3.4Å; V22-Y166 HydrophobicContact CG1-CG 3.76Å; V22-Y166 VanDerWaalsContact CG1-CZ 3.46Å; V22-Y166 HydrophobicContact CG2-CG 4.4Å; R23-Y166 PolarHBondContact O-OH 2.99Å; V24-Y166 HydrophobicContact CG2-CE2 4.4Å; L162-Y166 HydrophobicContact CB-CD2 4.36Å; L162-Y166 HydrophobicContact CD2-CD2 4.37Å; L162-Y166 HydrophobicContact CD2-CE2 4Å; L162-Y166 WeakPolarHBondContact O-CB 3.4Å; L162-Y166 WeakPolarHBondContact O-CD2 3.37Å; L162-Y166 PolarHBondContact O-N 2.85Å; Y166-D168 VanDerWaalsContact C-N 3.26Å; Y166-D168 PolarHBondContact O-N 3.48Å; Y166-L169 HydrophobicContact CD1-CD1 3.91Å; Y166-L169 CarbonylContact O-C 3.5Å; Y166-L169 PolarHBondContact O-N 3.27Å; Y166-L170 WeakPolarHBondContact O-CB 3.25Å; Y166-L170 VanDerWaalsContact O-CG 3.27Å; Y166-L170 WeakPolarHBondContact O-CG 3.46Å; Y166-L170 PolarHBondContact O-N 2.89Å |
| 167 | S | 54.8 | Low | 57.5 | Low | 16 Ų | 16 | 54.8 Ų | 54.8 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -48.4 | -51.3 | -179.9 | 38.7 | 0 | 0 | 0 | 0 | 111.8 | L163 L169 L170 E171 R1829 | L163-S167 WeakPolarHBondContact O-CA 3.39Å; L163-S167 PolarHBondContact O-N 2.84Å; S167-L169 PolarHBondContact O-N 2.78Å; S167-L170 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-CB 3.32Å; S167-E171 WeakPolarHBondContact O-CB 3.1Å; S167-E171 PolarHBondContact O-N 3.31Å; S167-R1829 PolarHBondContact OG-NH1 3.16Å; S167-R1829 PolarHBondContact OG-NH2 3Å |
| 168 | D | 49.2 | Very low | 56.4 | Low | 81 Ų | 81 | 55.4 Ų | 55.4 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -7.5 | -174.4 | -37.8 | 7.8 | 0 | 0 | 0 | 113 | Y166 | Y166-D168 VanDerWaalsContact C-N 3.26Å; Y166-D168 PolarHBondContact O-N 3.48Å |
| 169 | L | 44 | Very low | 55.4 | Low | 92 Ų | 92 | 56.4 Ų | 56.4 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -111.3 | -30.4 | 173.7 | -80.3 | 158.4 | 0 | 0 | 0 | 112.1 | Y166 S167 | Y166-L169 HydrophobicContact CD1-CD1 3.91Å; Y166-L169 CarbonylContact O-C 3.5Å; Y166-L169 PolarHBondContact O-N 3.27Å; S167-L169 PolarHBondContact O-N 2.78Å |
| 170 | L | 48.3 | Very low | 54.6 | Low | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -81.5 | -16.9 | 177.6 | -66.6 | 167.3 | 0 | 0 | 0 | 113.3 | I138 L163 Y166 S167 Y172 S173 F174 | I138-L170 HydrophobicContact CD1-CD1 4.41Å; I138-L170 HydrophobicContact CD1-CD2 4.09Å; L163-L170 HydrophobicContact CD2-CD1 3.79Å; Y166-L170 WeakPolarHBondContact O-CB 3.25Å; Y166-L170 VanDerWaalsContact O-CG 3.27Å; Y166-L170 WeakPolarHBondContact O-CG 3.46Å; Y166-L170 PolarHBondContact O-N 2.89Å; S167-L170 PolarHBondContact O-N 3.32Å; L170-Y172 PolarHBondContact O-N 2.82Å; L170-S173 PolarHBondContact O-N 3.29Å; L170-S173 VanDerWaalsContact O-N 3.08Å; L170-F174 HydrophobicContact CB-CD2 4.1Å; L170-F174 HydrophobicContact CD2-CD2 3.71Å; L170-F174 HydrophobicContact CD2-CE2 3.64Å; L170-F174 HydrophobicContact CG-CD2 4.49Å; L170-F174 PolarHBondContact O-N 2.68Å |
| 171 | E | 44.2 | Very low | 53.9 | Low | 22 Ų | 22 | 62.4 Ų | 62.4 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 13.5 | 179.1 | -148.3 | 171.5 | -148.8 | 0 | 0 | 115.7 | S167 Y472 T1930 N1960 | S167-E171 VanDerWaalsContact O-CB 3.32Å; S167-E171 WeakPolarHBondContact O-CB 3.1Å; S167-E171 PolarHBondContact O-N 3.31Å; E171-Y472 PolarHBondContact OE2-OH 2.68Å; E171-T1930 HydrophobicContact CB-CG2 3.73Å; E171-T1930 HydrophobicContact CG-CG2 3.34Å; E171-T1930 PolarHBondContact O-OG1 2.74Å; E171-T1930 WeakPolarHBondContact OE2-CG2 3.26Å; E171-N1960 HydrophobicContact CG-CB 4.05Å; E171-N1960 WeakPolarHBondContact CG-ND2 3.31Å; E171-N1960 PolarHBondContact OE1-ND2 3.04Å |
| 172 | Y | 41.1 | Very low | 52.9 | Low | 7 Ų | 7 | 64.1 Ų | 64.1 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -21.8 | -166 | -74.8 | -66.3 | 0 | 0 | 0 | 114.4 | L170 K468 T1930 L1931 E1932 | L170-Y172 PolarHBondContact O-N 2.82Å; Y172-K468 HydrophobicContact CE2-CD 4.25Å; Y172-K468 HydrophobicContact CE2-CG 4.1Å; Y172-T1930 HydrophobicContact CD2-CG2 4.38Å; Y172-T1930 HydrophobicContact CE1-CG2 3.88Å; Y172-T1930 HydrophobicContact CE2-CG2 3.49Å; Y172-T1930 VanDerWaalsContact CE2-CG2 3.49Å; Y172-T1930 WeakPolarHBondContact OH-CA 3.47Å; Y172-T1930 WeakPolarHBondContact OH-CB 3.36Å; Y172-T1930 WeakPolarHBondContact OH-CG2 3.26Å; Y172-L1931 WeakPolarHBondContact CE1-O 3.25Å; Y172-L1931 PolarHBondContact OH-N 2.9Å; Y172-L1931 PolarHBondContact OH-O 3.04Å; Y172-E1932 HydrophobicContact CD1-CB 3.71Å; Y172-E1932 HydrophobicContact CD1-CG 4Å; Y172-E1932 VanDerWaalsContact CD1-OE1 3.28Å; Y172-E1932 WeakPolarHBondContact CD1-OE1 3.34Å; Y172-E1932 WeakPolarHBondContact CD2-OE1 3.29Å; Y172-E1932 HydrophobicContact CE1-CB 3.87Å; Y172-E1932 HydrophobicContact CE1-CG 3.91Å; Y172-E1932 WeakPolarHBondContact CE1-OE2 3.42Å; Y172-E1932 WeakPolarHBondContact CE2-OE2 3.27Å; Y172-E1932 PolarHBondContact OH-OE2 3Å |
| 173 | S | 44.4 | Very low | 52 | Low | 53 Ų | 53 | 68.4 Ų | 68.4 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -11.6 | 178.2 | -40.1 | 0 | 0 | 0 | 0 | 111.8 | L170 | L170-S173 PolarHBondContact O-N 3.29Å; L170-S173 VanDerWaalsContact O-N 3.08Å |
| 174 | F | 49.9 | Very low | 50.9 | Low | 66 Ų | 66 | 70.8 Ų | 70.8 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -127.4 | 105.7 | -177.7 | -68.2 | -92.7 | 0 | 0 | 0 | 110.7 | I138 L170 E176 | I138-F174 HydrophobicContact CB-CZ 3.89Å; I138-F174 HydrophobicContact CG2-CE1 4.14Å; I138-F174 HydrophobicContact CG2-CZ 3.77Å; L170-F174 HydrophobicContact CB-CD2 4.1Å; L170-F174 HydrophobicContact CD2-CD2 3.71Å; L170-F174 HydrophobicContact CD2-CE2 3.64Å; L170-F174 HydrophobicContact CG-CD2 4.49Å; L170-F174 PolarHBondContact O-N 2.68Å; F174-E176 PolarHBondContact O-N 3.5Å |
| 175 | R | 47.8 | Very low | 50 | Low | 119 Ų | 119 | 75.6 Ų | 75.6 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | trans | -64.3 | 117.8 | 171.9 | -65.9 | -169 | -172.5 | -158.8 | -0.4 | 111.4 | C178 E1958 | R175-C178 PolarHBondContact O-N 3.33Å; R175-E1958 WeakPolarHBondContact CD-OE2 3.41Å; R175-E1958 HydrophobicContact CG-CG 4.45Å; R175-E1958 VanDerWaalsContact CG-OE2 3.26Å; R175-E1958 WeakPolarHBondContact CG-OE2 3.25Å; R175-E1958 IonicContact CZ-OE1 3.13Å; R175-E1958 VanDerWaalsContact CZ-OE1 3.27Å; R175-E1958 IonicContact CZ-OE2 2.77Å; R175-E1958 IonicContact NE-OE1 3.14Å; R175-E1958 PolarHBondContact NE-OE1 3.19Å; R175-E1958 VanDerWaalsContact NE-OE1 3.1Å; R175-E1958 IonicContact NE-OE2 3.82Å; R175-E1958 PolarHBondContact NE-OE2 2.81Å; R175-E1958 IonicContact NH2-OE1 3.15Å; R175-E1958 PolarHBondContact NH2-OE1 3.1Å; R175-E1958 IonicContact NH2-OE2 2.72Å | ||
| 176 | E | 48.1 | Very low | 49.6 | Very low | 93 Ų | 93 | 72.8 Ų | 72.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | 143.7 | 154.3 | -106 | -104.3 | 121.7 | 0 | 0 | 110.1 | F174 C178 R1836 | F174-E176 PolarHBondContact O-N 3.5Å; E176-C178 PolarHBondContact O-N 2.77Å; E176-R1836 IonicContact OE1-NH1 2.63Å; E176-R1836 IonicContact OE2-NH1 2.75Å |
| 177 | N | 48.8 | Very low | 49.3 | Very low | 90 Ų | 90 | 74.4 Ų | 74.4 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 30.8 | 177.1 | -58 | -80.7 | 0 | 0 | 0 | 116.6 | S179 R180 | N177-S179 PolarHBondContact O-N 2.81Å; N177-R180 PolarHBondContact O-N 2.96Å |
| 178 | C | 54.3 | Low | 49.3 | Very low | 24 Ų | 24 | 77.8 Ų | 77.8 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -42.2 | -27.3 | 163.8 | 166.8 | 0 | 0 | 0 | 0 | 114.5 | G150 C151 R175 E176 R180 L181 | G150-C178 PolarHBondContact O-SG 2.99Å; C151-C178 WeakPolarHBondContact CA-SG 3.43Å; C151-C178 HydrophobicContact CB-CB 3.77Å; C151-C178 WeakPolarHBondContact CB-SG 3.4Å; C151-C178 PolarHBondContact N-SG 3.23Å; C151-C178 VanDerWaalsContact N-SG 3.44Å; C151-C178 VanDerWaalsContact SG-C 3.54Å; C151-C178 WeakPolarHBondContact SG-CB 3.35Å; C151-C178 CovalentContact SG-SG 2.04Å; C151-C178 PolarHBondContact SG-SG 2.74Å; R175-C178 PolarHBondContact O-N 3.33Å; E176-C178 PolarHBondContact O-N 2.77Å; C178-R180 PolarHBondContact O-N 3.12Å; C178-R180 VanDerWaalsContact O-N 3.15Å; C178-L181 PolarHBondContact O-N 2.9Å |
| 179 | S | 51.5 | Low | 49.6 | Very low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -50.4 | -31.2 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | N177 S183 | N177-S179 PolarHBondContact O-N 2.81Å; S179-S183 PolarHBondContact O-OG 2.95Å |
| 180 | R | 52 | Low | 50.7 | Low | 190 Ų | 190 | 71.5 Ų | 71.5 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -72.2 | -34.8 | 179.9 | -76.4 | -174.5 | 172.4 | 179.6 | -0.5 | 114.4 | N177 C178 F182 S183 | N177-R180 PolarHBondContact O-N 2.96Å; C178-R180 PolarHBondContact O-N 3.12Å; C178-R180 VanDerWaalsContact O-N 3.15Å; R180-F182 PolarHBondContact O-N 2.92Å; R180-S183 PolarHBondContact O-N 3.3Å; R180-S183 VanDerWaalsContact O-N 3.15Å; R180-S183 PolarHBondContact O-OG 2.89Å |
| 181 | L | 51.3 | Low | 51.9 | Low | 103 Ų | 103 | 72.2 Ų | 72.2 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.8 | -179.7 | -89 | 158.6 | 0 | 0 | 0 | 112.5 | C178 | C178-L181 PolarHBondContact O-N 2.9Š|
| 182 | F | 55.9 | Low | 53.2 | Low | 77 Ų | 77 | 71.2 Ų | 71.2 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 24.2 | 177.5 | -62.8 | -83.7 | 0 | 0 | 0 | 113.1 | V92 R180 | V92-F182 HydrophobicContact CG1-CB 4.06Å; V92-F182 HydrophobicContact CG1-CD1 3.74Å; V92-F182 HydrophobicContact CG1-CE1 4.46Å; V92-F182 HydrophobicContact CG1-CG 4.04Å; R180-F182 PolarHBondContact O-N 2.92Å |
| 183 | S | 50.7 | Low | 54.8 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -147.2 | 18.7 | -175.9 | 67.2 | 0 | 0 | 0 | 0 | 117 | S179 R180 | S179-S183 PolarHBondContact O-OG 2.95Å; R180-S183 PolarHBondContact O-N 3.3Å; R180-S183 VanDerWaalsContact O-N 3.15Å; R180-S183 PolarHBondContact O-OG 2.89Å |
| 184 | S | 47.9 | Very low | 55.6 | Low | 83 Ų | 83 | 68.5 Ų | 68.5 | 58% | 0.58 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -118.4 | 150.8 | 176.4 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 185 | H | 50.6 | Low | 56.1 | Low | 181 Ų | 181 | 65.4 Ų | 65.4 | 84% | 0.838 | 36% | 0.355 | S | S | * | . | trans | -82.3 | 150.6 | 179.3 | -79.7 | -65.1 | 0 | 0 | 0 | 112.1 | ||||
| 186 | A | 49.4 | Very low | 56.7 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -103.3 | 2.2 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | N362 L364 | A186-N362 WeakPolarHBondContact CB-ND2 3.4Å; A186-N362 WeakPolarHBondContact CB-OD1 3.35Å; A186-L364 HydrophobicContact CB-CD1 4.17Å |
| 187 | S | 51.6 | Low | 57.4 | Low | 73 Ų | 73 | 56.3 Ų | 56.3 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -109.8 | 17.1 | -163.7 | 65 | 0 | 0 | 0 | 0 | 115.4 | E360 | S187-E360 VanDerWaalsContact CA-OE1 3.29Å; S187-E360 WeakPolarHBondContact CA-OE1 3.48Å; S187-E360 WeakPolarHBondContact CB-OE1 3.39Å; S187-E360 WeakPolarHBondContact CB-OE2 3.46Å |
| 188 | S | 53.5 | Low | 58.5 | Low | 87 Ų | 87 | 52.9 Ų | 52.9 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -146.5 | -10 | -176.1 | 60.3 | 0 | 0 | 0 | 0 | 115.8 | A190 | S188-A190 PolarHBondContact O-N 2.97Š|
| 189 | A | 57 | Low | 59.4 | Low | 33 Ų | 33 | 51.8 Ų | 51.8 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | trans | -69.9 | 125.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | M191 T374 | A189-M191 PolarHBondContact O-N 2.59Å; A189-T374 HydrophobicContact CB-CG2 4.11Å | ||
| 190 | A | 66.9 | Low | 60.5 | Low | 7 Ų | 7 | 50.8 Ų | 50.8 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | trans | -68.8 | 112 | 161 | 0 | 0 | 0 | 0 | 0 | 106.8 | S188 W280 C350 Q352 D375 | S188-A190 PolarHBondContact O-N 2.97Å; A190-W280 HydrophobicContact CB-CH2 4.06Å; A190-W280 HydrophobicContact CB-CZ2 4.26Å; A190-C350 HydrophobicContact CB-CB 4.47Å; A190-Q352 HydrophobicContact CB-CB 4.22Å; A190-Q352 HydrophobicContact CB-CG 4.39Å; A190-D375 PolarHBondContact O-N 2.82Å | ||
| 191 | M | 74 | Confident | 61.8 | Low | 28 Ų | 28 | 42.2 Ų | 42.2 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 140.9 | 168 | -70.3 | -62.8 | -93 | 0 | 0 | 107.7 | A189 I199 I351 F363 V372 T374 | A189-M191 PolarHBondContact O-N 2.59Å; M191-I199 HydrophobicContact CB-CD1 3.93Å; M191-I351 PolarHBondContact N-O 2.82Å; M191-I351 PolarHBondContact O-N 3.39Å; M191-I351 VanDerWaalsContact O-O 3.05Å; M191-F363 HydrophobicContact CB-CD1 4.06Å; M191-F363 HydrophobicContact CB-CD2 4.31Å; M191-F363 HydrophobicContact CB-CE1 3.96Å; M191-F363 HydrophobicContact CB-CE2 4.21Å; M191-F363 HydrophobicContact CB-CG 4.24Å; M191-F363 HydrophobicContact CB-CZ 4.03Å; M191-F363 HydrophobicContact CE-CB 3.81Å; M191-F363 HydrophobicContact CE-CG 4.34Å; M191-F363 HydrophobicContact CG-CB 3.82Å; M191-F363 HydrophobicContact CG-CD1 3.66Å; M191-F363 HydrophobicContact CG-CD2 3.42Å; M191-F363 VanDerWaalsContact CG-CD2 3.42Å; M191-F363 HydrophobicContact CG-CE1 3.99Å; M191-F363 HydrophobicContact CG-CE2 3.76Å; M191-F363 HydrophobicContact CG-CG 3.36Å; M191-F363 HydrophobicContact CG-CZ 4.03Å; M191-F363 HydrophobicContact SD-CB 4.34Å; M191-F363 HydrophobicContact SD-CG 4.49Å; M191-V372 HydrophobicContact CB-CG1 4.24Å; M191-V372 HydrophobicContact CE-CB 4.18Å; M191-V372 HydrophobicContact CE-CG1 3.42Å; M191-V372 VanDerWaalsContact CE-CG1 3.42Å; M191-V372 HydrophobicContact SD-CG1 4.26Å; M191-T374 HydrophobicContact SD-CG2 3.64Å |
| 192 | V | 71.3 | Confident | 62.8 | Low | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.3 | -171.1 | -118.1 | 0 | 0 | 0 | 0 | 108 | M349 C350 V372 T373 D375 S1996 N1997 | V192-M349 WeakPolarHBondContact CA-O 3.41Å; V192-C350 HydrophobicContact CG1-CB 3.7Å; V192-C350 WeakPolarHBondContact CG1-SG 3.31Å; V192-V372 WeakPolarHBondContact O-CG1 3.3Å; V192-T373 WeakPolarHBondContact CG2-O 3.31Å; V192-T373 PolarHBondContact N-O 2.85Å; V192-T373 VanDerWaalsContact N-O 3.1Å; V192-D375 WeakPolarHBondContact CG2-O 3.42Å; V192-S1996 VanDerWaalsContact O-O 3.06Å; V192-N1997 HydrophobicContact CB-CB 3.39Å; V192-N1997 WeakPolarHBondContact CB-OD1 3.36Å; V192-N1997 HydrophobicContact CG1-CB 3.48Å; V192-N1997 VanDerWaalsContact CG1-CB 3.48Å; V192-N1997 HydrophobicContact CG2-CB 4.17Å; V192-N1997 VanDerWaalsContact CG2-CG 3.41Å; V192-N1997 WeakPolarHBondContact CG2-OD1 3.32Å |
| 193 | I | 73 | Confident | 63.7 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 110.7 | -156.4 | -51.2 | -171.9 | 0 | 0 | 0 | 109.6 | G197 I199 F325 M349 I351 N1997 G1998 | I193-G197 WeakPolarHBondContact CG2-O 3.14Å; I193-I199 HydrophobicContact CD1-CD1 3.61Å; I193-I199 HydrophobicContact CD1-CG1 4.11Å; I193-I199 HydrophobicContact CG1-CD1 3.82Å; I193-I199 HydrophobicContact CG1-CG1 4.35Å; I193-F325 HydrophobicContact CD1-CB 3.32Å; I193-F325 HydrophobicContact CD1-CG 4.21Å; I193-M349 HydrophobicContact CB-CG 3.75Å; I193-M349 HydrophobicContact CD1-CG 4.14Å; I193-M349 HydrophobicContact CD1-SD 4.47Å; I193-M349 HydrophobicContact CG1-CG 4.11Å; I193-M349 PolarHBondContact N-O 2.84Å; I193-M349 VanDerWaalsContact N-O 3.13Å; I193-I351 HydrophobicContact CD1-CB 4.42Å; I193-I351 HydrophobicContact CD1-CD1 3.66Å; I193-I351 HydrophobicContact CD1-CG1 4.01Å; I193-N1997 CarbonylContact C-O 3.49Å; I193-N1997 PolarHBondContact N-O 3Å; I193-N1997 VanDerWaalsContact N-O 3.13Å; I193-N1997 CarbonylContact O-C 3.58Å; I193-G1998 WeakPolarHBondContact O-CA 3.34Å; I193-G1998 PolarHBondContact O-N 3.01Å |
| 194 | P | 62.8 | Low | 64.4 | Low | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | trans | -50.5 | 162.3 | -174.9 | -12.7 | 8.2 | 0 | 0 | 0 | 113.2 | M196 G197 V371 A1951 I1995 S1996 G1998 | P194-M196 PolarHBondContact O-N 2.97Å; P194-G197 VanDerWaalsContact C-N 3.32Å; P194-G197 VanDerWaalsContact CG-CA 3.41Å; P194-G197 PolarHBondContact O-N 3.06Å; P194-V371 WeakPolarHBondContact CD-O 3.41Å; P194-V371 HydrophobicContact CG-CB 3.93Å; P194-V371 HydrophobicContact CG-CG1 4.48Å; P194-V371 WeakPolarHBondContact CG-O 3.39Å; P194-A1951 HydrophobicContact CB-CB 3.82Å; P194-I1995 WeakPolarHBondContact CA-O 3.43Å; P194-I1995 WeakPolarHBondContact CB-O 3.16Å; P194-S1996 WeakPolarHBondContact CD-O 3.43Å; P194-G1998 VanDerWaalsContact C-CA 3.43Å | ||
| 195 | P | 60.5 | Low | 64.8 | Low | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.5 | -176.4 | -11.3 | 12.8 | 0 | 0 | 0 | 112.1 | S346 V392 V1949 I1950 A1951 I1995 G1998 I2000 | P195-S346 WeakPolarHBondContact O-CB 3.41Å; P195-S346 PolarHBondContact O-OG 3.04Å; P195-V392 HydrophobicContact CG-CG2 4.42Å; P195-V1949 VanDerWaalsContact C-CG1 3.41Å; P195-V1949 HydrophobicContact CB-CG1 3.15Å; P195-V1949 WeakPolarHBondContact O-CG1 3.44Å; P195-I1950 WeakPolarHBondContact CB-O 3.23Å; P195-I1950 WeakPolarHBondContact CG-O 3.42Å; P195-A1951 VanDerWaalsContact C-CB 3.43Å; P195-A1951 HydrophobicContact CB-CB 3.62Å; P195-A1951 HydrophobicContact CG-CB 3.6Å; P195-I1995 WeakPolarHBondContact CD-O 3.44Å; P195-G1998 WeakPolarHBondContact CA-O 3.46Å; P195-G1998 WeakPolarHBondContact CB-O 3.39Å; P195-G1998 WeakPolarHBondContact CG-O 3.4Å; P195-G1998 VanDerWaalsContact N-CA 3.32Å; P195-I2000 VanDerWaalsContact CB-O 3.31Å; P195-I2000 WeakPolarHBondContact CB-O 3.32Å; P195-I2000 HydrophobicContact CG-CB 4.29Å; P195-I2000 HydrophobicContact CG-CG1 4.34Å |
| 196 | M | 60.4 | Low | 64.7 | Low | 22 Ų | 22 | 25.8 Ų | 25.8 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | 23.1 | 169.1 | -40.2 | 158.3 | 74 | 0 | 0 | 112.1 | P194 T327 S370 V1949 A1951 E1953 H1954 | P194-M196 PolarHBondContact O-N 2.97Å; M196-T327 VanDerWaalsContact C-OG1 3.22Å; M196-T327 WeakPolarHBondContact CA-OG1 3.02Å; M196-T327 PolarHBondContact O-OG1 3.12Å; M196-S370 PolarHBondContact O-OG 2.84Å; M196-V1949 HydrophobicContact CG-CG1 4.1Å; M196-A1951 HydrophobicContact CB-CB 3.62Å; M196-A1951 HydrophobicContact CG-CB 3.53Å; M196-A1951 HydrophobicContact SD-CB 4.03Å; M196-A1951 PolarHBondContact SD-N 2.6Å; M196-A1951 VanDerWaalsContact SD-N 3.35Å; M196-E1953 HydrophobicContact CB-CG 3.73Å; M196-E1953 HydrophobicContact CE-CG 3.55Å; M196-E1953 HydrophobicContact SD-CG 3.88Å; M196-H1954 WeakPolarHBondContact CE-CE1 3.15Å; M196-H1954 VanDerWaalsContact CE-NE2 3.32Å; M196-H1954 WeakPolarHBondContact CE-NE2 3.37Å; M196-H1954 HydrophobicContact SD-CB 3.98Å; M196-H1954 PolarHBondContact SD-CE1 3.26Å; M196-H1954 PolarHBondContact SD-ND1 3.19Å |
| 197 | G | 62.8 | Low | 64.7 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -74.9 | 159.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I193 P194 G326 T327 S370 | I193-G197 WeakPolarHBondContact CG2-O 3.14Å; P194-G197 VanDerWaalsContact C-N 3.32Å; P194-G197 VanDerWaalsContact CG-CA 3.41Å; P194-G197 PolarHBondContact O-N 3.06Å; G197-G326 WeakPolarHBondContact O-CA 3.46Å; G197-T327 PolarHBondContact O-N 2.7Å; G197-S370 WeakPolarHBondContact CA-O 3.41Å | ||
| 198 | N | 71.1 | Confident | 64.8 | Low | 17 Ų | 17 | 29.3 Ų | 29.3 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.9 | 166.9 | 55.1 | 61 | 0 | 0 | 0 | 112.9 | V324 F325 T327 S369 S370 V372 | N198-V324 HydrophobicContact CB-CG1 3.61Å; N198-F325 WeakPolarHBondContact CA-O 3.33Å; N198-F325 WeakPolarHBondContact CB-O 3.21Å; N198-T327 WeakPolarHBondContact CB-O 3.08Å; N198-T327 PolarHBondContact ND2-O 3.13Å; N198-S369 WeakPolarHBondContact O-CA 3.13Å; N198-S370 PolarHBondContact N-O 2.75Å; N198-S370 PolarHBondContact N-OG 3.42Å; N198-S370 VanDerWaalsContact N-OG 3.09Å; N198-S370 PolarHBondContact ND2-OG 2.81Å; N198-S370 PolarHBondContact O-N 2.68Å; N198-S370 PolarHBondContact OD1-N 2.78Å; N198-S370 PolarHBondContact OD1-OG 3.37Å; N198-V372 WeakPolarHBondContact O-CG2 3.36Å |
| 199 | I | 73 | Confident | 64.6 | Low | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 111.4 | 169.2 | -57.1 | 174.6 | 0 | 0 | 0 | 106.4 | M191 I193 F201 V324 F325 F363 A366 V372 | M191-I199 HydrophobicContact CB-CD1 3.93Å; I193-I199 HydrophobicContact CD1-CD1 3.61Å; I193-I199 HydrophobicContact CD1-CG1 4.11Å; I193-I199 HydrophobicContact CG1-CD1 3.82Å; I193-I199 HydrophobicContact CG1-CG1 4.35Å; I199-F201 HydrophobicContact CB-CE2 4.46Å; I199-F201 HydrophobicContact CG2-CD2 3.91Å; I199-F201 HydrophobicContact CG2-CE2 3.31Å; I199-F201 HydrophobicContact CG2-CZ 3.7Å; I199-V324 WeakPolarHBondContact O-CA 3.16Å; I199-F325 HydrophobicContact CB-CB 4.4Å; I199-F325 HydrophobicContact CB-CD2 4.37Å; I199-F325 PolarHBondContact N-O 2.83Å; I199-F325 VanDerWaalsContact N-O 3.1Å; I199-F325 PolarHBondContact O-N 2.82Å; I199-F363 HydrophobicContact CD1-CD1 3.69Å; I199-F363 HydrophobicContact CD1-CE1 3.64Å; I199-F363 HydrophobicContact CG2-CD1 3.78Å; I199-F363 HydrophobicContact CG2-CE1 4.21Å; I199-A366 HydrophobicContact CG2-CB 4.02Å; I199-V372 HydrophobicContact CD1-CG1 3.79Å; I199-V372 HydrophobicContact CD1-CG2 4.47Å; I199-V372 HydrophobicContact CG1-CG1 3.99Å; I199-V372 HydrophobicContact CG1-CG2 3.77Å |
| 200 | R | 75.4 | Confident | 64.3 | Low | 39 Ų | 39 | 40.9 Ų | 40.9 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.8 | -177.6 | -173.6 | 170.1 | -165.5 | 159.8 | 6 | 112 | E322 V324 E330 A366 I367 S368 | R200-E322 IonicContact CZ-OE2 3.79Å; R200-E322 IonicContact NE-OE2 3.76Å; R200-E322 PolarHBondContact NE-OE2 2.86Å; R200-E322 IonicContact NH2-OE2 2.82Å; R200-E322 PolarHBondContact NH2-OE2 2.65Å; R200-V324 HydrophobicContact CB-CG2 4.33Å; R200-V324 HydrophobicContact CG-CG2 4.01Å; R200-E330 IonicContact CZ-OE1 3.2Å; R200-E330 IonicContact CZ-OE2 3.37Å; R200-E330 IonicContact NH1-OE1 3.11Å; R200-E330 PolarHBondContact NH1-OE1 2.88Å; R200-E330 IonicContact NH1-OE2 2.69Å; R200-E330 PolarHBondContact NH1-OE2 3.38Å; R200-E330 IonicContact NH2-OE1 2.8Å; R200-E330 IonicContact NH2-OE2 3.96Å; R200-E330 PolarHBondContact NH2-OE2 3.1Å; R200-A366 WeakPolarHBondContact O-CA 3.43Å; R200-I367 HydrophobicContact CG-CD1 4.19Å; R200-I367 PolarHBondContact O-N 3.49Å; R200-S368 WeakPolarHBondContact CB-OG 3.04Å; R200-S368 PolarHBondContact N-O 2.84Å; R200-S368 VanDerWaalsContact N-O 3.08Å |
| 201 | F | 77.7 | Confident | 63.5 | Low | 10 Ų | 10 | 43.8 Ų | 43.8 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.4 | 176.6 | -67.4 | -75.4 | 0 | 0 | 0 | 112.1 | I199 E322 I323 F325 L361 F363 A366 | I199-F201 HydrophobicContact CB-CE2 4.46Å; I199-F201 HydrophobicContact CG2-CD2 3.91Å; I199-F201 HydrophobicContact CG2-CE2 3.31Å; I199-F201 HydrophobicContact CG2-CZ 3.7Å; F201-E322 WeakPolarHBondContact O-CA 3.07Å; F201-I323 HydrophobicContact CB-CG2 3.87Å; F201-I323 HydrophobicContact CD2-CG2 4.3Å; F201-I323 PolarHBondContact N-O 3.3Å; F201-I323 PolarHBondContact O-N 2.76Å; F201-F325 HydrophobicContact CD2-CD2 4.24Å; F201-F325 HydrophobicContact CD2-CE2 4.1Å; F201-F325 HydrophobicContact CE2-CD2 4.06Å; F201-F325 AromaticContact CE2-CE2 3.85Å; F201-F325 HydrophobicContact CE2-CE2 3.85Å; F201-L361 HydrophobicContact CD2-CB 4.3Å; F201-L361 HydrophobicContact CD2-CD1 4.13Å; F201-L361 HydrophobicContact CE1-CB 4.12Å; F201-L361 HydrophobicContact CE2-CB 3.86Å; F201-L361 HydrophobicContact CE2-CD1 4.29Å; F201-L361 HydrophobicContact CG-CD2 4.48Å; F201-L361 HydrophobicContact CZ-CB 3.74Å; F201-L361 WeakPolarHBondContact CZ-O 3.42Å; F201-F363 AromaticContact CE2-CD1 3.93Å; F201-F363 HydrophobicContact CE2-CD1 3.93Å; F201-F363 AromaticContact CE2-CE1 3.99Å; F201-F363 HydrophobicContact CE2-CE1 3.99Å; F201-F363 HydrophobicContact CZ-CB 4.49Å; F201-F363 AromaticContact CZ-CD1 3.52Å; F201-F363 HydrophobicContact CZ-CD1 3.52Å; F201-F363 AromaticContact CZ-CE1 3.97Å; F201-F363 HydrophobicContact CZ-CE1 3.97Å; F201-F363 HydrophobicContact CZ-CG 4.11Å; F201-A366 HydrophobicContact CE1-CB 4.27Å |
| 202 | D | 72.8 | Confident | 62.6 | Low | 40 Ų | 40 | 46.9 Ų | 46.9 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.9 | 167.5 | 167.8 | 32.9 | 0 | 0 | 0 | 110.3 | S204 S205 I367 | D202-S204 VanDerWaalsContact C-N 3.3Å; D202-S204 VanDerWaalsContact OD1-CA 3.32Å; D202-S204 WeakPolarHBondContact OD1-CA 3.48Å; D202-S204 VanDerWaalsContact OD1-CB 3.28Å; D202-S204 WeakPolarHBondContact OD1-CB 3.38Å; D202-S204 PolarHBondContact OD1-N 2.82Å; D202-S204 PolarHBondContact OD1-OG 2.76Å; D202-S205 WeakPolarHBondContact O-CB 3.43Å; D202-S205 PolarHBondContact O-N 2.95Å; D202-S205 PolarHBondContact O-OG 3.14Å; D202-S205 PolarHBondContact OD1-N 2.86Å; D202-S205 WeakPolarHBondContact OD2-CB 3.03Å; D202-S205 PolarHBondContact OD2-N 3.19Å; D202-I367 HydrophobicContact CB-CD1 3.62Å; D202-I367 HydrophobicContact CB-CG1 4.33Å |
| 203 | L | 75 | Confident | 61.8 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6.3 | 177 | -56 | 176.5 | 0 | 0 | 0 | 112.6 | S205 L208 F233 R321 I323 W356 L361 | L203-S205 VanDerWaalsContact C-N 3.34Å; L203-L208 HydrophobicContact CD2-CD1 4.08Å; L203-L208 HydrophobicContact CD2-CD2 4.26Å; L203-L208 WeakPolarHBondContact O-CB 3.45Å; L203-F233 HydrophobicContact CD1-CD2 3.89Å; L203-F233 HydrophobicContact CD1-CE2 3.8Å; L203-R321 WeakPolarHBondContact CA-O 3.12Å; L203-R321 HydrophobicContact CB-CB 3.89Å; L203-R321 WeakPolarHBondContact CB-O 3.22Å; L203-R321 PolarHBondContact N-O 2.84Å; L203-I323 HydrophobicContact CD1-CB 3.98Å; L203-I323 HydrophobicContact CD1-CG2 3.84Å; L203-I323 HydrophobicContact CD2-CG2 3.89Å; L203-I323 HydrophobicContact CG-CG2 3.94Å; L203-W356 HydrophobicContact CD1-CD2 3.84Å; L203-W356 HydrophobicContact CD1-CE3 3.8Å; L203-W356 HydrophobicContact CD1-CH2 4.14Å; L203-W356 HydrophobicContact CD1-CZ2 4.14Å; L203-W356 HydrophobicContact CD1-CZ3 3.96Å; L203-W356 HydrophobicContact CD2-CD2 4.28Å; L203-W356 HydrophobicContact CD2-CG 4.19Å; L203-L361 HydrophobicContact CD2-CD2 3.79Å |
| 204 | S | 64.8 | Low | 61.4 | Low | 38 Ų | 38 | 58 Ų | 58 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7 | 169.7 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | D202 K209 R321 | D202-S204 VanDerWaalsContact C-N 3.3Å; D202-S204 VanDerWaalsContact OD1-CA 3.32Å; D202-S204 WeakPolarHBondContact OD1-CA 3.48Å; D202-S204 VanDerWaalsContact OD1-CB 3.28Å; D202-S204 WeakPolarHBondContact OD1-CB 3.38Å; D202-S204 PolarHBondContact OD1-N 2.82Å; D202-S204 PolarHBondContact OD1-OG 2.76Å; S204-K209 WeakPolarHBondContact O-CE 3.41Å; S204-R321 PolarHBondContact N-O 2.71Å |
| 205 | S | 57 | Low | 61.8 | Low | 49 Ų | 49 | 58 Ų | 58 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -64.3 | 164.1 | 173.1 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | D202 L203 N207 L208 | D202-S205 WeakPolarHBondContact O-CB 3.43Å; D202-S205 PolarHBondContact O-N 2.95Å; D202-S205 PolarHBondContact O-OG 3.14Å; D202-S205 PolarHBondContact OD1-N 2.86Å; D202-S205 WeakPolarHBondContact OD2-CB 3.03Å; D202-S205 PolarHBondContact OD2-N 3.19Å; L203-S205 VanDerWaalsContact C-N 3.34Å; S205-N207 VanDerWaalsContact C-N 3.34Å; S205-N207 PolarHBondContact O-N 2.8Å; S205-L208 PolarHBondContact O-N 3.34Å |
| 206 | G | 48.7 | Very low | 62.8 | Low | 62 Ų | 62 | 59.2 Ų | 59.2 | 64% | 0.639 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.8 | -152.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 207 | N | 50.2 | Low | 64.1 | Low | 152 Ų | 152 | 58.2 Ų | 58.2 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -22.9 | -175.7 | -73.3 | -10.1 | 0 | 0 | 0 | 114.3 | S205 K209 | S205-N207 VanDerWaalsContact C-N 3.34Å; S205-N207 PolarHBondContact O-N 2.8Å; N207-K209 PolarHBondContact O-N 3.33Å |
| 208 | L | 53.6 | Low | 65.3 | Low | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.7 | -171.5 | -75.9 | 153.4 | 0 | 0 | 0 | 114 | L203 S205 R210 W356 L361 | L203-L208 HydrophobicContact CD2-CD1 4.08Å; L203-L208 HydrophobicContact CD2-CD2 4.26Å; L203-L208 WeakPolarHBondContact O-CB 3.45Å; S205-L208 PolarHBondContact O-N 3.34Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.1Å; L208-W356 HydrophobicContact CD2-CB 4.07Å; L208-W356 HydrophobicContact CD2-CG 4.4Å; L208-L361 HydrophobicContact CD1-CD2 4.09Å; L208-L361 HydrophobicContact CD2-CD2 3.87Å |
| 209 | K | 49.3 | Very low | 66.2 | Low | 132 Ų | 132 | 62.1 Ų | 62.1 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.6 | -168.3 | -65.6 | -172.3 | 171.6 | -174.5 | 0 | 116 | S204 N207 F211 | S204-K209 WeakPolarHBondContact O-CE 3.41Å; N207-K209 PolarHBondContact O-N 3.33Å; K209-F211 PolarHBondContact O-N 2.98Å; K209-F211 VanDerWaalsContact O-N 3.11Å |
| 210 | R | 49.6 | Very low | 66.9 | Low | 230 Ų | 230 | 65 Ų | 65 | 87% | 0.868 | 33% | 0.334 | S | S | * | . | trans | -76.3 | 97 | -177.7 | -79.2 | -173.9 | 172.6 | -178.8 | -1.8 | 111.6 | L208 | L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.1Å | ||
| 211 | F | 50.2 | Low | 67.5 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | trans | -99.9 | 118.5 | 165.1 | -134.6 | -72.6 | 0 | 0 | 0 | 108.1 | K209 T215 F233 I287 W356 | K209-F211 PolarHBondContact O-N 2.98Å; K209-F211 VanDerWaalsContact O-N 3.11Å; F211-T215 HydrophobicContact CD1-CG2 4.35Å; F211-T215 WeakPolarHBondContact CD1-OG1 3.42Å; F211-T215 HydrophobicContact CE1-CG2 4.33Å; F211-F233 HydrophobicContact CE2-CZ 4.29Å; F211-I287 HydrophobicContact CZ-CD1 4.28Å; F211-W356 HydrophobicContact CD2-CZ2 4.33Å; F211-W356 AromaticContact CE2-CZ2 3.64Å; F211-W356 HydrophobicContact CE2-CZ2 3.64Å; F211-W356 HydrophobicContact CZ-CZ2 4.09Å | ||
| 212 | T | 54.3 | Low | 68 | Low | 92 Ų | 92 | 64.5 Ų | 64.5 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | trans | -93.9 | 159.7 | 170.1 | 34.3 | 0 | 0 | 0 | 0 | 110.3 | V214 T215 | T212-V214 WeakPolarHBondContact CB-O 3.16Å; T212-V214 CarbonylContact O-C 3.55Å; T212-V214 PolarHBondContact O-N 3.33Å; T212-V214 PolarHBondContact OG1-O 2.79Å; T212-T215 PolarHBondContact N-OG1 2.74Å; T212-T215 PolarHBondContact O-OG1 2.85Å; T212-T215 PolarHBondContact OG1-OG1 2.83Å | ||
| 213 | H | 56.4 | Low | 68.4 | Low | 152 Ų | 152 | 62.6 Ų | 62.6 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -52.4 | -22 | 178 | -74.8 | -78.2 | 0 | 0 | 0 | 114.3 | T288 A289 | H213-T288 WeakPolarHBondContact O-CA 3.33Å; H213-A289 PolarHBondContact O-N 2.99Å |
| 214 | V | 64.3 | Low | 68.6 | Low | 82 Ų | 82 | 62.7 Ų | 62.7 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.7 | 166.7 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | T212 V286 I287 T288 | T212-V214 WeakPolarHBondContact CB-O 3.16Å; T212-V214 CarbonylContact O-C 3.55Å; T212-V214 PolarHBondContact O-N 3.33Å; T212-V214 PolarHBondContact OG1-O 2.79Å; V214-V286 HydrophobicContact CG1-CG1 3.3Å; V214-I287 WeakPolarHBondContact CA-O 3.22Å; V214-T288 HydrophobicContact CG1-CG2 4.36Å; V214-T288 HydrophobicContact CG2-CG2 4.15Å |
| 215 | T | 70.5 | Confident | 69 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.7 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | F211 T212 I287 W356 | F211-T215 HydrophobicContact CD1-CG2 4.35Å; F211-T215 WeakPolarHBondContact CD1-OG1 3.42Å; F211-T215 HydrophobicContact CE1-CG2 4.33Å; T212-T215 PolarHBondContact N-OG1 2.74Å; T212-T215 PolarHBondContact O-OG1 2.85Å; T212-T215 PolarHBondContact OG1-OG1 2.83Å; T215-I287 PolarHBondContact N-O 3.03Å; T215-I287 PolarHBondContact O-N 2.87Å; T215-I287 VanDerWaalsContact O-N 3.11Å; T215-W356 HydrophobicContact CG2-CZ2 4.41Å |
| 216 | P | 80.7 | Confident | 69.8 | Low | 27 Ų | 27 | 59.8 Ų | 59.8 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 141.7 | 176.3 | 33.3 | -32.9 | 0 | 0 | 0 | 111.2 | M285 G357 | P216-M285 CarbonylContact C-O 3.58Å; P216-M285 WeakPolarHBondContact CA-O 3.32Å; P216-G357 WeakPolarHBondContact O-CA 3.43Å; P216-G357 PolarHBondContact O-N 3.26Å |
| 217 | F | 87.7 | Confident | 70.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.3 | 165.4 | 177.5 | -121 | 0 | 0 | 0 | 108.3 | F219 F231 S284 M285 I323 F325 Y355 W356 L361 | F217-F219 HydrophobicContact CD1-CD1 4.03Å; F217-F219 AromaticContact CD1-CE1 3.9Å; F217-F219 HydrophobicContact CD1-CE1 3.9Å; F217-F219 AromaticContact CE1-CD1 3.51Å; F217-F219 HydrophobicContact CE1-CD1 3.51Å; F217-F219 AromaticContact CE1-CE1 3.44Å; F217-F219 HydrophobicContact CE1-CE1 3.44Å; F217-F219 VanDerWaalsContact CE1-CE1 3.44Å; F217-F219 AromaticContact CZ-CD1 3.81Å; F217-F219 HydrophobicContact CZ-CD1 3.81Å; F217-F219 HydrophobicContact CZ-CE1 4.18Å; F217-F231 HydrophobicContact CD1-CD1 4.38Å; F217-F231 AromaticContact CD1-CE1 3.84Å; F217-F231 HydrophobicContact CD1-CE1 3.84Å; F217-F231 HydrophobicContact CD1-CE2 4.31Å; F217-F231 AromaticContact CD1-CZ 3.82Å; F217-F231 HydrophobicContact CD1-CZ 3.82Å; F217-F231 AromaticContact CE1-CD1 3.66Å; F217-F231 HydrophobicContact CE1-CD1 3.66Å; F217-F231 HydrophobicContact CE1-CD2 4.22Å; F217-F231 AromaticContact CE1-CE1 3.57Å; F217-F231 HydrophobicContact CE1-CE1 3.57Å; F217-F231 HydrophobicContact CE1-CE2 4.19Å; F217-F231 AromaticContact CE1-CG 3.99Å; F217-F231 HydrophobicContact CE1-CG 3.99Å; F217-F231 AromaticContact CE1-CZ 3.88Å; F217-F231 HydrophobicContact CE1-CZ 3.88Å; F217-S284 WeakPolarHBondContact O-CA 3.47Å; F217-M285 HydrophobicContact CB-CE 3.84Å; F217-M285 HydrophobicContact CD1-CE 3.97Å; F217-M285 HydrophobicContact CG-CE 4.3Å; F217-M285 PolarHBondContact N-O 2.91Å; F217-M285 PolarHBondContact O-N 2.61Å; F217-I323 HydrophobicContact CD1-CD1 4.39Å; F217-I323 HydrophobicContact CE1-CD1 3.61Å; F217-I323 HydrophobicContact CE2-CD1 3.81Å; F217-I323 HydrophobicContact CZ-CD1 3.27Å; F217-F325 HydrophobicContact CE1-CE1 4.34Å; F217-F325 HydrophobicContact CE2-CZ 4.23Å; F217-F325 AromaticContact CZ-CE1 3.69Å; F217-F325 HydrophobicContact CZ-CE1 3.69Å; F217-F325 AromaticContact CZ-CZ 3.58Å; F217-F325 HydrophobicContact CZ-CZ 3.58Å; F217-Y355 VanDerWaalsContact CD2-O 3.3Å; F217-Y355 WeakPolarHBondContact CD2-O 3.33Å; F217-W356 HydrophobicContact CB-CE3 4.2Å; F217-W356 HydrophobicContact CB-CZ3 4.12Å; F217-W356 HydrophobicContact CD2-CD2 4.4Å; F217-W356 AromaticContact CD2-CE3 3.45Å; F217-W356 HydrophobicContact CD2-CE3 3.45Å; F217-W356 VanDerWaalsContact CD2-CE3 3.45Å; F217-W356 AromaticContact CD2-CZ3 3.98Å; F217-W356 HydrophobicContact CD2-CZ3 3.98Å; F217-W356 HydrophobicContact CE2-CE3 4Å; F217-W356 AromaticContact CG-CE3 3.95Å; F217-W356 HydrophobicContact CG-CE3 3.95Å; F217-W356 HydrophobicContact CG-CZ3 4.01Å; F217-L361 HydrophobicContact CE2-CD1 4.14Å |
| 218 | K | 88.1 | Confident | 71.9 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.3 | -171.3 | -60 | 171.3 | -174.8 | 163.8 | 0 | 110.1 | V283 A354 Y355 | K218-V283 WeakPolarHBondContact CA-O 3.39Å; K218-A354 WeakPolarHBondContact O-CA 3.44Å; K218-Y355 PolarHBondContact N-O 3.15Å; K218-Y355 PolarHBondContact O-N 2.8Å |
| 219 | F | 90.2 | Very high | 72.9 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 160.8 | 169.3 | 56.5 | -82.1 | 0 | 0 | 0 | 110.1 | F217 L221 V230 F231 L248 V283 I351 E353 A354 | F217-F219 HydrophobicContact CD1-CD1 4.03Å; F217-F219 AromaticContact CD1-CE1 3.9Å; F217-F219 HydrophobicContact CD1-CE1 3.9Å; F217-F219 AromaticContact CE1-CD1 3.51Å; F217-F219 HydrophobicContact CE1-CD1 3.51Å; F217-F219 AromaticContact CE1-CE1 3.44Å; F217-F219 HydrophobicContact CE1-CE1 3.44Å; F217-F219 VanDerWaalsContact CE1-CE1 3.44Å; F217-F219 AromaticContact CZ-CD1 3.81Å; F217-F219 HydrophobicContact CZ-CD1 3.81Å; F217-F219 HydrophobicContact CZ-CE1 4.18Å; F219-L221 HydrophobicContact CD2-CB 4.24Å; F219-L221 HydrophobicContact CE2-CB 4.04Å; F219-L221 HydrophobicContact CE2-CD2 4.39Å; F219-V230 HydrophobicContact CE2-CG1 3.65Å; F219-V230 HydrophobicContact CZ-CG1 3.82Å; F219-F231 AromaticContact CE1-CD1 3.88Å; F219-F231 HydrophobicContact CE1-CD1 3.88Å; F219-F231 AromaticContact CE1-CE1 3.78Å; F219-F231 HydrophobicContact CE1-CE1 3.78Å; F219-F231 AromaticContact CZ-CD1 3.95Å; F219-F231 HydrophobicContact CZ-CD1 3.95Å; F219-F231 HydrophobicContact CZ-CE1 4.06Å; F219-L248 HydrophobicContact CE1-CD2 4.48Å; F219-L248 HydrophobicContact CZ-CD2 3.73Å; F219-V283 HydrophobicContact CD2-CB 4.35Å; F219-V283 HydrophobicContact CE1-CB 4.15Å; F219-V283 HydrophobicContact CE1-CG1 4.03Å; F219-V283 HydrophobicContact CE2-CB 3.86Å; F219-V283 HydrophobicContact CE2-CG1 4.27Å; F219-V283 HydrophobicContact CE2-CG2 4.02Å; F219-V283 HydrophobicContact CZ-CB 3.74Å; F219-V283 HydrophobicContact CZ-CG1 3.66Å; F219-V283 HydrophobicContact CZ-CG2 4.26Å; F219-V283 PolarHBondContact N-O 3.08Å; F219-V283 VanDerWaalsContact N-O 3.13Å; F219-V283 PolarHBondContact O-N 2.75Å; F219-I351 HydrophobicContact CB-CG2 4.13Å; F219-I351 HydrophobicContact CD2-CG2 4.32Å; F219-I351 HydrophobicContact CG-CG2 4.48Å; F219-E353 WeakPolarHBondContact CA-O 3.38Å; F219-A354 HydrophobicContact CB-CB 4.43Å |
| 220 | K | 87.8 | Confident | 74.4 | Confident | 63 Ų | 63 | 42.4 Ų | 42.4 | 27% | 0.274 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138 | 166 | -70.3 | 177.3 | 174.9 | 161.3 | 0 | 109.3 | W280 I351 Q352 E353 | K220-W280 HydrophobicContact CB-CD2 4.45Å; K220-W280 HydrophobicContact CB-CE3 3.55Å; K220-W280 HydrophobicContact CB-CZ3 3.76Å; K220-I351 WeakPolarHBondContact O-CA 3.25Å; K220-Q352 PolarHBondContact N-O 3.13Å; K220-Q352 PolarHBondContact O-N 2.78Å; K220-E353 WeakPolarHBondContact CE-OE2 3.3Å; K220-E353 IonicContact NZ-OE1 2.74Å; K220-E353 PolarHBondContact NZ-OE1 3.45Å; K220-E353 IonicContact NZ-OE2 3.36Å; K220-E353 PolarHBondContact NZ-OE2 2.83Å |
| 221 | L | 89.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.1 | -180 | 175.9 | 56.4 | 0 | 0 | 0 | 109 | F219 T223 V230 I250 L255 I275 H281 V283 M349 C350 | F219-L221 HydrophobicContact CD2-CB 4.24Å; F219-L221 HydrophobicContact CE2-CB 4.04Å; F219-L221 HydrophobicContact CE2-CD2 4.39Å; L221-T223 HydrophobicContact CD1-CG2 4.46Å; L221-T223 HydrophobicContact CD2-CG2 4.44Å; L221-T223 HydrophobicContact CG-CG2 4.08Å; L221-V230 HydrophobicContact CD1-CG1 4.33Å; L221-V230 HydrophobicContact CD2-CG1 4.04Å; L221-V230 HydrophobicContact CD2-CG2 4.08Å; L221-I250 HydrophobicContact CD2-CD1 4.43Å; L221-L255 HydrophobicContact CD2-CD2 4.33Å; L221-I275 HydrophobicContact CD2-CD1 3.41Å; L221-I275 VanDerWaalsContact CD2-CD1 3.41Å; L221-I275 HydrophobicContact CG-CD1 4.32Å; L221-H281 PolarHBondContact N-O 3Å; L221-H281 PolarHBondContact O-N 2.96Å; L221-V283 HydrophobicContact CB-CG2 4.04Å; L221-V283 HydrophobicContact CD2-CG2 4.25Å; L221-M349 HydrophobicContact CD1-CB 3.33Å; L221-C350 WeakPolarHBondContact CA-O 3.2Å |
| 222 | R | 87.4 | Confident | 77.5 | Confident | 38 Ų | 38 | 28.7 Ų | 28.7 | 14% | 0.143 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.6 | 169 | -163 | 174.5 | 174.2 | -164.9 | -1 | 109.2 | G278 L279 W280 L348 M349 C350 L380 D381 | R222-G278 WeakPolarHBondContact CG-O 3.41Å; R222-G278 PolarHBondContact NE-O 2.99Å; R222-G278 PolarHBondContact NH2-O 3.27Å; R222-L279 WeakPolarHBondContact CA-O 3.44Å; R222-W280 HydrophobicContact CB-CD2 3.61Å; R222-W280 HydrophobicContact CB-CE3 3.52Å; R222-W280 HydrophobicContact CB-CG 4.21Å; R222-W280 HydrophobicContact CB-CH2 4.12Å; R222-W280 HydrophobicContact CB-CZ2 4.18Å; R222-W280 HydrophobicContact CB-CZ3 3.78Å; R222-W280 HydrophobicContact CG-CD2 4.24Å; R222-W280 HydrophobicContact CG-CG 4.38Å; R222-L348 WeakPolarHBondContact O-CD2 2.98Å; R222-M349 WeakPolarHBondContact O-CA 3.29Å; R222-C350 HydrophobicContact CB-CB 3.89Å; R222-C350 PolarHBondContact N-O 3.03Å; R222-C350 PolarHBondContact O-N 2.97Å; R222-L380 HydrophobicContact CB-CD1 4.08Å; R222-L380 HydrophobicContact CG-CD1 3.55Å; R222-L380 HydrophobicContact CG-CD2 4.34Å; R222-L380 HydrophobicContact CG-CG 4.4Å; R222-L380 VanDerWaalsContact NH2-C 3.25Å; R222-L380 PolarHBondContact NH2-O 2.99Å; R222-D381 IonicContact NH2-OD2 3.22Å |
| 223 | T | 82.3 | Confident | 79 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -159.4 | 142.2 | -167.4 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | L221 S225 I250 I275 N276 G278 L348 | L221-T223 HydrophobicContact CD1-CG2 4.46Å; L221-T223 HydrophobicContact CD2-CG2 4.44Å; L221-T223 HydrophobicContact CG-CG2 4.08Å; T223-S225 VanDerWaalsContact C-N 3.34Å; T223-S225 WeakPolarHBondContact OG1-CB 3.03Å; T223-S225 PolarHBondContact OG1-N 2.92Å; T223-S225 PolarHBondContact OG1-OG 2.85Å; T223-I250 HydrophobicContact CG2-CD1 3.96Å; T223-I275 HydrophobicContact CG2-CD1 3.89Å; T223-I275 HydrophobicContact CG2-CG1 4.19Å; T223-I275 WeakPolarHBondContact CG2-O 3.45Å; T223-N276 CarbonylContact O-C 3.59Å; T223-G278 VanDerWaalsContact O-CA 3.29Å; T223-G278 WeakPolarHBondContact O-CA 3.28Å; T223-G278 PolarHBondContact O-N 3.48Å; T223-L348 WeakPolarHBondContact CA-O 3.34Å; T223-L348 WeakPolarHBondContact CB-O 3.04Å; T223-L348 PolarHBondContact OG1-O 2.97Å | ||
| 224 | S | 77.2 | Confident | 80 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | trans | -96 | 12.9 | 164.8 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | N276 S1982 N1983 H1999 | S224-N276 CarbonylContact C-O 3.55Å; S224-N276 WeakPolarHBondContact CA-O 3.27Å; S224-N276 WeakPolarHBondContact O-CB 3.36Å; S224-S1982 PolarHBondContact OG-OG 2.8Å; S224-N1983 WeakPolarHBondContact O-CA 3.46Å; S224-N1983 WeakPolarHBondContact O-CB 3.24Å; S224-N1983 PolarHBondContact O-N 2.84Å; S224-N1983 VanDerWaalsContact O-N 3.09Å; S224-H1999 PolarHBondContact OG-CD2 2.88Å; S224-H1999 PolarHBondContact OG-NE2 3.34Å | ||
| 225 | S | 73.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -93.6 | 119.3 | -151.4 | -51.6 | 0 | 0 | 0 | 0 | 117.7 | T223 S227 I250 N276 S347 L348 S1982 | T223-S225 VanDerWaalsContact C-N 3.34Å; T223-S225 WeakPolarHBondContact OG1-CB 3.03Å; T223-S225 PolarHBondContact OG1-N 2.92Å; T223-S225 PolarHBondContact OG1-OG 2.85Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 2.81Å; S225-I250 VanDerWaalsContact O-CG2 3.32Å; S225-I250 WeakPolarHBondContact O-CG2 3.17Å; S225-N276 WeakPolarHBondContact O-CB 3.41Å; S225-S347 WeakPolarHBondContact OG-CB 3.46Å; S225-L348 PolarHBondContact OG-N 2.81Å; S225-L348 PolarHBondContact OG-O 2.64Å; S225-S1982 VanDerWaalsContact CA-CB 3.43Å; S225-S1982 WeakPolarHBondContact CA-OG 3.5Å; S225-S1982 WeakPolarHBondContact CB-OG 3.43Å; S225-S1982 WeakPolarHBondContact OG-CB 3.36Å; S225-S1982 PolarHBondContact OG-OG 3.49Å | ||
| 226 | S | 75.2 | Confident | 80.6 | Confident | 25 Ų | 25 | 17.9 Ų | 17.9 | 18% | 0.175 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -71.5 | -18.6 | 173.4 | 72.4 | 0 | 0 | 0 | 0 | 114.4 | N251 D252 G253 S1982 | S226-N251 CarbonylContact O-C 3.52Å; S226-D252 CarbonylContact O-C 3.51Å; S226-D252 WeakPolarHBondContact O-CA 3.44Å; S226-D252 PolarHBondContact O-N 2.57Å; S226-G253 PolarHBondContact O-N 3Å; S226-S1982 WeakPolarHBondContact CA-O 3.25Å; S226-S1982 WeakPolarHBondContact CB-O 2.98Å; S226-S1982 PolarHBondContact N-O 3.12Å; S226-S1982 PolarHBondContact OG-O 3.31Å |
| 227 | S | 70.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 17.8 Ų | 17.8 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.2 | 168.1 | -65 | 0 | 0 | 0 | 0 | 109.6 | S225 I250 R345 S347 Q1947 | S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 2.81Å; S227-I250 CarbonylContact C-O 3.49Å; S227-I250 WeakPolarHBondContact CA-O 3.31Å; S227-R345 CarbonylContact C-O 3.54Å; S227-R345 WeakPolarHBondContact CB-O 3.3Å; S227-S347 WeakPolarHBondContact O-CB 3.35Å; S227-S347 PolarHBondContact O-OG 3.31Å; S227-Q1947 PolarHBondContact OG-NE2 3.05Å |
| 228 | A | 71.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 159.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N249 I250 R345 M349 | A228-N249 CarbonylContact O-C 3.54Å; A228-N249 WeakPolarHBondContact O-CA 3.48Å; A228-N249 VanDerWaalsContact O-CB 3.31Å; A228-N249 WeakPolarHBondContact O-CB 3.36Å; A228-I250 HydrophobicContact CB-CB 4.23Å; A228-I250 HydrophobicContact CB-CD1 3.67Å; A228-I250 HydrophobicContact CB-CG1 3.75Å; A228-I250 PolarHBondContact N-O 3.09Å; A228-I250 PolarHBondContact O-N 2.69Å; A228-R345 VanDerWaalsContact CA-O 3.31Å; A228-R345 WeakPolarHBondContact CA-O 3.05Å; A228-R345 PolarHBondContact N-O 2.88Å; A228-M349 HydrophobicContact CB-CE 3.74Å |
| 229 | S | 74.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111 | 156.4 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | G326 M349 | S229-G326 PolarHBondContact OG-O 3.42Å; S229-M349 WeakPolarHBondContact O-CE 3.44Å |
| 230 | V | 81.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -52.7 | -176.3 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | F219 L221 L248 I250 L255 F325 G326 M349 I351 | F219-V230 HydrophobicContact CE2-CG1 3.65Å; F219-V230 HydrophobicContact CZ-CG1 3.82Å; L221-V230 HydrophobicContact CD1-CG1 4.33Å; L221-V230 HydrophobicContact CD2-CG1 4.04Å; L221-V230 HydrophobicContact CD2-CG2 4.08Å; V230-L248 WeakPolarHBondContact CA-O 3.34Å; V230-L248 HydrophobicContact CB-CD2 4.2Å; V230-L248 HydrophobicContact CB-CG 4.43Å; V230-L248 VanDerWaalsContact CB-O 3.25Å; V230-L248 WeakPolarHBondContact CB-O 3.5Å; V230-L248 HydrophobicContact CG1-CD2 4.28Å; V230-L248 PolarHBondContact N-O 2.76Å; V230-I250 HydrophobicContact CG2-CD1 4.1Å; V230-I250 HydrophobicContact CG2-CG1 3.56Å; V230-L255 HydrophobicContact CG2-CD2 4.11Å; V230-F325 WeakPolarHBondContact O-CA 3.27Å; V230-G326 PolarHBondContact O-N 3.02Å; V230-M349 HydrophobicContact CB-SD 4.48Å; V230-M349 HydrophobicContact CG1-SD 4.29Å; V230-I351 HydrophobicContact CG1-CD1 4.38Å |
| 231 | F | 84.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 152.2 | 169.6 | 75.1 | -94.6 | 0 | 0 | 0 | 112.5 | F217 F219 F233 I246 L248 M285 I323 V324 F325 | F217-F231 HydrophobicContact CD1-CD1 4.38Å; F217-F231 AromaticContact CD1-CE1 3.84Å; F217-F231 HydrophobicContact CD1-CE1 3.84Å; F217-F231 HydrophobicContact CD1-CE2 4.31Å; F217-F231 AromaticContact CD1-CZ 3.82Å; F217-F231 HydrophobicContact CD1-CZ 3.82Å; F217-F231 AromaticContact CE1-CD1 3.66Å; F217-F231 HydrophobicContact CE1-CD1 3.66Å; F217-F231 HydrophobicContact CE1-CD2 4.22Å; F217-F231 AromaticContact CE1-CE1 3.57Å; F217-F231 HydrophobicContact CE1-CE1 3.57Å; F217-F231 HydrophobicContact CE1-CE2 4.19Å; F217-F231 AromaticContact CE1-CG 3.99Å; F217-F231 HydrophobicContact CE1-CG 3.99Å; F217-F231 AromaticContact CE1-CZ 3.88Å; F217-F231 HydrophobicContact CE1-CZ 3.88Å; F219-F231 AromaticContact CE1-CD1 3.88Å; F219-F231 HydrophobicContact CE1-CD1 3.88Å; F219-F231 AromaticContact CE1-CE1 3.78Å; F219-F231 HydrophobicContact CE1-CE1 3.78Å; F219-F231 AromaticContact CZ-CD1 3.95Å; F219-F231 HydrophobicContact CZ-CD1 3.95Å; F219-F231 HydrophobicContact CZ-CE1 4.06Å; F231-F233 HydrophobicContact CD2-CB 4.22Å; F231-F233 HydrophobicContact CE2-CB 4.06Å; F231-I246 HydrophobicContact CE2-CG2 4.44Å; F231-L248 HydrophobicContact CD1-CB 3.65Å; F231-L248 HydrophobicContact CD1-CD2 4.01Å; F231-L248 HydrophobicContact CD1-CG 4.48Å; F231-L248 HydrophobicContact CE1-CB 3.32Å; F231-L248 HydrophobicContact CE1-CD2 3.62Å; F231-L248 HydrophobicContact CE1-CG 4.08Å; F231-L248 HydrophobicContact CG-CB 4.38Å; F231-L248 HydrophobicContact CZ-CB 3.79Å; F231-L248 PolarHBondContact N-O 2.78Å; F231-L248 PolarHBondContact O-N 2.73Å; F231-M285 HydrophobicContact CE2-CE 4.03Å; F231-M285 HydrophobicContact CZ-CE 3.67Å; F231-M285 HydrophobicContact CZ-SD 4.02Å; F231-I323 HydrophobicContact CB-CD1 4.27Å; F231-I323 HydrophobicContact CB-CG1 4.26Å; F231-I323 HydrophobicContact CD2-CD1 3.77Å; F231-I323 HydrophobicContact CD2-CG1 4.12Å; F231-I323 HydrophobicContact CE2-CD1 4.4Å; F231-I323 HydrophobicContact CG-CD1 4.12Å; F231-V324 CarbonylContact C-O 3.53Å; F231-V324 VanDerWaalsContact CA-O 3.22Å; F231-V324 WeakPolarHBondContact CA-O 3.43Å; F231-F325 HydrophobicContact CB-CD1 3.81Å; F231-F325 HydrophobicContact CB-CE1 4.31Å; F231-F325 HydrophobicContact CB-CG 4.5Å |
| 232 | H | 80.3 | Confident | 70.6 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.3 | 166.1 | -180 | -137.1 | 0 | 0 | 0 | 109.4 | T234 H245 L247 I323 V324 S331 | H232-T234 PolarHBondContact CE1-OG1 3.23Å; H232-T234 PolarHBondContact ND1-OG1 3.5Å; H232-T234 PolarHBondContact NE2-OG1 3.42Å; H232-H245 AromaticContact CE1-ND1 3.53Å; H232-H245 AromaticContact NE2-CG 3.65Å; H232-H245 AromaticContact NE2-ND1 3.14Å; H232-H245 PolarHBondContact NE2-ND1 3.03Å; H232-H245 VanDerWaalsContact NE2-ND1 3.14Å; H232-L247 HydrophobicContact CB-CD2 3.92Å; H232-L247 WeakPolarHBondContact CD2-CD2 3.34Å; H232-I323 WeakPolarHBondContact O-CA 3.32Å; H232-V324 PolarHBondContact N-O 2.95Å; H232-V324 PolarHBondContact O-N 3.29Å; H232-S331 WeakPolarHBondContact ND1-CB 3.2Å |
| 233 | F | 85.4 | Confident | 69.6 | Low | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133 | 167.8 | 168.1 | -91.9 | 0 | 0 | 0 | 109.2 | L203 F211 F231 E235 H245 I246 E322 W356 | L203-F233 HydrophobicContact CD1-CD2 3.89Å; L203-F233 HydrophobicContact CD1-CE2 3.8Å; F211-F233 HydrophobicContact CE2-CZ 4.29Å; F231-F233 HydrophobicContact CD2-CB 4.22Å; F231-F233 HydrophobicContact CE2-CB 4.06Å; F233-E235 HydrophobicContact CE1-CB 3.92Å; F233-E235 HydrophobicContact CZ-CB 3.97Å; F233-H245 CarbonylContact O-C 3.6Å; F233-H245 WeakPolarHBondContact O-CA 3.12Å; F233-I246 HydrophobicContact CB-CB 4.36Å; F233-I246 HydrophobicContact CD1-CB 4.35Å; F233-I246 HydrophobicContact CD1-CD1 4.11Å; F233-I246 HydrophobicContact CD1-CG1 4.3Å; F233-I246 PolarHBondContact N-O 2.85Å; F233-I246 PolarHBondContact O-N 3.03Å; F233-E322 WeakPolarHBondContact CA-O 3.09Å; F233-W356 AromaticContact CD2-CH2 3.45Å; F233-W356 HydrophobicContact CD2-CH2 3.45Å; F233-W356 VanDerWaalsContact CD2-CH2 3.45Å; F233-W356 HydrophobicContact CD2-CZ2 4.32Å; F233-W356 AromaticContact CD2-CZ3 3.77Å; F233-W356 HydrophobicContact CD2-CZ3 3.77Å; F233-W356 AromaticContact CE2-CH2 3.31Å; F233-W356 HydrophobicContact CE2-CH2 3.31Å; F233-W356 AromaticContact CE2-CZ2 3.76Å; F233-W356 HydrophobicContact CE2-CZ2 3.76Å; F233-W356 HydrophobicContact CE2-CZ3 4.07Å; F233-W356 HydrophobicContact CG-CH2 4.28Å; F233-W356 HydrophobicContact CZ-CH2 4.06Å; F233-W356 HydrophobicContact CZ-CZ2 4.39Å |
| 234 | T | 78.3 | Confident | 69.2 | Low | 21 Ų | 21 | 22.9 Ų | 22.9 | 13% | 0.129 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.9 | 175.3 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | H232 K244 H245 R321 E322 | H232-T234 PolarHBondContact CE1-OG1 3.23Å; H232-T234 PolarHBondContact ND1-OG1 3.5Å; H232-T234 PolarHBondContact NE2-OG1 3.42Å; T234-K244 WeakPolarHBondContact CA-O 3.17Å; T234-H245 PolarHBondContact OG1-ND1 2.94Å; T234-R321 VanDerWaalsContact O-CA 3.32Å; T234-R321 WeakPolarHBondContact O-CA 3.11Å; T234-E322 PolarHBondContact N-O 2.69Å; T234-E322 PolarHBondContact O-N 2.73Å |
| 235 | E | 76 | Confident | 69.4 | Low | 13 Ų | 13 | 23.9 Ų | 23.9 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 109.6 | 164.1 | -178.3 | 170.4 | -138.9 | 0 | 0 | 108.7 | F233 F237 S243 K244 R319 R321 | F233-E235 HydrophobicContact CE1-CB 3.92Å; F233-E235 HydrophobicContact CZ-CB 3.97Å; E235-F237 HydrophobicContact CG-CD1 4.21Å; E235-F237 HydrophobicContact CG-CE1 3.96Å; E235-S243 WeakPolarHBondContact O-CA 3.22Å; E235-K244 PolarHBondContact N-O 2.84Å; E235-K244 PolarHBondContact O-N 3.12Å; E235-R319 HydrophobicContact CG-CB 4.49Å; E235-R319 WeakPolarHBondContact OE1-CD 3.37Å; E235-R319 IonicContact OE1-CZ 3.11Å; E235-R319 IonicContact OE1-NE 2.7Å; E235-R319 IonicContact OE1-NH1 2.7Å; E235-R319 PolarHBondContact OE1-NH1 2.73Å; E235-R319 VanDerWaalsContact OE1-NH1 3.1Å; E235-R319 IonicContact OE2-NH1 2.87Å; E235-R319 PolarHBondContact OE2-NH1 3.21Å; E235-R321 HydrophobicContact CB-CG 4.26Å; E235-R321 HydrophobicContact CG-CG 3.99Å; E235-R321 IonicContact OE1-CZ 3.56Å; E235-R321 IonicContact OE1-NE 2.7Å; E235-R321 PolarHBondContact OE1-NE 2.82Å; E235-R321 IonicContact OE1-NH2 3.32Å; E235-R321 PolarHBondContact OE1-NH2 3.33Å |
| 236 | N | 70 | Confident | 69.8 | Low | 67 Ų | 67 | 23.9 Ų | 23.9 | 36% | 0.358 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.8 | 171.2 | -78 | -18.8 | 0 | 0 | 0 | 109.1 | G238 S243 R319 R320 | N236-G238 VanDerWaalsContact C-N 3.33Å; N236-G238 PolarHBondContact O-N 2.75Å; N236-S243 VanDerWaalsContact OD1-CB 3.24Å; N236-S243 WeakPolarHBondContact OD1-CB 3.12Å; N236-R319 WeakPolarHBondContact O-CA 3.37Å; N236-R320 PolarHBondContact N-O 3.28Å |
| 237 | F | 63.5 | Low | 70.1 | Confident | 24 Ų | 24 | 23.5 Ų | 23.5 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | trans | -89.1 | 5.8 | -175.5 | -62.4 | -58.8 | 0 | 0 | 0 | 114.2 | E235 V239 S242 K244 L261 | E235-F237 HydrophobicContact CG-CD1 4.21Å; E235-F237 HydrophobicContact CG-CE1 3.96Å; F237-V239 PolarHBondContact O-N 2.93Å; F237-V239 VanDerWaalsContact O-N 3.1Å; F237-S242 PolarHBondContact N-O 3.17Å; F237-S242 VanDerWaalsContact N-O 3.16Å; F237-K244 HydrophobicContact CE1-CB 4.47Å; F237-K244 HydrophobicContact CE2-CB 3.6Å; F237-K244 HydrophobicContact CZ-CB 3.42Å; F237-K244 VanDerWaalsContact CZ-CB 3.42Å; F237-K244 HydrophobicContact CZ-CD 4.38Å; F237-L261 HydrophobicContact CE2-CD2 4.15Å; F237-L261 HydrophobicContact CZ-CD2 4.25Å | ||
| 238 | G | 54 | Low | 70.9 | Confident | 63 Ų | 63 | 23.2 Ų | 23.2 | 65% | 0.649 | 14% | 0.139 | S | C | * | . | S | Bend | trans | 83.4 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N236 | N236-G238 VanDerWaalsContact C-N 3.33Å; N236-G238 PolarHBondContact O-N 2.75Å |
| 239 | V | 52.2 | Low | 71.5 | Confident | 71 Ų | 71 | 23.5 Ų | 23.5 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -71.2 | 131.2 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | F237 S242 | F237-V239 PolarHBondContact O-N 2.93Å; F237-V239 VanDerWaalsContact O-N 3.1Å; V239-S242 WeakPolarHBondContact O-CB 3.01Å; V239-S242 PolarHBondContact O-N 3.21Å; V239-S242 PolarHBondContact O-OG 2.7Å |
| 240 | I | 42.4 | Very low | 71.9 | Confident | 64 Ų | 64 | 23.5 Ų | 23.5 | 33% | 0.328 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 143.3 | -173.6 | -56.4 | 168.3 | 0 | 0 | 0 | 110.5 | S242 | I240-S242 PolarHBondContact O-N 2.93Å; I240-S242 VanDerWaalsContact O-N 3.08Å |
| 241 | N | 49 | Very low | 71.6 | Confident | 67 Ų | 67 | 24.8 Ų | 24.8 | 36% | 0.358 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -23.6 | -167.7 | -66 | 17.6 | 0 | 0 | 0 | 116.9 | S243 K2232 V2233 | N241-S243 PolarHBondContact O-N 2.96Å; N241-K2232 VanDerWaalsContact CG-O 3.26Å; N241-K2232 PolarHBondContact ND2-O 2.89Å; N241-K2232 PolarHBondContact O-NZ 2.79Å; N241-K2232 VanDerWaalsContact O-NZ 3.13Å; N241-K2232 WeakPolarHBondContact OD1-CA 3.4Å; N241-K2232 VanDerWaalsContact OD1-CB 3.27Å; N241-K2232 WeakPolarHBondContact OD1-CB 3.09Å; N241-K2232 VanDerWaalsContact OD1-CG 3.27Å; N241-K2232 WeakPolarHBondContact OD1-CG 3.28Å; N241-K2232 PolarHBondContact OD1-O 3.42Å; N241-V2233 PolarHBondContact OD1-N 3.16Å |
| 242 | S | 52.4 | Low | 71.2 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | trans | -85.6 | 113.8 | -173.2 | 74.1 | 0 | 0 | 0 | 0 | 114.7 | F237 V239 I240 | F237-S242 PolarHBondContact N-O 3.17Å; F237-S242 VanDerWaalsContact N-O 3.16Å; V239-S242 WeakPolarHBondContact O-CB 3.01Å; V239-S242 PolarHBondContact O-N 3.21Å; V239-S242 PolarHBondContact O-OG 2.7Å; I240-S242 PolarHBondContact O-N 2.93Å; I240-S242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | S | 67.1 | Low | 71 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.6 | 174.2 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | E235 N236 N241 H245 Q262 K2232 | E235-S243 WeakPolarHBondContact O-CA 3.22Å; N236-S243 VanDerWaalsContact OD1-CB 3.24Å; N236-S243 WeakPolarHBondContact OD1-CB 3.12Å; N241-S243 PolarHBondContact O-N 2.96Å; S243-H245 WeakPolarHBondContact CB-NE2 3.22Å; S243-H245 PolarHBondContact OG-NE2 3.44Å; S243-Q262 PolarHBondContact O-N 3.04Å; S243-K2232 PolarHBondContact OG-NZ 3.37Å; S243-K2232 VanDerWaalsContact OG-NZ 3.07Å |
| 244 | K | 74.5 | Confident | 70.9 | Confident | 27 Ų | 27 | 31 Ų | 31 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.6 | 168.4 | 164.4 | 166.5 | 165.3 | 158.1 | 0 | 108.6 | T234 E235 F237 E259 C260 L261 | T234-K244 WeakPolarHBondContact CA-O 3.17Å; E235-K244 PolarHBondContact N-O 2.84Å; E235-K244 PolarHBondContact O-N 3.12Å; F237-K244 HydrophobicContact CE1-CB 4.47Å; F237-K244 HydrophobicContact CE2-CB 3.6Å; F237-K244 HydrophobicContact CZ-CB 3.42Å; F237-K244 VanDerWaalsContact CZ-CB 3.42Å; F237-K244 HydrophobicContact CZ-CD 4.38Å; K244-E259 WeakPolarHBondContact CE-OE1 3.24Å; K244-E259 IonicContact NZ-OE1 3.7Å; K244-E259 PolarHBondContact NZ-OE1 2.76Å; K244-C260 WeakPolarHBondContact CA-O 3.13Å; K244-L261 HydrophobicContact CB-CD2 4.02Å; K244-L261 HydrophobicContact CD-CD2 4.1Å; K244-L261 HydrophobicContact CD-CG 4.35Å; K244-L261 HydrophobicContact CG-CD2 4.35Å |
| 245 | H | 79.9 | Confident | 71.3 | Confident | 23 Ų | 23 | 30 Ų | 30 | 11% | 0.106 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138 | 175.5 | -56.8 | -79.2 | 0 | 0 | 0 | 109.3 | H232 F233 T234 S243 C260 A335 | H232-H245 AromaticContact CE1-ND1 3.53Å; H232-H245 AromaticContact NE2-CG 3.65Å; H232-H245 AromaticContact NE2-ND1 3.14Å; H232-H245 PolarHBondContact NE2-ND1 3.03Å; H232-H245 VanDerWaalsContact NE2-ND1 3.14Å; F233-H245 CarbonylContact O-C 3.6Å; F233-H245 WeakPolarHBondContact O-CA 3.12Å; T234-H245 PolarHBondContact OG1-ND1 2.94Å; S243-H245 WeakPolarHBondContact CB-NE2 3.22Å; S243-H245 PolarHBondContact OG-NE2 3.44Å; H245-C260 HydrophobicContact CB-CB 4.26Å; H245-C260 PolarHBondContact N-O 2.88Å; H245-C260 PolarHBondContact O-N 2.61Å; H245-A335 HydrophobicContact CB-CB 4.27Å |
| 246 | I | 83 | Confident | 71.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.2 | 164.9 | -59.3 | 167.7 | 0 | 0 | 0 | 107.1 | F231 F233 L257 I258 E259 M285 I287 L292 | F231-I246 HydrophobicContact CE2-CG2 4.44Å; F233-I246 HydrophobicContact CB-CB 4.36Å; F233-I246 HydrophobicContact CD1-CB 4.35Å; F233-I246 HydrophobicContact CD1-CD1 4.11Å; F233-I246 HydrophobicContact CD1-CG1 4.3Å; F233-I246 PolarHBondContact N-O 2.85Å; F233-I246 PolarHBondContact O-N 3.03Å; I246-L257 HydrophobicContact CG2-CD1 4.39Å; I246-L257 HydrophobicContact CG2-CD2 4.16Å; I246-L257 HydrophobicContact CG2-CG 4.1Å; I246-I258 WeakPolarHBondContact CA-O 2.88Å; I246-E259 HydrophobicContact CG1-CB 4.46Å; I246-E259 HydrophobicContact CG1-CG 4.08Å; I246-M285 HydrophobicContact CD1-SD 4.27Å; I246-M285 HydrophobicContact CG2-SD 3.8Å; I246-I287 HydrophobicContact CD1-CD1 3.56Å; I246-I287 HydrophobicContact CD1-CG1 4Å; I246-L292 HydrophobicContact CD1-CD2 4.37Å |
| 247 | L | 81.8 | Confident | 72.5 | Confident | 17 Ų | 17 | 26.2 Ų | 26.2 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.6 | 175.4 | -68.9 | 156.1 | 0 | 0 | 0 | 107.7 | H232 L257 I258 | H232-L247 HydrophobicContact CB-CD2 3.92Å; H232-L247 WeakPolarHBondContact CD2-CD2 3.34Å; L247-L257 WeakPolarHBondContact O-CA 3.39Å; L247-I258 HydrophobicContact CB-CB 4.31Å; L247-I258 PolarHBondContact N-O 3.41Å; L247-I258 PolarHBondContact O-N 2.87Å |
| 248 | L | 86.9 | Confident | 73.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.8 | 162.7 | -174.9 | 77.7 | 0 | 0 | 0 | 108.3 | F219 V230 F231 L255 L257 V283 L294 | F219-L248 HydrophobicContact CE1-CD2 4.48Å; F219-L248 HydrophobicContact CZ-CD2 3.73Å; V230-L248 WeakPolarHBondContact CA-O 3.34Å; V230-L248 HydrophobicContact CB-CD2 4.2Å; V230-L248 HydrophobicContact CB-CG 4.43Å; V230-L248 VanDerWaalsContact CB-O 3.25Å; V230-L248 WeakPolarHBondContact CB-O 3.5Å; V230-L248 HydrophobicContact CG1-CD2 4.28Å; V230-L248 PolarHBondContact N-O 2.76Å; F231-L248 HydrophobicContact CD1-CB 3.65Å; F231-L248 HydrophobicContact CD1-CD2 4.01Å; F231-L248 HydrophobicContact CD1-CG 4.48Å; F231-L248 HydrophobicContact CE1-CB 3.32Å; F231-L248 HydrophobicContact CE1-CD2 3.62Å; F231-L248 HydrophobicContact CE1-CG 4.08Å; F231-L248 HydrophobicContact CG-CB 4.38Å; F231-L248 HydrophobicContact CZ-CB 3.79Å; F231-L248 PolarHBondContact N-O 2.78Å; F231-L248 PolarHBondContact O-N 2.73Å; L248-L255 HydrophobicContact CD1-CB 4.33Å; L248-L255 HydrophobicContact CD1-CD2 4.19Å; L248-L255 HydrophobicContact CD2-CD1 4.4Å; L248-L255 HydrophobicContact CD2-CD2 3.9Å; L248-L255 HydrophobicContact CG-CD2 3.95Å; L248-L257 HydrophobicContact CD1-CB 3.8Å; L248-L257 HydrophobicContact CD1-CD1 4.46Å; L248-L257 HydrophobicContact CD1-CG 4.43Å; L248-V283 HydrophobicContact CD2-CG1 3.87Å; L248-L294 HydrophobicContact CD1-CD1 4Å; L248-L294 HydrophobicContact CD1-CD2 4.24Å |
| 249 | N | 85 | Confident | 74.6 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 158.1 | 177.4 | -59.3 | -31 | 0 | 0 | 0 | 110 | A228 L255 T256 L343 | A228-N249 CarbonylContact O-C 3.54Å; A228-N249 WeakPolarHBondContact O-CA 3.48Å; A228-N249 VanDerWaalsContact O-CB 3.31Å; A228-N249 WeakPolarHBondContact O-CB 3.36Å; N249-L255 WeakPolarHBondContact O-CA 3.22Å; N249-T256 PolarHBondContact N-O 2.73Å; N249-T256 PolarHBondContact O-N 2.77Å; N249-T256 PolarHBondContact O-OG1 3.43Å; N249-L343 HydrophobicContact CB-CD1 3.91Å; N249-L343 HydrophobicContact CB-CD2 4.39Å; N249-L343 WeakPolarHBondContact ND2-CD1 3.38Å |
| 250 | I | 83.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.8 | 158.3 | -33.5 | 176.6 | 0 | 0 | 0 | 106.7 | L221 T223 S225 S227 A228 V230 V254 L255 I275 | L221-I250 HydrophobicContact CD2-CD1 4.43Å; T223-I250 HydrophobicContact CG2-CD1 3.96Å; S225-I250 VanDerWaalsContact O-CG2 3.32Å; S225-I250 WeakPolarHBondContact O-CG2 3.17Å; S227-I250 CarbonylContact C-O 3.49Å; S227-I250 WeakPolarHBondContact CA-O 3.31Å; A228-I250 HydrophobicContact CB-CB 4.23Å; A228-I250 HydrophobicContact CB-CD1 3.67Å; A228-I250 HydrophobicContact CB-CG1 3.75Å; A228-I250 PolarHBondContact N-O 3.09Å; A228-I250 PolarHBondContact O-N 2.69Å; V230-I250 HydrophobicContact CG2-CD1 4.1Å; V230-I250 HydrophobicContact CG2-CG1 3.56Å; I250-V254 CarbonylContact C-O 3.52Å; I250-V254 WeakPolarHBondContact CA-O 3.26Å; I250-V254 WeakPolarHBondContact CG2-O 3.3Å; I250-L255 HydrophobicContact CG1-CD2 3.99Å; I250-I275 HydrophobicContact CD1-CD1 3.76Å; I250-I275 HydrophobicContact CG1-CD1 3.96Å; I250-I275 HydrophobicContact CG2-CD1 4.09Å; I250-I275 HydrophobicContact CG2-CG1 3.98Å |
| 251 | N | 74.8 | Confident | 77.1 | Confident | 28 Ų | 28 | 19.6 Ų | 19.6 | 15% | 0.15 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.5 | 177.4 | -84.4 | -53.9 | 0 | 0 | 0 | 108.7 | S226 G253 V254 T256 L343 | S226-N251 CarbonylContact O-C 3.52Å; N251-G253 PolarHBondContact O-N 3.25Å; N251-G253 VanDerWaalsContact O-N 3.13Å; N251-V254 PolarHBondContact N-O 3.03Å; N251-V254 WeakPolarHBondContact O-CG2 3.41Å; N251-V254 PolarHBondContact O-N 3.04Å; N251-V254 VanDerWaalsContact O-O 3.08Å; N251-T256 HydrophobicContact CB-CG2 3.94Å; N251-T256 PolarHBondContact ND2-OG1 2.71Å; N251-L343 WeakPolarHBondContact ND2-CD1 3.3Å; N251-L343 WeakPolarHBondContact OD1-CD1 3.26Å; N251-L343 WeakPolarHBondContact OD1-CG 3.44Å |
| 252 | D | 75.8 | Confident | 77.9 | Confident | 125 Ų | 125 | 21.1 Ų | 21.1 | 67% | 0.668 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.8 | -171 | -44.6 | -53.5 | 0 | 0 | 0 | 114 | S226 V254 K270 | S226-D252 CarbonylContact O-C 3.51Å; S226-D252 WeakPolarHBondContact O-CA 3.44Å; S226-D252 PolarHBondContact O-N 2.57Å; D252-V254 VanDerWaalsContact C-N 3.29Å; D252-V254 PolarHBondContact O-N 2.92Å; D252-K270 IonicContact OD2-NZ 2.88Å; D252-K270 PolarHBondContact OD2-NZ 2.86Å |
| 253 | G | 75.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -5.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | S226 N251 P274 I275 | S226-G253 PolarHBondContact O-N 3Å; N251-G253 PolarHBondContact O-N 3.25Å; N251-G253 VanDerWaalsContact O-N 3.13Å; G253-P274 WeakPolarHBondContact O-CA 3.39Å; G253-I275 WeakPolarHBondContact O-CG1 3.34Å; G253-I275 PolarHBondContact O-N 3.02Å |
| 254 | V | 84.6 | Confident | 78.2 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 152.1 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I250 N251 D252 K270 S271 P274 | I250-V254 CarbonylContact C-O 3.52Å; I250-V254 WeakPolarHBondContact CA-O 3.26Å; I250-V254 WeakPolarHBondContact CG2-O 3.3Å; N251-V254 PolarHBondContact N-O 3.03Å; N251-V254 WeakPolarHBondContact O-CG2 3.41Å; N251-V254 PolarHBondContact O-N 3.04Å; N251-V254 VanDerWaalsContact O-O 3.08Å; D252-V254 VanDerWaalsContact C-N 3.29Å; D252-V254 PolarHBondContact O-N 2.92Å; V254-K270 HydrophobicContact CG2-CD 4.1Å; V254-K270 HydrophobicContact CG2-CG 3.75Å; V254-S271 VanDerWaalsContact CB-O 3.25Å; V254-S271 WeakPolarHBondContact CB-O 3.43Å; V254-S271 VanDerWaalsContact CG2-O 3.29Å; V254-S271 WeakPolarHBondContact CG2-O 3.36Å; V254-P274 HydrophobicContact CG1-CB 4.44Å |
| 255 | L | 86.3 | Confident | 78 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.2 | 175.9 | -75.3 | 173.6 | 0 | 0 | 0 | 112.4 | L221 V230 L248 N249 I250 S271 I275 V283 L294 V296 | L221-L255 HydrophobicContact CD2-CD2 4.33Å; V230-L255 HydrophobicContact CG2-CD2 4.11Å; L248-L255 HydrophobicContact CD1-CB 4.33Å; L248-L255 HydrophobicContact CD1-CD2 4.19Å; L248-L255 HydrophobicContact CD2-CD1 4.4Å; L248-L255 HydrophobicContact CD2-CD2 3.9Å; L248-L255 HydrophobicContact CG-CD2 3.95Å; N249-L255 WeakPolarHBondContact O-CA 3.22Å; I250-L255 HydrophobicContact CG1-CD2 3.99Å; L255-S271 VanDerWaalsContact O-CB 3.29Å; L255-S271 WeakPolarHBondContact O-CB 3.43Å; L255-S271 PolarHBondContact O-N 2.82Å; L255-I275 HydrophobicContact CD1-CD1 3.98Å; L255-I275 HydrophobicContact CD1-CG2 4.34Å; L255-I275 HydrophobicContact CD2-CD1 3.53Å; L255-I275 HydrophobicContact CG-CD1 3.5Å; L255-I275 VanDerWaalsContact CG-CD1 3.5Å; L255-I275 HydrophobicContact CG-CG1 4.12Å; L255-I275 HydrophobicContact CG-CG2 4.4Å; L255-V283 HydrophobicContact CD1-CB 4.5Å; L255-V283 HydrophobicContact CD1-CG1 3.93Å; L255-V283 HydrophobicContact CD1-CG2 3.71Å; L255-L294 HydrophobicContact CB-CD2 4.35Å; L255-V296 HydrophobicContact CB-CG2 4.31Å; L255-V296 HydrophobicContact CD1-CG1 4.01Å; L255-V296 HydrophobicContact CD1-CG2 3.71Å |
| 256 | T | 84.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.6 | 169.3 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | N249 N251 L269 K270 | N249-T256 PolarHBondContact N-O 2.73Å; N249-T256 PolarHBondContact O-N 2.77Å; N249-T256 PolarHBondContact O-OG1 3.43Å; N251-T256 HydrophobicContact CB-CG2 3.94Å; N251-T256 PolarHBondContact ND2-OG1 2.71Å; T256-L269 CarbonylContact C-O 3.39Å; T256-L269 WeakPolarHBondContact CA-O 3.48Å; T256-K270 HydrophobicContact CG2-CB 3.92Å; T256-K270 HydrophobicContact CG2-CD 3.87Å; T256-K270 HydrophobicContact CG2-CG 3.67Å |
| 257 | L | 85.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.3 | 172.2 | -175.9 | 157 | 0 | 0 | 0 | 109.3 | I246 L247 L248 Y268 L269 M285 L292 L294 | I246-L257 HydrophobicContact CG2-CD1 4.39Å; I246-L257 HydrophobicContact CG2-CD2 4.16Å; I246-L257 HydrophobicContact CG2-CG 4.1Å; L247-L257 WeakPolarHBondContact O-CA 3.39Å; L248-L257 HydrophobicContact CD1-CB 3.8Å; L248-L257 HydrophobicContact CD1-CD1 4.46Å; L248-L257 HydrophobicContact CD1-CG 4.43Å; L257-Y268 WeakPolarHBondContact O-CA 3.17Å; L257-L269 HydrophobicContact CB-CB 4.37Å; L257-L269 PolarHBondContact N-O 2.84Å; L257-L269 PolarHBondContact O-N 2.91Å; L257-M285 HydrophobicContact CD1-CB 4.48Å; L257-M285 HydrophobicContact CD1-CG 3.88Å; L257-M285 HydrophobicContact CD1-SD 3.69Å; L257-L292 HydrophobicContact CD1-CD2 4.45Å; L257-L292 HydrophobicContact CD2-CD1 3.92Å; L257-L292 HydrophobicContact CD2-CD2 4.27Å; L257-L294 HydrophobicContact CB-CD2 4.05Å; L257-L294 HydrophobicContact CD1-CB 4.39Å; L257-L294 HydrophobicContact CD1-CD1 4.28Å |
| 258 | I | 80.8 | Confident | 77.3 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.7 | -178.4 | -53.5 | -179.5 | 0 | 0 | 0 | 107.9 | I246 L247 L265 A267 Y268 | I246-I258 WeakPolarHBondContact CA-O 2.88Å; L247-I258 HydrophobicContact CB-CB 4.31Å; L247-I258 PolarHBondContact N-O 3.41Å; L247-I258 PolarHBondContact O-N 2.87Å; I258-L265 HydrophobicContact CG2-CD1 3.49Å; I258-L265 VanDerWaalsContact CG2-CD1 3.49Å; I258-A267 WeakPolarHBondContact CA-O 3.42Å; I258-Y268 HydrophobicContact CD1-CD2 4.47Å; I258-Y268 HydrophobicContact CD1-CE2 4.39Å; I258-Y268 HydrophobicContact CG1-CD2 4.02Å; I258-Y268 HydrophobicContact CG1-CE2 4.28Å |
| 259 | E | 82 | Confident | 77.2 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.4 | 169.4 | -172.5 | -172.5 | -126.1 | 0 | 0 | 109.9 | K244 I246 S266 A267 L292 | K244-E259 WeakPolarHBondContact CE-OE1 3.24Å; K244-E259 IonicContact NZ-OE1 3.7Å; K244-E259 PolarHBondContact NZ-OE1 2.76Å; I246-E259 HydrophobicContact CG1-CB 4.46Å; I246-E259 HydrophobicContact CG1-CG 4.08Å; E259-S266 WeakPolarHBondContact CB-OG 3.44Å; E259-S266 VanDerWaalsContact CD-OG 3.26Å; E259-S266 VanDerWaalsContact CG-OG 3.23Å; E259-S266 WeakPolarHBondContact CG-OG 3.18Å; E259-S266 PolarHBondContact O-N 2.93Å; E259-S266 PolarHBondContact O-OG 3.16Å; E259-S266 WeakPolarHBondContact OE2-CB 3.36Å; E259-S266 PolarHBondContact OE2-OG 2.77Å; E259-A267 HydrophobicContact CB-CB 3.88Å; E259-A267 PolarHBondContact N-O 3.19Å; E259-A267 PolarHBondContact O-N 2.78Å; E259-L292 HydrophobicContact CB-CD1 3.58Å; E259-L292 VanDerWaalsContact CD-CD1 3.47Å; E259-L292 HydrophobicContact CG-CD1 3.94Å |
| 260 | C | 73.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.5 | 172 | -46.1 | 0 | 0 | 0 | 0 | 109.8 | K244 H245 R264 A335 C336 | K244-C260 WeakPolarHBondContact CA-O 3.13Å; H245-C260 HydrophobicContact CB-CB 4.26Å; H245-C260 PolarHBondContact N-O 2.88Å; H245-C260 PolarHBondContact O-N 2.61Å; C260-R264 CarbonylContact C-O 3.02Å; C260-R264 VanDerWaalsContact CA-O 3.25Å; C260-R264 WeakPolarHBondContact CA-O 3.35Å; C260-A335 WeakPolarHBondContact CB-O 3.31Å; C260-A335 PolarHBondContact SG-O 2.83Å; C260-C336 HydrophobicContact CB-CB 4.2Å; C260-C336 WeakPolarHBondContact CB-SG 3.05Å; C260-C336 WeakPolarHBondContact SG-CB 3.05Å; C260-C336 CovalentContact SG-SG 2.03Å; C260-C336 PolarHBondContact SG-SG 3.22Å |
| 261 | L | 72.4 | Confident | 77.3 | Confident | 58 Ų | 58 | 42.4 Ų | 42.4 | 30% | 0.304 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.9 | 172.9 | -94.3 | 159.1 | 0 | 0 | 0 | 108.9 | F237 K244 G263 R264 | F237-L261 HydrophobicContact CE2-CD2 4.15Å; F237-L261 HydrophobicContact CZ-CD2 4.25Å; K244-L261 HydrophobicContact CB-CD2 4.02Å; K244-L261 HydrophobicContact CD-CD2 4.1Å; K244-L261 HydrophobicContact CD-CG 4.35Å; K244-L261 HydrophobicContact CG-CD2 4.35Å; L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3.19Å; L261-R264 PolarHBondContact N-O 3.4Å; L261-R264 PolarHBondContact O-N 2.79Å |
| 262 | Q | 66 | Low | 77.6 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 42.8 | 179.5 | -55.2 | -173.3 | -34.5 | 0 | 0 | 113.7 | S243 R264 | S243-Q262 PolarHBondContact O-N 3.04Å; Q262-R264 VanDerWaalsContact C-N 3.26Å; Q262-R264 PolarHBondContact O-N 2.94Å |
| 263 | G | 61.6 | Low | 77.6 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -9.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L261 A335 C336 S337 | L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3.19Å; G263-A335 WeakPolarHBondContact CA-O 3.12Å; G263-C336 WeakPolarHBondContact O-CA 3.12Å; G263-S337 PolarHBondContact O-N 3.01Å; G263-S337 VanDerWaalsContact O-N 3.11Å |
| 264 | R | 63.8 | Low | 77.7 | Confident | 204 Ų | 204 | 48.2 Ų | 48.2 | 77% | 0.77 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.3 | 175.6 | -65.6 | -177.1 | 176.5 | -176.6 | -0 | 111.2 | C260 L261 Q262 S266 | C260-R264 CarbonylContact C-O 3.02Å; C260-R264 VanDerWaalsContact CA-O 3.25Å; C260-R264 WeakPolarHBondContact CA-O 3.35Å; L261-R264 PolarHBondContact N-O 3.4Å; L261-R264 PolarHBondContact O-N 2.79Å; Q262-R264 VanDerWaalsContact C-N 3.26Å; Q262-R264 PolarHBondContact O-N 2.94Å; R264-S266 PolarHBondContact O-N 2.68Å |
| 265 | L | 71 | Confident | 77.7 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 117 | 165.7 | -179.7 | 66.6 | 0 | 0 | 0 | 109.5 | I258 A267 C336 | I258-L265 HydrophobicContact CG2-CD1 3.49Å; I258-L265 VanDerWaalsContact CG2-CD1 3.49Å; L265-A267 WeakPolarHBondContact CD1-O 3.22Å; L265-C336 VanDerWaalsContact CA-SG 3.59Å |
| 266 | S | 73.7 | Confident | 77.3 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -42 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 112 | E259 R264 W303 | E259-S266 WeakPolarHBondContact CB-OG 3.44Å; E259-S266 VanDerWaalsContact CD-OG 3.26Å; E259-S266 VanDerWaalsContact CG-OG 3.23Å; E259-S266 WeakPolarHBondContact CG-OG 3.18Å; E259-S266 PolarHBondContact O-N 2.93Å; E259-S266 PolarHBondContact O-OG 3.16Å; E259-S266 WeakPolarHBondContact OE2-CB 3.36Å; E259-S266 PolarHBondContact OE2-OG 2.77Å; R264-S266 PolarHBondContact O-N 2.68Å; S266-W303 WeakPolarHBondContact O-CZ2 3.49Å |
| 267 | A | 73.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I258 E259 L265 L292 W303 | I258-A267 WeakPolarHBondContact CA-O 3.42Å; E259-A267 HydrophobicContact CB-CB 3.88Å; E259-A267 PolarHBondContact N-O 3.19Å; E259-A267 PolarHBondContact O-N 2.78Å; L265-A267 WeakPolarHBondContact CD1-O 3.22Å; A267-L292 HydrophobicContact CB-CD1 3.96Å; A267-W303 HydrophobicContact CB-CB 4.36Å; A267-W303 HydrophobicContact CB-CD2 3.51Å; A267-W303 HydrophobicContact CB-CE3 3.66Å; A267-W303 HydrophobicContact CB-CG 3.81Å; A267-W303 HydrophobicContact CB-CZ2 4.41Å; A267-W303 HydrophobicContact CB-CZ3 4.17Å |
| 268 | Y | 83.1 | Confident | 76.4 | Confident | 97 Ų | 97 | 51.1 Ų | 51.1 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.6 | 170.2 | -177.5 | -82.9 | 0 | 0 | 0 | 108.8 | L257 I258 K270 | L257-Y268 WeakPolarHBondContact O-CA 3.17Å; I258-Y268 HydrophobicContact CD1-CD2 4.47Å; I258-Y268 HydrophobicContact CD1-CE2 4.39Å; I258-Y268 HydrophobicContact CG1-CD2 4.02Å; I258-Y268 HydrophobicContact CG1-CE2 4.28Å; Y268-K270 HydrophobicContact CE1-CB 3.88Å |
| 269 | L | 84.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.9 | 176.4 | -66.6 | 178.6 | 0 | 0 | 0 | 109.2 | T256 L257 L294 L301 W303 | T256-L269 CarbonylContact C-O 3.39Å; T256-L269 WeakPolarHBondContact CA-O 3.48Å; L257-L269 HydrophobicContact CB-CB 4.37Å; L257-L269 PolarHBondContact N-O 2.84Å; L257-L269 PolarHBondContact O-N 2.91Å; L269-L294 HydrophobicContact CD1-CB 4.06Å; L269-L301 HydrophobicContact CB-CB 4.49Å; L269-L301 HydrophobicContact CB-CD1 4.27Å; L269-L301 HydrophobicContact CD1-CB 4.22Å; L269-L301 HydrophobicContact CD2-CB 4.16Å; L269-W303 HydrophobicContact CD1-CB 4.44Å; L269-W303 HydrophobicContact CD2-CB 3.86Å; L269-W303 HydrophobicContact CG-CB 4.27Å |
| 270 | K | 85.4 | Confident | 76.7 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.6 | 175.6 | -176.2 | 164.7 | -172.9 | 173.1 | 0 | 110.9 | D252 V254 T256 Y268 L301 | D252-K270 IonicContact OD2-NZ 2.88Å; D252-K270 PolarHBondContact OD2-NZ 2.86Å; V254-K270 HydrophobicContact CG2-CD 4.1Å; V254-K270 HydrophobicContact CG2-CG 3.75Å; T256-K270 HydrophobicContact CG2-CB 3.92Å; T256-K270 HydrophobicContact CG2-CD 3.87Å; T256-K270 HydrophobicContact CG2-CG 3.67Å; Y268-K270 HydrophobicContact CE1-CB 3.88Å; K270-L301 VanDerWaalsContact C-CD1 3.42Å; K270-L301 VanDerWaalsContact O-CD1 3.31Å; K270-L301 WeakPolarHBondContact O-CD1 3.48Å |
| 271 | S | 85.1 | Confident | 77.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 148.5 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | V254 L255 A273 E299 | V254-S271 VanDerWaalsContact CB-O 3.25Å; V254-S271 WeakPolarHBondContact CB-O 3.43Å; V254-S271 VanDerWaalsContact CG2-O 3.29Å; V254-S271 WeakPolarHBondContact CG2-O 3.36Å; L255-S271 VanDerWaalsContact O-CB 3.29Å; L255-S271 WeakPolarHBondContact O-CB 3.43Å; L255-S271 PolarHBondContact O-N 2.82Å; S271-A273 PolarHBondContact OG-N 3.5Å; S271-A273 PolarHBondContact OG-O 3.48Å; S271-E299 PolarHBondContact OG-OE2 2.85Å |
| 272 | K | 80.2 | Confident | 78.1 | Confident | 173 Ų | 173 | 61.2 Ų | 61.2 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -28.6 | 165 | -59.5 | 169.3 | -169.7 | 164.9 | 0 | 110.7 | P274 E299 | K272-P274 VanDerWaalsContact O-CD 3.29Å; K272-P274 WeakPolarHBondContact O-CD 3.24Å; K272-E299 WeakPolarHBondContact CA-OE2 3.42Å; K272-E299 WeakPolarHBondContact CB-OE1 3.35Å; K272-E299 WeakPolarHBondContact CB-OE2 3.35Å; K272-E299 WeakPolarHBondContact CD-OE1 3.45Å; K272-E299 VanDerWaalsContact CG-OE1 3.29Å; K272-E299 WeakPolarHBondContact CG-OE1 3.21Å; K272-E299 PolarHBondContact N-OE1 3.15Å; K272-E299 PolarHBondContact N-OE2 3.3Å |
| 273 | A | 76 | Confident | 79.2 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 118 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S271 V296 E299 | S271-A273 PolarHBondContact OG-N 3.5Å; S271-A273 PolarHBondContact OG-O 3.48Å; A273-V296 HydrophobicContact CB-CG1 4.36Å; A273-E299 PolarHBondContact N-OE2 3.44Å |
| 274 | P | 78.9 | Confident | 80.4 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.6 | 168.9 | 30.9 | -32.3 | 0 | 0 | 0 | 109.2 | G253 V254 K272 N276 | G253-P274 WeakPolarHBondContact O-CA 3.39Å; V254-P274 HydrophobicContact CG1-CB 4.44Å; K272-P274 VanDerWaalsContact O-CD 3.29Å; K272-P274 WeakPolarHBondContact O-CD 3.24Å; P274-N276 WeakPolarHBondContact CB-OD1 3Å |
| 275 | I | 83.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -107.9 | -2 | 178.2 | 61.7 | 152.8 | 0 | 0 | 0 | 112.6 | L221 T223 I250 G253 L255 D277 H281 V296 | L221-I275 HydrophobicContact CD2-CD1 3.41Å; L221-I275 VanDerWaalsContact CD2-CD1 3.41Å; L221-I275 HydrophobicContact CG-CD1 4.32Å; T223-I275 HydrophobicContact CG2-CD1 3.89Å; T223-I275 HydrophobicContact CG2-CG1 4.19Å; T223-I275 WeakPolarHBondContact CG2-O 3.45Å; I250-I275 HydrophobicContact CD1-CD1 3.76Å; I250-I275 HydrophobicContact CG1-CD1 3.96Å; I250-I275 HydrophobicContact CG2-CD1 4.09Å; I250-I275 HydrophobicContact CG2-CG1 3.98Å; G253-I275 WeakPolarHBondContact O-CG1 3.34Å; G253-I275 PolarHBondContact O-N 3.02Å; L255-I275 HydrophobicContact CD1-CD1 3.98Å; L255-I275 HydrophobicContact CD1-CG2 4.34Å; L255-I275 HydrophobicContact CD2-CD1 3.53Å; L255-I275 HydrophobicContact CG-CD1 3.5Å; L255-I275 VanDerWaalsContact CG-CD1 3.5Å; L255-I275 HydrophobicContact CG-CG1 4.12Å; L255-I275 HydrophobicContact CG-CG2 4.4Å; I275-D277 PolarHBondContact O-N 3.39Å; I275-H281 HydrophobicContact CB-CB 4.31Å; I275-H281 HydrophobicContact CG2-CB 4.03Å; I275-H281 PolarHBondContact O-CD2 3.12Å; I275-V296 HydrophobicContact CG2-CG1 3.51Å | ||
| 276 | N | 78.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 25.9 | -174.8 | 74.3 | -56.2 | 0 | 0 | 0 | 113.3 | T223 S224 S225 P274 | T223-N276 CarbonylContact O-C 3.59Å; S224-N276 CarbonylContact C-O 3.55Å; S224-N276 WeakPolarHBondContact CA-O 3.27Å; S224-N276 WeakPolarHBondContact O-CB 3.36Å; S225-N276 WeakPolarHBondContact O-CB 3.41Å; P274-N276 WeakPolarHBondContact CB-OD1 3Å |
| 277 | D | 79.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.9 | -174.7 | 61.5 | 5.2 | 0 | 0 | 0 | 113.9 | I275 L279 H281 R382 | I275-D277 PolarHBondContact O-N 3.39Å; D277-L279 VanDerWaalsContact OD1-CB 3.3Å; D277-L279 WeakPolarHBondContact OD1-CB 3.42Å; D277-L279 PolarHBondContact OD1-N 3.08Å; D277-H281 VanDerWaalsContact CG-NE2 3.26Å; D277-H281 IonicContact OD1-CD2 2.7Å; D277-H281 IonicContact OD1-CE1 2.68Å; D277-H281 IonicContact OD1-NE2 2.74Å; D277-H281 PolarHBondContact OD1-NE2 2.92Å; D277-H281 IonicContact OD2-CE1 2.83Å; D277-H281 PolarHBondContact OD2-CE1 3.44Å; D277-H281 IonicContact OD2-NE2 3.12Å; D277-H281 PolarHBondContact OD2-NE2 3.37Å; D277-H281 VanDerWaalsContact OD2-NE2 3.13Å; D277-R382 PolarHBondContact O-NE 2.62Å; D277-R382 PolarHBondContact O-NH2 2.78Å |
| 278 | G | 73.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 92.7 | -0.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | R222 T223 L380 | R222-G278 WeakPolarHBondContact CG-O 3.41Å; R222-G278 PolarHBondContact NE-O 2.99Å; R222-G278 PolarHBondContact NH2-O 3.27Å; T223-G278 VanDerWaalsContact O-CA 3.29Å; T223-G278 WeakPolarHBondContact O-CA 3.28Å; T223-G278 PolarHBondContact O-N 3.48Å; G278-L380 VanDerWaalsContact O-O 3.1Å |
| 279 | L | 83.8 | Confident | 81.1 | Confident | 101 Ų | 101 | 43.2 Ų | 43.2 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -93.9 | 168 | 179.4 | -54.6 | -178.6 | 0 | 0 | 0 | 111.8 | R222 D277 H281 | R222-L279 WeakPolarHBondContact CA-O 3.44Å; D277-L279 VanDerWaalsContact OD1-CB 3.3Å; D277-L279 WeakPolarHBondContact OD1-CB 3.42Å; D277-L279 PolarHBondContact OD1-N 3.08Å; L279-H281 PolarHBondContact O-CD2 2.9Å |
| 280 | W | 85 | Confident | 80.2 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115.3 | 173.6 | -79.1 | 112.4 | 0 | 0 | 0 | 110.5 | A190 K220 R222 C350 Q352 C376 | A190-W280 HydrophobicContact CB-CH2 4.06Å; A190-W280 HydrophobicContact CB-CZ2 4.26Å; K220-W280 HydrophobicContact CB-CD2 4.45Å; K220-W280 HydrophobicContact CB-CE3 3.55Å; K220-W280 HydrophobicContact CB-CZ3 3.76Å; R222-W280 HydrophobicContact CB-CD2 3.61Å; R222-W280 HydrophobicContact CB-CE3 3.52Å; R222-W280 HydrophobicContact CB-CG 4.21Å; R222-W280 HydrophobicContact CB-CH2 4.12Å; R222-W280 HydrophobicContact CB-CZ2 4.18Å; R222-W280 HydrophobicContact CB-CZ3 3.78Å; R222-W280 HydrophobicContact CG-CD2 4.24Å; R222-W280 HydrophobicContact CG-CG 4.38Å; W280-C350 HydrophobicContact CH2-CB 3.37Å; W280-C350 HydrophobicContact CZ2-CB 4.06Å; W280-C350 HydrophobicContact CZ3-CB 3.86Å; W280-Q352 HydrophobicContact CH2-CB 3.64Å; W280-Q352 HydrophobicContact CZ2-CB 4.44Å; W280-Q352 VanDerWaalsContact CZ2-OE1 3.3Å; W280-Q352 HydrophobicContact CZ3-CB 4Å; W280-C376 VanDerWaalsContact CZ2-SG 3.54Å |
| 281 | H | 86.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.8 | 172 | -67.8 | -86.5 | 0 | 0 | 0 | 110.5 | L221 I275 D277 L279 V283 | L221-H281 PolarHBondContact N-O 3Å; L221-H281 PolarHBondContact O-N 2.96Å; I275-H281 HydrophobicContact CB-CB 4.31Å; I275-H281 HydrophobicContact CG2-CB 4.03Å; I275-H281 PolarHBondContact O-CD2 3.12Å; D277-H281 VanDerWaalsContact CG-NE2 3.26Å; D277-H281 IonicContact OD1-CD2 2.7Å; D277-H281 IonicContact OD1-CE1 2.68Å; D277-H281 IonicContact OD1-NE2 2.74Å; D277-H281 PolarHBondContact OD1-NE2 2.92Å; D277-H281 IonicContact OD2-CE1 2.83Å; D277-H281 PolarHBondContact OD2-CE1 3.44Å; D277-H281 IonicContact OD2-NE2 3.12Å; D277-H281 PolarHBondContact OD2-NE2 3.37Å; D277-H281 VanDerWaalsContact OD2-NE2 3.13Å; L279-H281 PolarHBondContact O-CD2 2.9Å; H281-V283 PolarHBondContact O-N 3.19Å |
| 282 | S | 88 | Confident | 79 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 51% | 0.51 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.1 | 169.9 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | G297 | S282-G297 PolarHBondContact O-N 2.92Å |
| 283 | V | 89 | Confident | 79.2 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.1 | 177.8 | -173 | 0 | 0 | 0 | 0 | 109 | K218 F219 L221 L248 L255 H281 L294 | K218-V283 WeakPolarHBondContact CA-O 3.39Å; F219-V283 HydrophobicContact CD2-CB 4.35Å; F219-V283 HydrophobicContact CE1-CB 4.15Å; F219-V283 HydrophobicContact CE1-CG1 4.03Å; F219-V283 HydrophobicContact CE2-CB 3.86Å; F219-V283 HydrophobicContact CE2-CG1 4.27Å; F219-V283 HydrophobicContact CE2-CG2 4.02Å; F219-V283 HydrophobicContact CZ-CB 3.74Å; F219-V283 HydrophobicContact CZ-CG1 3.66Å; F219-V283 HydrophobicContact CZ-CG2 4.26Å; F219-V283 PolarHBondContact N-O 3.08Å; F219-V283 VanDerWaalsContact N-O 3.13Å; F219-V283 PolarHBondContact O-N 2.75Å; L221-V283 HydrophobicContact CB-CG2 4.04Å; L221-V283 HydrophobicContact CD2-CG2 4.25Å; L248-V283 HydrophobicContact CD2-CG1 3.87Å; L255-V283 HydrophobicContact CD1-CB 4.5Å; L255-V283 HydrophobicContact CD1-CG1 3.93Å; L255-V283 HydrophobicContact CD1-CG2 3.71Å; H281-V283 PolarHBondContact O-N 3.19Å; V283-L294 HydrophobicContact CG1-CD1 4.22Å |
| 284 | S | 87.7 | Confident | 79.7 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 118.6 | 178 | 162.4 | 0 | 0 | 0 | 0 | 109.6 | F217 T295 | F217-S284 WeakPolarHBondContact O-CA 3.47Å; S284-T295 VanDerWaalsContact CB-OG1 3.31Å; S284-T295 WeakPolarHBondContact CB-OG1 3.4Å; S284-T295 PolarHBondContact N-O 3.36Å; S284-T295 PolarHBondContact O-N 3.43Å; S284-T295 PolarHBondContact O-OG1 3.1Å; S284-T295 PolarHBondContact OG-OG1 2.78Å |
| 285 | M | 87 | Confident | 80 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.6 | 168.5 | 175.3 | -178 | 60.5 | 0 | 0 | 108.7 | P216 F217 F231 I246 L257 I287 L292 W293 | P216-M285 CarbonylContact C-O 3.58Å; P216-M285 WeakPolarHBondContact CA-O 3.32Å; F217-M285 HydrophobicContact CB-CE 3.84Å; F217-M285 HydrophobicContact CD1-CE 3.97Å; F217-M285 HydrophobicContact CG-CE 4.3Å; F217-M285 PolarHBondContact N-O 2.91Å; F217-M285 PolarHBondContact O-N 2.61Å; F231-M285 HydrophobicContact CE2-CE 4.03Å; F231-M285 HydrophobicContact CZ-CE 3.67Å; F231-M285 HydrophobicContact CZ-SD 4.02Å; I246-M285 HydrophobicContact CD1-SD 4.27Å; I246-M285 HydrophobicContact CG2-SD 3.8Å; L257-M285 HydrophobicContact CD1-CB 4.48Å; L257-M285 HydrophobicContact CD1-CG 3.88Å; L257-M285 HydrophobicContact CD1-SD 3.69Å; M285-I287 HydrophobicContact CE-CD1 3.72Å; M285-I287 HydrophobicContact CE-CG1 3.85Å; M285-I287 HydrophobicContact CG-CG1 4.17Å; M285-I287 HydrophobicContact SD-CD1 4.3Å; M285-I287 HydrophobicContact SD-CG1 3.93Å; M285-L292 HydrophobicContact CG-CD2 4.14Å; M285-L292 HydrophobicContact SD-CD2 4.07Å; M285-W293 CarbonylContact C-O 3.37Å; M285-W293 WeakPolarHBondContact CA-O 3.31Å |
| 286 | V | 83.9 | Confident | 80.1 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.1 | 168.7 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | V214 T288 W293 | V214-V286 HydrophobicContact CG1-CG1 3.3Å; V286-T288 HydrophobicContact CG1-CG2 4.23Å; V286-W293 HydrophobicContact CB-CB 4.09Å; V286-W293 PolarHBondContact N-O 3.34Å; V286-W293 PolarHBondContact O-N 3.48Å |
| 287 | I | 75.4 | Confident | 80.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126 | 172.9 | -50.3 | 172.6 | 0 | 0 | 0 | 107.3 | F211 V214 T215 I246 M285 L292 W356 | F211-I287 HydrophobicContact CZ-CD1 4.28Å; V214-I287 WeakPolarHBondContact CA-O 3.22Å; T215-I287 PolarHBondContact N-O 3.03Å; T215-I287 PolarHBondContact O-N 2.87Å; T215-I287 VanDerWaalsContact O-N 3.11Å; I246-I287 HydrophobicContact CD1-CD1 3.56Å; I246-I287 HydrophobicContact CD1-CG1 4Å; M285-I287 HydrophobicContact CE-CD1 3.72Å; M285-I287 HydrophobicContact CE-CG1 3.85Å; M285-I287 HydrophobicContact CG-CG1 4.17Å; M285-I287 HydrophobicContact SD-CD1 4.3Å; M285-I287 HydrophobicContact SD-CG1 3.93Å; I287-L292 HydrophobicContact CG1-CD2 4.05Å; I287-W356 HydrophobicContact CD1-CH2 4.31Å |
| 288 | T | 70.9 | Confident | 80.1 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 173.4 | 172.6 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | H213 V214 V286 S290 G291 | H213-T288 WeakPolarHBondContact O-CA 3.33Å; V214-T288 HydrophobicContact CG1-CG2 4.36Å; V214-T288 HydrophobicContact CG2-CG2 4.15Å; V286-T288 HydrophobicContact CG1-CG2 4.23Å; T288-S290 PolarHBondContact O-N 2.84Å; T288-S290 PolarHBondContact OG1-N 2.93Å; T288-G291 PolarHBondContact N-O 3.19Å; T288-G291 PolarHBondContact OG1-N 3.29Å; T288-G291 PolarHBondContact OG1-O 3.4Å |
| 289 | A | 62.7 | Low | 80.3 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 49% | 0.488 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66 | -19.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | H213 | H213-A289 PolarHBondContact O-N 2.99Š|
| 290 | S | 63.8 | Low | 80.1 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -132.2 | 4.5 | -172.1 | 55 | 0 | 0 | 0 | 0 | 114.4 | T288 S305 | T288-S290 PolarHBondContact O-N 2.84Å; T288-S290 PolarHBondContact OG1-N 2.93Å; S290-S305 PolarHBondContact O-N 2.93Å |
| 291 | G | 66.6 | Low | 80 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T288 W303 | T288-G291 PolarHBondContact N-O 3.19Å; T288-G291 PolarHBondContact OG1-N 3.29Å; T288-G291 PolarHBondContact OG1-O 3.4Å; G291-W303 CarbonylContact C-O 3.27Å; G291-W303 WeakPolarHBondContact CA-O 3.5Å |
| 292 | L | 79.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.3 | -177.9 | -91.6 | 157.8 | 0 | 0 | 0 | 110 | I246 L257 E259 A267 M285 I287 Q302 W303 | I246-L292 HydrophobicContact CD1-CD2 4.37Å; L257-L292 HydrophobicContact CD1-CD2 4.45Å; L257-L292 HydrophobicContact CD2-CD1 3.92Å; L257-L292 HydrophobicContact CD2-CD2 4.27Å; E259-L292 HydrophobicContact CB-CD1 3.58Å; E259-L292 VanDerWaalsContact CD-CD1 3.47Å; E259-L292 HydrophobicContact CG-CD1 3.94Å; A267-L292 HydrophobicContact CB-CD1 3.96Å; M285-L292 HydrophobicContact CG-CD2 4.14Å; M285-L292 HydrophobicContact SD-CD2 4.07Å; I287-L292 HydrophobicContact CG1-CD2 4.05Å; L292-Q302 WeakPolarHBondContact O-CA 3.39Å; L292-W303 PolarHBondContact N-O 2.94Å; L292-W303 PolarHBondContact O-N 2.94Å |
| 293 | W | 83.6 | Confident | 79.1 | Confident | 108 Ų | 108 | 48 Ų | 48 | 41% | 0.409 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.3 | 173.8 | -57.1 | 54.9 | 0 | 0 | 0 | 109.1 | M285 V286 L301 Q302 | M285-W293 CarbonylContact C-O 3.37Å; M285-W293 WeakPolarHBondContact CA-O 3.31Å; V286-W293 HydrophobicContact CB-CB 4.09Å; V286-W293 PolarHBondContact N-O 3.34Å; V286-W293 PolarHBondContact O-N 3.48Å; W293-L301 CarbonylContact C-O 3.55Å; W293-L301 VanDerWaalsContact CA-O 3.28Å; W293-L301 WeakPolarHBondContact CA-O 3.27Å; W293-Q302 HydrophobicContact CD2-CB 4.41Å; W293-Q302 HydrophobicContact CD2-CG 4.15Å; W293-Q302 HydrophobicContact CG-CG 4.49Å; W293-Q302 HydrophobicContact CZ2-CG 4.18Å |
| 294 | L | 87.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.8 | 172.3 | 177.8 | 66.8 | 0 | 0 | 0 | 108.6 | L248 L255 L257 L269 V283 V296 L301 | L248-L294 HydrophobicContact CD1-CD1 4Å; L248-L294 HydrophobicContact CD1-CD2 4.24Å; L255-L294 HydrophobicContact CB-CD2 4.35Å; L257-L294 HydrophobicContact CB-CD2 4.05Å; L257-L294 HydrophobicContact CD1-CB 4.39Å; L257-L294 HydrophobicContact CD1-CD1 4.28Å; L269-L294 HydrophobicContact CD1-CB 4.06Å; V283-L294 HydrophobicContact CG1-CD1 4.22Å; L294-V296 HydrophobicContact CD1-CG2 4.29Å; L294-V296 HydrophobicContact CD2-CG2 4.19Å; L294-V296 HydrophobicContact CG-CG2 3.94Å; L294-L301 HydrophobicContact CB-CB 4.49Å; L294-L301 PolarHBondContact N-O 3.04Å; L294-L301 PolarHBondContact O-N 2.81Å |
| 295 | T | 86.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.6 | 171.3 | 22.7 | 0 | 0 | 0 | 0 | 111 | S284 E299 A300 | S284-T295 VanDerWaalsContact CB-OG1 3.31Å; S284-T295 WeakPolarHBondContact CB-OG1 3.4Å; S284-T295 PolarHBondContact N-O 3.36Å; S284-T295 PolarHBondContact O-N 3.43Å; S284-T295 PolarHBondContact O-OG1 3.1Å; S284-T295 PolarHBondContact OG-OG1 2.78Å; T295-E299 CarbonylContact C-O 3.49Å; T295-E299 VanDerWaalsContact CA-O 3.31Å; T295-E299 WeakPolarHBondContact CA-O 3.44Å; T295-A300 HydrophobicContact CG2-CB 3.6Å |
| 296 | V | 85.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 99.7 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | L255 A273 I275 L294 K298 E299 | L255-V296 HydrophobicContact CB-CG2 4.31Å; L255-V296 HydrophobicContact CD1-CG1 4.01Å; L255-V296 HydrophobicContact CD1-CG2 3.71Å; A273-V296 HydrophobicContact CB-CG1 4.36Å; I275-V296 HydrophobicContact CG2-CG1 3.51Å; L294-V296 HydrophobicContact CD1-CG2 4.29Å; L294-V296 HydrophobicContact CD2-CG2 4.19Å; L294-V296 HydrophobicContact CG-CG2 3.94Å; V296-K298 PolarHBondContact O-N 2.64Å; V296-E299 PolarHBondContact N-O 3.19Å; V296-E299 PolarHBondContact O-N 2.78Å |
| 297 | G | 79.1 | Confident | 73.7 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -97.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S282 | S282-G297 PolarHBondContact O-N 2.92Š|
| 298 | K | 77.1 | Confident | 71.9 | Confident | 219 Ų | 219 | 68.5 Ų | 68.5 | 95% | 0.952 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -10.3 | 176.3 | -69.5 | -175 | 179.3 | 178.9 | 0 | 114.3 | V296 | V296-K298 PolarHBondContact O-N 2.64Š|
| 299 | E | 77.8 | Confident | 70.6 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 137.6 | 176.9 | -173.5 | 167.3 | -158.4 | 0 | 0 | 110.2 | S271 K272 A273 T295 V296 L301 | S271-E299 PolarHBondContact OG-OE2 2.85Å; K272-E299 WeakPolarHBondContact CA-OE2 3.42Å; K272-E299 WeakPolarHBondContact CB-OE1 3.35Å; K272-E299 WeakPolarHBondContact CB-OE2 3.35Å; K272-E299 WeakPolarHBondContact CD-OE1 3.45Å; K272-E299 VanDerWaalsContact CG-OE1 3.29Å; K272-E299 WeakPolarHBondContact CG-OE1 3.21Å; K272-E299 PolarHBondContact N-OE1 3.15Å; K272-E299 PolarHBondContact N-OE2 3.3Å; A273-E299 PolarHBondContact N-OE2 3.44Å; T295-E299 CarbonylContact C-O 3.49Å; T295-E299 VanDerWaalsContact CA-O 3.31Å; T295-E299 WeakPolarHBondContact CA-O 3.44Å; V296-E299 PolarHBondContact N-O 3.19Å; V296-E299 PolarHBondContact O-N 2.78Å; E299-L301 HydrophobicContact CG-CG 4.5Å |
| 300 | A | 79.6 | Confident | 69.6 | Low | 66 Ų | 66 | 74.7 Ų | 74.7 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T295 | T295-A300 HydrophobicContact CG2-CB 3.6Å |
| 301 | L | 82.3 | Confident | 68.5 | Low | 33 Ų | 33 | 77.9 Ų | 77.9 | 17% | 0.173 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.1 | 176.7 | -62.8 | 174.6 | 0 | 0 | 0 | 109.4 | L269 K270 W293 L294 E299 | L269-L301 HydrophobicContact CB-CB 4.49Å; L269-L301 HydrophobicContact CB-CD1 4.27Å; L269-L301 HydrophobicContact CD1-CB 4.22Å; L269-L301 HydrophobicContact CD2-CB 4.16Å; K270-L301 VanDerWaalsContact C-CD1 3.42Å; K270-L301 VanDerWaalsContact O-CD1 3.31Å; K270-L301 WeakPolarHBondContact O-CD1 3.48Å; W293-L301 CarbonylContact C-O 3.55Å; W293-L301 VanDerWaalsContact CA-O 3.28Å; W293-L301 WeakPolarHBondContact CA-O 3.27Å; L294-L301 HydrophobicContact CB-CB 4.49Å; L294-L301 PolarHBondContact N-O 3.04Å; L294-L301 PolarHBondContact O-N 2.81Å; E299-L301 HydrophobicContact CG-CG 4.5Å |
| 302 | Q | 80.6 | Confident | 67.2 | Low | 115 Ų | 115 | 83 Ų | 83 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.1 | -179.5 | -178.3 | -176.8 | -9.7 | 0 | 0 | 109.5 | L292 W293 | L292-Q302 WeakPolarHBondContact O-CA 3.39Å; W293-Q302 HydrophobicContact CD2-CB 4.41Å; W293-Q302 HydrophobicContact CD2-CG 4.15Å; W293-Q302 HydrophobicContact CG-CG 4.49Å; W293-Q302 HydrophobicContact CZ2-CG 4.18Å |
| 303 | W | 76.5 | Confident | 65.1 | Low | 72 Ų | 72 | 93.7 Ų | 93.7 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.3 | 163.9 | 176 | 91.3 | 0 | 0 | 0 | 109.2 | S266 A267 L269 G291 L292 | S266-W303 WeakPolarHBondContact O-CZ2 3.49Å; A267-W303 HydrophobicContact CB-CB 4.36Å; A267-W303 HydrophobicContact CB-CD2 3.51Å; A267-W303 HydrophobicContact CB-CE3 3.66Å; A267-W303 HydrophobicContact CB-CG 3.81Å; A267-W303 HydrophobicContact CB-CZ2 4.41Å; A267-W303 HydrophobicContact CB-CZ3 4.17Å; L269-W303 HydrophobicContact CD1-CB 4.44Å; L269-W303 HydrophobicContact CD2-CB 3.86Å; L269-W303 HydrophobicContact CG-CB 4.27Å; G291-W303 CarbonylContact C-O 3.27Å; G291-W303 WeakPolarHBondContact CA-O 3.5Å; L292-W303 PolarHBondContact N-O 2.94Å; L292-W303 PolarHBondContact O-N 2.94Å |
| 304 | S | 69.1 | Low | 62.8 | Low | 68 Ų | 68 | 95.8 Ų | 95.8 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.3 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 305 | S | 58.2 | Low | 60.4 | Low | 43 Ų | 43 | 99 Ų | 99 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | trans | -71.7 | 133.5 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | S290 E307 | S290-S305 PolarHBondContact O-N 2.93Å; S305-E307 WeakPolarHBondContact OG-CA 3.38Å; S305-E307 PolarHBondContact OG-N 2.88Å; S305-E307 PolarHBondContact OG-O 3.25Å | ||
| 306 | N | 55.2 | Low | 58 | Low | 167 Ų | 167 | 102.6 Ų | 102.6 | 89% | 0.893 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -83.7 | -13 | 163.3 | -78.3 | -13.6 | 0 | 0 | 0 | 112.2 | ||
| 307 | E | 50.5 | Low | 56.2 | Low | 168 Ų | 168 | 108.5 Ų | 108.5 | 79% | 0.785 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -80.3 | 120.2 | 171 | -62.4 | -169.5 | 172.3 | 0 | 0 | 109.6 | S305 | S305-E307 WeakPolarHBondContact OG-CA 3.38Å; S305-E307 PolarHBondContact OG-N 2.88Å; S305-E307 PolarHBondContact OG-O 3.25Å |
| 308 | G | 39 | Very low | 54.8 | Low | 53 Ų | 53 | 114 Ų | 114 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | trans | -73.2 | 178 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S310 | G308-S310 VanDerWaalsContact C-N 3.31Å; G308-S310 PolarHBondContact O-N 2.58Å | ||
| 309 | P | 43.9 | Very low | 54 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 78% | 0.779 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -79 | 65 | -162.8 | 33 | -38.3 | 0 | 0 | 0 | 114.5 | ||
| 310 | S | 40.2 | Very low | 53.5 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | trans | -83.7 | -32.6 | 174.5 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | G308 Q312 | G308-S310 VanDerWaalsContact C-N 3.31Å; G308-S310 PolarHBondContact O-N 2.58Å; S310-Q312 VanDerWaalsContact C-N 3.3Å; S310-Q312 PolarHBondContact O-N 3.01Å | ||
| 311 | F | 40.8 | Very low | 53.3 | Low | 147 Ų | 147 | 109.6 Ų | 109.6 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -83.9 | 15 | -167.1 | -132.6 | -90.5 | 0 | 0 | 0 | 116.1 | ||
| 312 | Q | 40 | Very low | 53 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -123.9 | 24.3 | -158.5 | -145.9 | 176.4 | 39 | 0 | 0 | 116.5 | S310 | S310-Q312 VanDerWaalsContact C-N 3.3Å; S310-Q312 PolarHBondContact O-N 3.01Å |
| 313 | R | 35.9 | Very low | 53.1 | Low | 224 Ų | 224 | 103.4 Ų | 103.4 | 85% | 0.845 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -114.3 | -41.8 | -173.8 | -74.6 | -169.2 | 172 | -171.9 | -2.3 | 119.4 | ||
| 314 | N | 34.9 | Very low | 53.4 | Low | 153 Ų | 153 | 100.3 Ų | 100.3 | 82% | 0.818 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -119.9 | 18 | -156.4 | -81.1 | 23.2 | 0 | 0 | 0 | 118.8 | ||
| 315 | V | 35.4 | Very low | 54 | Low | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | trans | -128.6 | 100.6 | 177.3 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | R319 | V315-R319 PolarHBondContact O-NH2 3.13Š| ||
| 316 | T | 36.6 | Very low | 54.7 | Low | 125 Ų | 125 | 95.1 Ų | 95.1 | 77% | 0.767 | 48% | 0.483 | S | S | * | . | trans | -129.8 | 36.8 | -165.5 | 47.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 317 | Q | 46.7 | Very low | 55.1 | Low | 128 Ų | 128 | 88 Ų | 88 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -151.8 | 155.8 | 163.6 | -107.5 | 158.3 | 79.2 | 0 | 0 | 111.4 | R319 | Q317-R319 PolarHBondContact O-N 2.98Š|
| 318 | H | 50 | Low | 55.3 | Low | 172 Ų | 172 | 80.5 Ų | 80.5 | 80% | 0.796 | 41% | 0.411 | S | S | * | . | trans | 53.6 | 35.6 | 167.3 | -67.6 | 84.6 | 0 | 0 | 0 | 119.4 | R320 | H318-R320 PolarHBondContact O-N 2.95Š| ||
| 319 | R | 60.8 | Low | 55.8 | Low | 87 Ų | 87 | 86.1 Ų | 86.1 | 33% | 0.328 | 42% | 0.416 | S | S | . | . | trans | -71.6 | 107.1 | 164.8 | -61.6 | -168.5 | -168.2 | -169.8 | -0.7 | 111.6 | E235 N236 V315 Q317 | E235-R319 HydrophobicContact CG-CB 4.49Å; E235-R319 WeakPolarHBondContact OE1-CD 3.37Å; E235-R319 IonicContact OE1-CZ 3.11Å; E235-R319 IonicContact OE1-NE 2.7Å; E235-R319 IonicContact OE1-NH1 2.7Å; E235-R319 PolarHBondContact OE1-NH1 2.73Å; E235-R319 VanDerWaalsContact OE1-NH1 3.1Å; E235-R319 IonicContact OE2-NH1 2.87Å; E235-R319 PolarHBondContact OE2-NH1 3.21Å; N236-R319 WeakPolarHBondContact O-CA 3.37Å; V315-R319 PolarHBondContact O-NH2 3.13Å; Q317-R319 PolarHBondContact O-N 2.98Å | ||
| 320 | R | 67.2 | Low | 56.1 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 39% | 0.389 | 41% | 0.406 | S | S | . | . | trans | -75 | 125.7 | 168.9 | -171.3 | 169.9 | 172.7 | -176.8 | -6 | 108.6 | N236 H318 E322 L2224 | N236-R320 PolarHBondContact N-O 3.28Å; H318-R320 PolarHBondContact O-N 2.95Å; R320-E322 HydrophobicContact CG-CG 4.45Å; R320-E322 IonicContact CZ-OE1 2.87Å; R320-E322 IonicContact NE-OE1 3.94Å; R320-E322 PolarHBondContact NE-OE1 3.14Å; R320-E322 IonicContact NH2-OE1 3.1Å; R320-E322 PolarHBondContact NH2-OE1 3.49Å; R320-L2224 VanDerWaalsContact NH1-CD1 3.29Å | ||
| 321 | R | 74.6 | Confident | 56.3 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 15% | 0.151 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.7 | -178.8 | -67.7 | -178.3 | -172.4 | 137.3 | -0.6 | 109.2 | L203 S204 T234 E235 | L203-R321 WeakPolarHBondContact CA-O 3.12Å; L203-R321 HydrophobicContact CB-CB 3.89Å; L203-R321 WeakPolarHBondContact CB-O 3.22Å; L203-R321 PolarHBondContact N-O 2.84Å; S204-R321 PolarHBondContact N-O 2.71Å; T234-R321 VanDerWaalsContact O-CA 3.32Å; T234-R321 WeakPolarHBondContact O-CA 3.11Å; E235-R321 HydrophobicContact CB-CG 4.26Å; E235-R321 HydrophobicContact CG-CG 3.99Å; E235-R321 IonicContact OE1-CZ 3.56Å; E235-R321 IonicContact OE1-NE 2.7Å; E235-R321 PolarHBondContact OE1-NE 2.82Å; E235-R321 IonicContact OE1-NH2 3.32Å; E235-R321 PolarHBondContact OE1-NH2 3.33Å |
| 322 | E | 77.2 | Confident | 56.3 | Low | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.9 | 179.6 | -61.4 | -169 | 176.9 | 0 | 0 | 110.5 | R200 F201 F233 T234 R320 | R200-E322 IonicContact CZ-OE2 3.79Å; R200-E322 IonicContact NE-OE2 3.76Å; R200-E322 PolarHBondContact NE-OE2 2.86Å; R200-E322 IonicContact NH2-OE2 2.82Å; R200-E322 PolarHBondContact NH2-OE2 2.65Å; F201-E322 WeakPolarHBondContact O-CA 3.07Å; F233-E322 WeakPolarHBondContact CA-O 3.09Å; T234-E322 PolarHBondContact N-O 2.69Å; T234-E322 PolarHBondContact O-N 2.73Å; R320-E322 HydrophobicContact CG-CG 4.45Å; R320-E322 IonicContact CZ-OE1 2.87Å; R320-E322 IonicContact NE-OE1 3.94Å; R320-E322 PolarHBondContact NE-OE1 3.14Å; R320-E322 IonicContact NH2-OE1 3.1Å; R320-E322 PolarHBondContact NH2-OE1 3.49Å |
| 323 | I | 82.8 | Confident | 56.4 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.7 | 166.9 | -170.8 | 167.4 | 0 | 0 | 0 | 109 | F201 L203 F217 F231 H232 W356 L361 | F201-I323 HydrophobicContact CB-CG2 3.87Å; F201-I323 HydrophobicContact CD2-CG2 4.3Å; F201-I323 PolarHBondContact N-O 3.3Å; F201-I323 PolarHBondContact O-N 2.76Å; L203-I323 HydrophobicContact CD1-CB 3.98Å; L203-I323 HydrophobicContact CD1-CG2 3.84Å; L203-I323 HydrophobicContact CD2-CG2 3.89Å; L203-I323 HydrophobicContact CG-CG2 3.94Å; F217-I323 HydrophobicContact CD1-CD1 4.39Å; F217-I323 HydrophobicContact CE1-CD1 3.61Å; F217-I323 HydrophobicContact CE2-CD1 3.81Å; F217-I323 HydrophobicContact CZ-CD1 3.27Å; F231-I323 HydrophobicContact CB-CD1 4.27Å; F231-I323 HydrophobicContact CB-CG1 4.26Å; F231-I323 HydrophobicContact CD2-CD1 3.77Å; F231-I323 HydrophobicContact CD2-CG1 4.12Å; F231-I323 HydrophobicContact CE2-CD1 4.4Å; F231-I323 HydrophobicContact CG-CD1 4.12Å; H232-I323 WeakPolarHBondContact O-CA 3.32Å; I323-W356 HydrophobicContact CD1-CZ3 4.35Å; I323-L361 HydrophobicContact CG2-CD1 4.17Å |
| 324 | V | 81.4 | Confident | 56.9 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.8 | 172.5 | -172 | 0 | 0 | 0 | 0 | 107.7 | N198 I199 R200 F231 H232 | N198-V324 HydrophobicContact CB-CG1 3.61Å; I199-V324 WeakPolarHBondContact O-CA 3.16Å; R200-V324 HydrophobicContact CB-CG2 4.33Å; R200-V324 HydrophobicContact CG-CG2 4.01Å; F231-V324 CarbonylContact C-O 3.53Å; F231-V324 VanDerWaalsContact CA-O 3.22Å; F231-V324 WeakPolarHBondContact CA-O 3.43Å; H232-V324 PolarHBondContact N-O 2.95Å; H232-V324 PolarHBondContact O-N 3.29Å |
| 325 | F | 82.2 | Confident | 57.7 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 145 | 163.8 | -62.3 | -83.2 | 0 | 0 | 0 | 109.3 | I193 N198 I199 F201 F217 V230 F231 I351 A354 L361 | I193-F325 HydrophobicContact CD1-CB 3.32Å; I193-F325 HydrophobicContact CD1-CG 4.21Å; N198-F325 WeakPolarHBondContact CA-O 3.33Å; N198-F325 WeakPolarHBondContact CB-O 3.21Å; I199-F325 HydrophobicContact CB-CB 4.4Å; I199-F325 HydrophobicContact CB-CD2 4.37Å; I199-F325 PolarHBondContact N-O 2.83Å; I199-F325 VanDerWaalsContact N-O 3.1Å; I199-F325 PolarHBondContact O-N 2.82Å; F201-F325 HydrophobicContact CD2-CD2 4.24Å; F201-F325 HydrophobicContact CD2-CE2 4.1Å; F201-F325 HydrophobicContact CE2-CD2 4.06Å; F201-F325 AromaticContact CE2-CE2 3.85Å; F201-F325 HydrophobicContact CE2-CE2 3.85Å; F217-F325 HydrophobicContact CE1-CE1 4.34Å; F217-F325 HydrophobicContact CE2-CZ 4.23Å; F217-F325 AromaticContact CZ-CE1 3.69Å; F217-F325 HydrophobicContact CZ-CE1 3.69Å; F217-F325 AromaticContact CZ-CZ 3.58Å; F217-F325 HydrophobicContact CZ-CZ 3.58Å; V230-F325 WeakPolarHBondContact O-CA 3.27Å; F231-F325 HydrophobicContact CB-CD1 3.81Å; F231-F325 HydrophobicContact CB-CE1 4.31Å; F231-F325 HydrophobicContact CB-CG 4.5Å; F325-I351 HydrophobicContact CB-CD1 4.04Å; F325-I351 HydrophobicContact CD1-CD1 3.26Å; F325-I351 HydrophobicContact CD1-CG2 4.34Å; F325-I351 HydrophobicContact CE1-CD1 3.79Å; F325-I351 HydrophobicContact CE1-CG2 3.94Å; F325-I351 HydrophobicContact CG-CD1 3.9Å; F325-I351 HydrophobicContact CZ-CG2 4.19Å; F325-A354 HydrophobicContact CE2-CB 4.44Å; F325-A354 HydrophobicContact CZ-CB 3.95Å; F325-L361 HydrophobicContact CE2-CD1 4.01Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å |
| 326 | G | 72.6 | Confident | 58.7 | Low | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77 | -151.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G197 S229 V230 | G197-G326 WeakPolarHBondContact O-CA 3.46Å; S229-G326 PolarHBondContact OG-O 3.42Å; V230-G326 PolarHBondContact O-N 3.02Å |
| 327 | T | 63.8 | Low | 59.1 | Low | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | trans | -92.2 | 118.2 | -177.7 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | M196 G197 N198 S346 | M196-T327 VanDerWaalsContact C-OG1 3.22Å; M196-T327 WeakPolarHBondContact CA-OG1 3.02Å; M196-T327 PolarHBondContact O-OG1 3.12Å; G197-T327 PolarHBondContact O-N 2.7Å; N198-T327 WeakPolarHBondContact CB-O 3.08Å; N198-T327 PolarHBondContact ND2-O 3.13Å; T327-S346 VanDerWaalsContact CG2-CB 3.44Å; T327-S346 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 328 | S | 54.4 | Low | 58.8 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | trans | -87.9 | 131.9 | 162.7 | -171.3 | 0 | 0 | 0 | 0 | 110 | E330 S331 | S328-E330 PolarHBondContact O-N 3.09Å; S328-E330 PolarHBondContact OG-N 3.02Å; S328-E330 VanDerWaalsContact OG-N 3.12Å; S328-S331 WeakPolarHBondContact CB-OG 3.18Å; S328-S331 PolarHBondContact N-OG 3.43Å; S328-S331 PolarHBondContact O-N 2.82Å; S328-S331 VanDerWaalsContact O-N 3.1Å; S328-S331 PolarHBondContact O-OG 3.23Å; S328-S331 VanDerWaalsContact O-OG 3.06Å | ||
| 329 | R | 50.4 | Low | 58.3 | Low | 172 Ų | 172 | 60.8 Ų | 60.8 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -14.6 | 164.4 | -68.6 | -169 | -177.4 | -160.5 | 0.7 | 112.8 | E1953 | R329-E1953 IonicContact CZ-OE2 2.87Å; R329-E1953 IonicContact NE-OE2 3.74Å; R329-E1953 PolarHBondContact NE-OE2 3.18Å; R329-E1953 IonicContact NH2-OE2 2.82Å; R329-E1953 PolarHBondContact NH2-OE2 2.99Å |
| 330 | E | 50.3 | Low | 56.9 | Low | 121 Ų | 121 | 58.4 Ų | 58.4 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.7 | 178.8 | -62.8 | 165.4 | -140 | 0 | 0 | 113.9 | R200 S328 | R200-E330 IonicContact CZ-OE1 3.2Å; R200-E330 IonicContact CZ-OE2 3.37Å; R200-E330 IonicContact NH1-OE1 3.11Å; R200-E330 PolarHBondContact NH1-OE1 2.88Å; R200-E330 IonicContact NH1-OE2 2.69Å; R200-E330 PolarHBondContact NH1-OE2 3.38Å; R200-E330 IonicContact NH2-OE1 2.8Å; R200-E330 IonicContact NH2-OE2 3.96Å; R200-E330 PolarHBondContact NH2-OE2 3.1Å; S328-E330 PolarHBondContact O-N 3.09Å; S328-E330 PolarHBondContact OG-N 3.02Å; S328-E330 VanDerWaalsContact OG-N 3.12Å |
| 331 | S | 44.1 | Very low | 55.6 | Low | 7 Ų | 7 | 57.1 Ų | 57.1 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -15.6 | -175.4 | 60.5 | 0 | 0 | 0 | 0 | 116 | H232 S328 | H232-S331 WeakPolarHBondContact ND1-CB 3.2Å; S328-S331 WeakPolarHBondContact CB-OG 3.18Å; S328-S331 PolarHBondContact N-OG 3.43Å; S328-S331 PolarHBondContact O-N 2.82Å; S328-S331 VanDerWaalsContact O-N 3.1Å; S328-S331 PolarHBondContact O-OG 3.23Å; S328-S331 VanDerWaalsContact O-OG 3.06Å |
| 332 | H | 40.7 | Very low | 53.7 | Low | 70 Ų | 70 | 56.6 Ų | 56.6 | 32% | 0.324 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -117.7 | 97.3 | -172.1 | -63.5 | -85.5 | 0 | 0 | 0 | 112.2 | ||
| 333 | T | 42.9 | Very low | 52.1 | Low | 71 Ų | 71 | 56.2 Ų | 56.2 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -178.5 | -35.9 | 149 | 23.2 | 0 | 0 | 0 | 0 | 112.9 | Y2229 | T333-Y2229 PolarHBondContact OG1-OH 3.17Š|
| 334 | L | 46.4 | Very low | 50.1 | Low | 124 Ų | 124 | 57.7 Ų | 57.7 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -127.3 | 7.8 | -166.6 | -84.9 | 124.8 | 0 | 0 | 0 | 117.2 | ||
| 335 | A | 51.4 | Low | 48.4 | Very low | 16 Ų | 16 | 57.8 Ų | 57.8 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -69.6 | -37.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | H245 C260 G263 | H245-A335 HydrophobicContact CB-CB 4.27Å; C260-A335 WeakPolarHBondContact CB-O 3.31Å; C260-A335 PolarHBondContact SG-O 2.83Å; G263-A335 WeakPolarHBondContact CA-O 3.12Å |
| 336 | C | 57.2 | Low | 46.7 | Very low | 31 Ų | 31 | 58.1 Ų | 58.1 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -139.7 | 93 | -179.7 | -97.3 | 0 | 0 | 0 | 0 | 109.8 | C260 G263 L265 K338 | C260-C336 HydrophobicContact CB-CB 4.2Å; C260-C336 WeakPolarHBondContact CB-SG 3.05Å; C260-C336 WeakPolarHBondContact SG-CB 3.05Å; C260-C336 CovalentContact SG-SG 2.03Å; C260-C336 PolarHBondContact SG-SG 3.22Å; G263-C336 WeakPolarHBondContact O-CA 3.12Å; L265-C336 VanDerWaalsContact CA-SG 3.59Å; C336-K338 VanDerWaalsContact C-N 3.3Å; C336-K338 PolarHBondContact O-N 3.46Å |
| 337 | S | 44.2 | Very low | 45.9 | Very low | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 40.5 | -161.8 | 73.2 | 0 | 0 | 0 | 0 | 116.9 | G263 D2062 | G263-S337 PolarHBondContact O-N 3.01Å; G263-S337 VanDerWaalsContact O-N 3.11Å; S337-D2062 WeakPolarHBondContact CB-OD2 3.33Å; S337-D2062 PolarHBondContact OG-OD2 2.74Å |
| 338 | K | 40.7 | Very low | 46.4 | Very low | 205 Ų | 205 | 57.2 Ų | 57.2 | 89% | 0.891 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.9 | -14.3 | 176.7 | -83.9 | -157.1 | 173.7 | -172.8 | 0 | 118.4 | C336 | C336-K338 VanDerWaalsContact C-N 3.3Å; C336-K338 PolarHBondContact O-N 3.46Å |
| 339 | E | 40.2 | Very low | 47.7 | Very low | 118 Ų | 118 | 56.8 Ų | 56.8 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | trans | -113 | 122.5 | 170.7 | -69.7 | -164.4 | 147.7 | 0 | 0 | 108.7 | P341 | E339-P341 WeakPolarHBondContact O-CD 3.37Å; E339-P341 WeakPolarHBondContact O-CG 3.47Å | ||
| 340 | N | 31.2 | Very low | 49.3 | Very low | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | trans | -81.8 | 90.3 | -178.5 | -163.7 | -27.8 | 0 | 0 | 0 | 107.8 | T342 T1944 D2063 | N340-T342 PolarHBondContact O-N 3.07Å; N340-T1944 VanDerWaalsContact OD1-CB 3.23Å; N340-T1944 WeakPolarHBondContact OD1-CB 3.17Å; N340-T1944 PolarHBondContact OD1-O 3.26Å; N340-T1944 VanDerWaalsContact OD1-O 3.05Å; N340-D2063 WeakPolarHBondContact CB-OD1 3.28Å; N340-D2063 PolarHBondContact ND2-OD1 3.05Å; N340-D2063 PolarHBondContact ND2-OD2 3.26Å | ||
| 341 | P | 39.3 | Very low | 51 | Low | 77 Ų | 77 | 42.9 Ų | 42.9 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | trans | -96.2 | 92.7 | -157.9 | 27.6 | -10.3 | 0 | 0 | 0 | 106.6 | E339 L343 | E339-P341 WeakPolarHBondContact O-CD 3.37Å; E339-P341 WeakPolarHBondContact O-CG 3.47Å; P341-L343 VanDerWaalsContact C-N 3.28Å; P341-L343 WeakPolarHBondContact O-CB 2.83Å; P341-L343 PolarHBondContact O-N 3.4Å | ||
| 342 | T | 35.2 | Very low | 53 | Low | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | trans | -71.1 | 83.8 | -170 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | N340 T1944 R1946 Q1947 | N340-T342 PolarHBondContact O-N 3.07Å; T342-T1944 WeakPolarHBondContact CG2-O 3.46Å; T342-R1946 HydrophobicContact CG2-CB 4.15Å; T342-R1946 HydrophobicContact CG2-CG 3.74Å; T342-Q1947 VanDerWaalsContact O-CD 3.29Å; T342-Q1947 WeakPolarHBondContact O-CG 3.32Å; T342-Q1947 PolarHBondContact O-NE2 3.11Å | ||
| 343 | L | 43.4 | Very low | 55 | Low | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | -150.7 | 14.8 | -151.1 | -135.6 | 177.4 | 0 | 0 | 0 | 112.9 | N249 N251 P341 R345 D1945 | N249-L343 HydrophobicContact CB-CD1 3.91Å; N249-L343 HydrophobicContact CB-CD2 4.39Å; N249-L343 WeakPolarHBondContact ND2-CD1 3.38Å; N251-L343 WeakPolarHBondContact ND2-CD1 3.3Å; N251-L343 WeakPolarHBondContact OD1-CD1 3.26Å; N251-L343 WeakPolarHBondContact OD1-CG 3.44Å; P341-L343 VanDerWaalsContact C-N 3.28Å; P341-L343 WeakPolarHBondContact O-CB 2.83Å; P341-L343 PolarHBondContact O-N 3.4Å; L343-R345 PolarHBondContact O-N 3.17Å; L343-D1945 PolarHBondContact N-OD1 3.3Å | ||
| 344 | T | 41.4 | Very low | 56.9 | Low | 31 Ų | 31 | 41.1 Ų | 41.1 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | trans | -64.4 | 18.9 | 159.9 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | S346 D1945 Q1947 V1948 V1949 | T344-S346 PolarHBondContact O-N 2.96Å; T344-D1945 PolarHBondContact N-OD1 2.88Å; T344-D1945 WeakPolarHBondContact OG1-CB 3.07Å; T344-D1945 VanDerWaalsContact OG1-CG 3.31Å; T344-D1945 PolarHBondContact OG1-OD1 3.07Å; T344-Q1947 CarbonylContact C-O 3.45Å; T344-Q1947 VanDerWaalsContact CA-O 3.3Å; T344-Q1947 WeakPolarHBondContact CA-O 3.24Å; T344-Q1947 WeakPolarHBondContact CB-O 2.87Å; T344-Q1947 PolarHBondContact N-O 2.96Å; T344-Q1947 PolarHBondContact OG1-O 3.44Å; T344-V1948 CarbonylContact O-C 3.53Å; T344-V1948 WeakPolarHBondContact O-CA 3.13Å; T344-V1949 WeakPolarHBondContact O-CB 3.19Å; T344-V1949 WeakPolarHBondContact O-CG2 3.44Å; T344-V1949 PolarHBondContact O-N 3.03Å | ||
| 345 | R | 44 | Very low | 58.7 | Low | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | -89.1 | 73.3 | 163.7 | -101.8 | 179.9 | 176.9 | -158.1 | -9.4 | 112.6 | S227 A228 L343 Q1947 V1949 Q1980 V2001 Y2002 K2003 | S227-R345 CarbonylContact C-O 3.54Å; S227-R345 WeakPolarHBondContact CB-O 3.3Å; A228-R345 VanDerWaalsContact CA-O 3.31Å; A228-R345 WeakPolarHBondContact CA-O 3.05Å; A228-R345 PolarHBondContact N-O 2.88Å; L343-R345 PolarHBondContact O-N 3.17Å; R345-Q1947 HydrophobicContact CB-CB 4.08Å; R345-Q1947 HydrophobicContact CB-CG 3.75Å; R345-Q1947 VanDerWaalsContact CD-CB 3.48Å; R345-Q1947 VanDerWaalsContact CD-OE1 3.29Å; R345-Q1947 HydrophobicContact CG-CB 3.62Å; R345-Q1947 HydrophobicContact CG-CG 3.9Å; R345-Q1947 PolarHBondContact N-O 3.25Å; R345-V1949 HydrophobicContact CB-CG2 4.12Å; R345-V1949 HydrophobicContact CG-CG2 3.85Å; R345-Q1980 VanDerWaalsContact CZ-OE1 3.3Å; R345-V2001 HydrophobicContact CB-CG2 4.38Å; R345-V2001 VanDerWaalsContact CD-CG1 3.46Å; R345-V2001 HydrophobicContact CG-CB 4.19Å; R345-V2001 HydrophobicContact CG-CG1 3.92Å; R345-V2001 HydrophobicContact CG-CG2 4.01Å; R345-V2001 PolarHBondContact NH2-O 3.12Å; R345-Y2002 WeakPolarHBondContact CG-O 3.45Å; R345-Y2002 VanDerWaalsContact NE-C 3.35Å; R345-Y2002 PolarHBondContact NE-O 3.3Å; R345-K2003 VanDerWaalsContact CZ-CB 3.41Å; R345-K2003 VanDerWaalsContact NH2-CB 3.25Å | ||
| 346 | S | 47.5 | Very low | 60.1 | Low | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | trans | -77.4 | 151.8 | 169.6 | 33.1 | 0 | 0 | 0 | 0 | 113.6 | P195 T327 T344 V1949 | P195-S346 WeakPolarHBondContact O-CB 3.41Å; P195-S346 PolarHBondContact O-OG 3.04Å; T327-S346 VanDerWaalsContact CG2-CB 3.44Å; T327-S346 WeakPolarHBondContact CG2-OG 3.47Å; T344-S346 PolarHBondContact O-N 2.96Å; S346-V1949 VanDerWaalsContact O-CG1 3.24Å; S346-V1949 WeakPolarHBondContact O-CG1 3.44Å; S346-V1949 WeakPolarHBondContact O-CG2 3.41Å; S346-V1949 VanDerWaalsContact OG-CG1 3.22Å; S346-V1949 WeakPolarHBondContact OG-CG1 3.42Å | ||
| 347 | S | 56.4 | Low | 61 | Low | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | trans | -158.1 | 175.8 | -157.9 | -64.2 | 0 | 0 | 0 | 0 | 115.4 | S225 S227 M349 S1982 G1998 V2001 | S225-S347 WeakPolarHBondContact OG-CB 3.46Å; S227-S347 WeakPolarHBondContact O-CB 3.35Å; S227-S347 PolarHBondContact O-OG 3.31Å; S347-M349 WeakPolarHBondContact O-CE 3.37Å; S347-M349 PolarHBondContact O-N 3.42Å; S347-M349 VanDerWaalsContact O-N 3.17Å; S347-S1982 WeakPolarHBondContact OG-CB 3.38Å; S347-G1998 VanDerWaalsContact C-C 3.45Å; S347-G1998 CarbonylContact C-O 3.54Å; S347-G1998 WeakPolarHBondContact CA-O 3.34Å; S347-V2001 WeakPolarHBondContact OG-CG2 3.19Å | ||
| 348 | L | 73.1 | Confident | 62.3 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -60.7 | 122.7 | -172.4 | -170.4 | 125.9 | 0 | 0 | 0 | 112.2 | R222 T223 S225 P377 L380 D1994 N1997 G1998 H1999 | R222-L348 WeakPolarHBondContact O-CD2 2.98Å; T223-L348 WeakPolarHBondContact CA-O 3.34Å; T223-L348 WeakPolarHBondContact CB-O 3.04Å; T223-L348 PolarHBondContact OG1-O 2.97Å; S225-L348 PolarHBondContact OG-N 2.81Å; S225-L348 PolarHBondContact OG-O 2.64Å; L348-P377 HydrophobicContact CD1-CG 3.96Å; L348-L380 HydrophobicContact CD2-CD1 3.14Å; L348-L380 HydrophobicContact CD2-CD2 3.67Å; L348-L380 HydrophobicContact CD2-CG 3.59Å; L348-D1994 HydrophobicContact CD1-CB 3.46Å; L348-D1994 VanDerWaalsContact CD1-CB 3.46Å; L348-D1994 VanDerWaalsContact CD1-OD1 3.23Å; L348-D1994 WeakPolarHBondContact CD1-OD1 3.42Å; L348-N1997 VanDerWaalsContact CD1-C 3.47Å; L348-N1997 HydrophobicContact CD1-CB 3.44Å; L348-N1997 VanDerWaalsContact CD1-CB 3.44Å; L348-N1997 VanDerWaalsContact CD1-O 3.28Å; L348-N1997 WeakPolarHBondContact CD1-O 3.31Å; L348-N1997 HydrophobicContact CG-CB 4.44Å; L348-N1997 WeakPolarHBondContact CG-O 3.3Å; L348-G1998 VanDerWaalsContact CA-CA 3.41Å; L348-G1998 PolarHBondContact N-O 2.78Å; L348-H1999 HydrophobicContact CB-CB 3.9Å; L348-H1999 WeakPolarHBondContact CB-CD2 3.24Å; L348-H1999 HydrophobicContact CD1-CB 4.39Å | ||
| 349 | M | 81.5 | Confident | 63.8 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 111.6 | 162.5 | 53 | -157.2 | 78.7 | 0 | 0 | 107.9 | V192 I193 L221 R222 A228 S229 V230 S347 I351 N1997 | V192-M349 WeakPolarHBondContact CA-O 3.41Å; I193-M349 HydrophobicContact CB-CG 3.75Å; I193-M349 HydrophobicContact CD1-CG 4.14Å; I193-M349 HydrophobicContact CD1-SD 4.47Å; I193-M349 HydrophobicContact CG1-CG 4.11Å; I193-M349 PolarHBondContact N-O 2.84Å; I193-M349 VanDerWaalsContact N-O 3.13Å; L221-M349 HydrophobicContact CD1-CB 3.33Å; R222-M349 WeakPolarHBondContact O-CA 3.29Å; A228-M349 HydrophobicContact CB-CE 3.74Å; S229-M349 WeakPolarHBondContact O-CE 3.44Å; V230-M349 HydrophobicContact CB-SD 4.48Å; V230-M349 HydrophobicContact CG1-SD 4.29Å; S347-M349 WeakPolarHBondContact O-CE 3.37Å; S347-M349 PolarHBondContact O-N 3.42Å; S347-M349 VanDerWaalsContact O-N 3.17Å; M349-I351 HydrophobicContact CB-CD1 4.28Å; M349-I351 HydrophobicContact CB-CG1 3.91Å; M349-I351 HydrophobicContact CG-CD1 4.02Å; M349-I351 HydrophobicContact CG-CG1 4.01Å; M349-I351 HydrophobicContact SD-CD1 3.96Å; M349-N1997 PolarHBondContact N-O 3.1Å |
| 350 | C | 85.3 | Confident | 65.3 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.2 | 144 | -48.4 | 0 | 0 | 0 | 0 | 107.7 | A190 V192 L221 R222 W280 C376 | A190-C350 HydrophobicContact CB-CB 4.47Å; V192-C350 HydrophobicContact CG1-CB 3.7Å; V192-C350 WeakPolarHBondContact CG1-SG 3.31Å; L221-C350 WeakPolarHBondContact CA-O 3.2Å; R222-C350 HydrophobicContact CB-CB 3.89Å; R222-C350 PolarHBondContact N-O 3.03Å; R222-C350 PolarHBondContact O-N 2.97Å; W280-C350 HydrophobicContact CH2-CB 3.37Å; W280-C350 HydrophobicContact CZ2-CB 4.06Å; W280-C350 HydrophobicContact CZ3-CB 3.86Å; C350-C376 HydrophobicContact CB-CB 4.46Å; C350-C376 WeakPolarHBondContact CB-SG 3.37Å; C350-C376 VanDerWaalsContact SG-CA 3.54Å; C350-C376 WeakPolarHBondContact SG-CB 3.29Å; C350-C376 CovalentContact SG-SG 2.03Å; C350-C376 PolarHBondContact SG-SG 2.79Å |
| 351 | I | 86 | Confident | 67.5 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.7 | 170.2 | -57.7 | -165.7 | 0 | 0 | 0 | 108.3 | M191 I193 F219 K220 V230 F325 M349 A354 | M191-I351 PolarHBondContact N-O 2.82Å; M191-I351 PolarHBondContact O-N 3.39Å; M191-I351 VanDerWaalsContact O-O 3.05Å; I193-I351 HydrophobicContact CD1-CB 4.42Å; I193-I351 HydrophobicContact CD1-CD1 3.66Å; I193-I351 HydrophobicContact CD1-CG1 4.01Å; F219-I351 HydrophobicContact CB-CG2 4.13Å; F219-I351 HydrophobicContact CD2-CG2 4.32Å; F219-I351 HydrophobicContact CG-CG2 4.48Å; K220-I351 WeakPolarHBondContact O-CA 3.25Å; V230-I351 HydrophobicContact CG1-CD1 4.38Å; F325-I351 HydrophobicContact CB-CD1 4.04Å; F325-I351 HydrophobicContact CD1-CD1 3.26Å; F325-I351 HydrophobicContact CD1-CG2 4.34Å; F325-I351 HydrophobicContact CE1-CD1 3.79Å; F325-I351 HydrophobicContact CE1-CG2 3.94Å; F325-I351 HydrophobicContact CG-CD1 3.9Å; F325-I351 HydrophobicContact CZ-CG2 4.19Å; M349-I351 HydrophobicContact CB-CD1 4.28Å; M349-I351 HydrophobicContact CB-CG1 3.91Å; M349-I351 HydrophobicContact CG-CD1 4.02Å; M349-I351 HydrophobicContact CG-CG1 4.01Å; M349-I351 HydrophobicContact SD-CD1 3.96Å; I351-A354 HydrophobicContact CG2-CB 4.38Å |
| 352 | Q | 84.5 | Confident | 68.9 | Low | 43 Ų | 43 | 31.1 Ų | 31.1 | 20% | 0.201 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156.7 | -179.8 | -166.7 | -173.7 | -16.5 | 0 | 0 | 108.6 | A190 K220 W280 A354 | A190-Q352 HydrophobicContact CB-CB 4.22Å; A190-Q352 HydrophobicContact CB-CG 4.39Å; K220-Q352 PolarHBondContact N-O 3.13Å; K220-Q352 PolarHBondContact O-N 2.78Å; W280-Q352 HydrophobicContact CH2-CB 3.64Å; W280-Q352 HydrophobicContact CZ2-CB 4.44Å; W280-Q352 VanDerWaalsContact CZ2-OE1 3.3Å; W280-Q352 HydrophobicContact CZ3-CB 4Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.89Å |
| 353 | E | 83.1 | Confident | 70.4 | Confident | 66 Ų | 66 | 31 Ų | 31 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 45 | 175.9 | -73.4 | 163.8 | -132.3 | 0 | 0 | 112.8 | F219 K220 Y355 | F219-E353 WeakPolarHBondContact CA-O 3.38Å; K220-E353 WeakPolarHBondContact CE-OE2 3.3Å; K220-E353 IonicContact NZ-OE1 2.74Å; K220-E353 PolarHBondContact NZ-OE1 3.45Å; K220-E353 IonicContact NZ-OE2 3.36Å; K220-E353 PolarHBondContact NZ-OE2 2.83Å; E353-Y355 HydrophobicContact CB-CD2 4.42Å; E353-Y355 HydrophobicContact CB-CE2 3.83Å; E353-Y355 HydrophobicContact CG-CE2 4.3Å; E353-Y355 WeakPolarHBondContact O-CD2 3.39Å; E353-Y355 PolarHBondContact O-N 2.83Å |
| 354 | A | 83.9 | Confident | 71.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 101.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K218 F219 F325 I351 Q352 L361 F363 | K218-A354 WeakPolarHBondContact O-CA 3.44Å; F219-A354 HydrophobicContact CB-CB 4.43Å; F325-A354 HydrophobicContact CE2-CB 4.44Å; F325-A354 HydrophobicContact CZ-CB 3.95Å; I351-A354 HydrophobicContact CG2-CB 4.38Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.89Å; A354-L361 HydrophobicContact CB-CB 4.3Å; A354-L361 HydrophobicContact CB-CD1 4.45Å; A354-L361 PolarHBondContact O-N 2.89Å; A354-F363 HydrophobicContact CB-CZ 4.19Å |
| 355 | Y | 84.3 | Confident | 72.2 | Confident | 84 Ų | 84 | 39 Ų | 39 | 33% | 0.329 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.9 | -179.8 | -62.6 | -74.6 | 0 | 0 | 0 | 112.2 | F217 K218 E353 S359 E360 | F217-Y355 VanDerWaalsContact CD2-O 3.3Å; F217-Y355 WeakPolarHBondContact CD2-O 3.33Å; K218-Y355 PolarHBondContact N-O 3.15Å; K218-Y355 PolarHBondContact O-N 2.8Å; E353-Y355 HydrophobicContact CB-CD2 4.42Å; E353-Y355 HydrophobicContact CB-CE2 3.83Å; E353-Y355 HydrophobicContact CG-CE2 4.3Å; E353-Y355 WeakPolarHBondContact O-CD2 3.39Å; E353-Y355 PolarHBondContact O-N 2.83Å; Y355-S359 WeakPolarHBondContact CA-O 3.46Å; Y355-E360 HydrophobicContact CD1-CB 4.1Å; Y355-E360 HydrophobicContact CE1-CB 3.88Å; Y355-E360 HydrophobicContact CE1-CG 4.24Å |
| 356 | W | 79.7 | Confident | 73.1 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 101.5 | 167.3 | -172.1 | -88 | 0 | 0 | 0 | 109.5 | L203 L208 F211 T215 F217 F233 I287 I323 E358 S359 L361 | L203-W356 HydrophobicContact CD1-CD2 3.84Å; L203-W356 HydrophobicContact CD1-CE3 3.8Å; L203-W356 HydrophobicContact CD1-CH2 4.14Å; L203-W356 HydrophobicContact CD1-CZ2 4.14Å; L203-W356 HydrophobicContact CD1-CZ3 3.96Å; L203-W356 HydrophobicContact CD2-CD2 4.28Å; L203-W356 HydrophobicContact CD2-CG 4.19Å; L208-W356 HydrophobicContact CD2-CB 4.07Å; L208-W356 HydrophobicContact CD2-CG 4.4Å; F211-W356 HydrophobicContact CD2-CZ2 4.33Å; F211-W356 AromaticContact CE2-CZ2 3.64Å; F211-W356 HydrophobicContact CE2-CZ2 3.64Å; F211-W356 HydrophobicContact CZ-CZ2 4.09Å; T215-W356 HydrophobicContact CG2-CZ2 4.41Å; F217-W356 HydrophobicContact CB-CE3 4.2Å; F217-W356 HydrophobicContact CB-CZ3 4.12Å; F217-W356 HydrophobicContact CD2-CD2 4.4Å; F217-W356 AromaticContact CD2-CE3 3.45Å; F217-W356 HydrophobicContact CD2-CE3 3.45Å; F217-W356 VanDerWaalsContact CD2-CE3 3.45Å; F217-W356 AromaticContact CD2-CZ3 3.98Å; F217-W356 HydrophobicContact CD2-CZ3 3.98Å; F217-W356 HydrophobicContact CE2-CE3 4Å; F217-W356 AromaticContact CG-CE3 3.95Å; F217-W356 HydrophobicContact CG-CE3 3.95Å; F217-W356 HydrophobicContact CG-CZ3 4.01Å; F233-W356 AromaticContact CD2-CH2 3.45Å; F233-W356 HydrophobicContact CD2-CH2 3.45Å; F233-W356 VanDerWaalsContact CD2-CH2 3.45Å; F233-W356 HydrophobicContact CD2-CZ2 4.32Å; F233-W356 AromaticContact CD2-CZ3 3.77Å; F233-W356 HydrophobicContact CD2-CZ3 3.77Å; F233-W356 AromaticContact CE2-CH2 3.31Å; F233-W356 HydrophobicContact CE2-CH2 3.31Å; F233-W356 AromaticContact CE2-CZ2 3.76Å; F233-W356 HydrophobicContact CE2-CZ2 3.76Å; F233-W356 HydrophobicContact CE2-CZ3 4.07Å; F233-W356 HydrophobicContact CG-CH2 4.28Å; F233-W356 HydrophobicContact CZ-CH2 4.06Å; F233-W356 HydrophobicContact CZ-CZ2 4.39Å; I287-W356 HydrophobicContact CD1-CH2 4.31Å; I323-W356 HydrophobicContact CD1-CZ3 4.35Å; W356-E358 PolarHBondContact O-N 3.07Å; W356-S359 PolarHBondContact N-O 2.67Å; W356-S359 WeakPolarHBondContact O-CB 3.3Å; W356-S359 PolarHBondContact O-N 3.16Å; W356-L361 HydrophobicContact CB-CD2 4.24Å; W356-L361 HydrophobicContact CB-CG 4.45Å |
| 357 | G | 75.8 | Confident | 73.8 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -115.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111 | P216 | P216-G357 WeakPolarHBondContact O-CA 3.43Å; P216-G357 PolarHBondContact O-N 3.26Å |
| 358 | E | 72.2 | Confident | 73.8 | Confident | 179 Ų | 179 | 45.9 Ų | 45.9 | 84% | 0.836 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | 10.3 | 175.7 | -58.4 | -61.6 | 138.2 | 0 | 0 | 112.7 | W356 | W356-E358 PolarHBondContact O-N 3.07Š|
| 359 | S | 71.4 | Confident | 73 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.7 | -174 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | Y355 W356 | Y355-S359 WeakPolarHBondContact CA-O 3.46Å; W356-S359 PolarHBondContact N-O 2.67Å; W356-S359 WeakPolarHBondContact O-CB 3.3Å; W356-S359 PolarHBondContact O-N 3.16Å |
| 360 | E | 73.3 | Confident | 71.6 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.3 | 175.3 | -176 | 173 | -128.4 | 0 | 0 | 111.9 | S187 Y355 N362 | S187-E360 VanDerWaalsContact CA-OE1 3.29Å; S187-E360 WeakPolarHBondContact CA-OE1 3.48Å; S187-E360 WeakPolarHBondContact CB-OE1 3.39Å; S187-E360 WeakPolarHBondContact CB-OE2 3.46Å; Y355-E360 HydrophobicContact CD1-CB 4.1Å; Y355-E360 HydrophobicContact CE1-CB 3.88Å; Y355-E360 HydrophobicContact CE1-CG 4.24Å; E360-N362 PolarHBondContact O-N 2.73Å |
| 361 | L | 75.8 | Confident | 70.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -85.8 | 82.4 | 176.6 | -63.4 | 180 | 0 | 0 | 0 | 110.9 | F201 L203 L208 F217 I323 F325 A354 W356 F363 | F201-L361 HydrophobicContact CD2-CB 4.3Å; F201-L361 HydrophobicContact CD2-CD1 4.13Å; F201-L361 HydrophobicContact CE1-CB 4.12Å; F201-L361 HydrophobicContact CE2-CB 3.86Å; F201-L361 HydrophobicContact CE2-CD1 4.29Å; F201-L361 HydrophobicContact CG-CD2 4.48Å; F201-L361 HydrophobicContact CZ-CB 3.74Å; F201-L361 WeakPolarHBondContact CZ-O 3.42Å; L203-L361 HydrophobicContact CD2-CD2 3.79Å; L208-L361 HydrophobicContact CD1-CD2 4.09Å; L208-L361 HydrophobicContact CD2-CD2 3.87Å; F217-L361 HydrophobicContact CE2-CD1 4.14Å; I323-L361 HydrophobicContact CG2-CD1 4.17Å; F325-L361 HydrophobicContact CE2-CD1 4.01Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å; A354-L361 HydrophobicContact CB-CB 4.3Å; A354-L361 HydrophobicContact CB-CD1 4.45Å; A354-L361 PolarHBondContact O-N 2.89Å; W356-L361 HydrophobicContact CB-CD2 4.24Å; W356-L361 HydrophobicContact CB-CG 4.45Å; L361-F363 PolarHBondContact O-N 3.36Å | ||
| 362 | N | 68.8 | Low | 68.5 | Low | 48 Ų | 48 | 52.7 Ų | 52.7 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | trans | -63.9 | 106.6 | 178.8 | 177.6 | -12.7 | 0 | 0 | 0 | 111.9 | A186 E360 L364 N365 | A186-N362 WeakPolarHBondContact CB-ND2 3.4Å; A186-N362 WeakPolarHBondContact CB-OD1 3.35Å; E360-N362 PolarHBondContact O-N 2.73Å; N362-L364 VanDerWaalsContact C-N 3.25Å; N362-L364 PolarHBondContact O-N 3.46Å; N362-L364 VanDerWaalsContact O-N 3.16Å; N362-L364 WeakPolarHBondContact OD1-CB 3.38Å; N362-L364 PolarHBondContact OD1-N 2.93Å; N362-N365 WeakPolarHBondContact O-CB 3.34Å; N362-N365 PolarHBondContact O-N 3.07Å | ||
| 363 | F | 68.4 | Low | 67.1 | Low | 28 Ų | 28 | 51.5 Ų | 51.5 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -58 | -23.8 | -176.7 | -59.1 | -80.1 | 0 | 0 | 0 | 115.9 | M191 I199 F201 A354 L361 N365 A366 | M191-F363 HydrophobicContact CB-CD1 4.06Å; M191-F363 HydrophobicContact CB-CD2 4.31Å; M191-F363 HydrophobicContact CB-CE1 3.96Å; M191-F363 HydrophobicContact CB-CE2 4.21Å; M191-F363 HydrophobicContact CB-CG 4.24Å; M191-F363 HydrophobicContact CB-CZ 4.03Å; M191-F363 HydrophobicContact CE-CB 3.81Å; M191-F363 HydrophobicContact CE-CG 4.34Å; M191-F363 HydrophobicContact CG-CB 3.82Å; M191-F363 HydrophobicContact CG-CD1 3.66Å; M191-F363 HydrophobicContact CG-CD2 3.42Å; M191-F363 VanDerWaalsContact CG-CD2 3.42Å; M191-F363 HydrophobicContact CG-CE1 3.99Å; M191-F363 HydrophobicContact CG-CE2 3.76Å; M191-F363 HydrophobicContact CG-CG 3.36Å; M191-F363 HydrophobicContact CG-CZ 4.03Å; M191-F363 HydrophobicContact SD-CB 4.34Å; M191-F363 HydrophobicContact SD-CG 4.49Å; I199-F363 HydrophobicContact CD1-CD1 3.69Å; I199-F363 HydrophobicContact CD1-CE1 3.64Å; I199-F363 HydrophobicContact CG2-CD1 3.78Å; I199-F363 HydrophobicContact CG2-CE1 4.21Å; F201-F363 AromaticContact CE2-CD1 3.93Å; F201-F363 HydrophobicContact CE2-CD1 3.93Å; F201-F363 AromaticContact CE2-CE1 3.99Å; F201-F363 HydrophobicContact CE2-CE1 3.99Å; F201-F363 HydrophobicContact CZ-CB 4.49Å; F201-F363 AromaticContact CZ-CD1 3.52Å; F201-F363 HydrophobicContact CZ-CD1 3.52Å; F201-F363 AromaticContact CZ-CE1 3.97Å; F201-F363 HydrophobicContact CZ-CE1 3.97Å; F201-F363 HydrophobicContact CZ-CG 4.11Å; A354-F363 HydrophobicContact CB-CZ 4.19Å; L361-F363 PolarHBondContact O-N 3.36Å; F363-N365 PolarHBondContact O-N 3.28Å; F363-A366 WeakPolarHBondContact O-CB 3.49Å; F363-A366 PolarHBondContact O-N 3.33Å |
| 364 | L | 59.8 | Low | 66 | Low | 85 Ų | 85 | 51.7 Ų | 51.7 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -66.1 | -20.2 | 173.3 | -65 | 170.4 | 0 | 0 | 0 | 112.6 | A186 N362 | A186-L364 HydrophobicContact CB-CD1 4.17Å; N362-L364 VanDerWaalsContact C-N 3.25Å; N362-L364 PolarHBondContact O-N 3.46Å; N362-L364 VanDerWaalsContact O-N 3.16Å; N362-L364 WeakPolarHBondContact OD1-CB 3.38Å; N362-L364 PolarHBondContact OD1-N 2.93Å |
| 365 | N | 61.5 | Low | 64.9 | Low | 122 Ų | 122 | 55.9 Ų | 55.9 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -100.2 | 12 | 178.4 | -62.2 | -39.9 | 0 | 0 | 0 | 113.4 | N362 F363 | N362-N365 WeakPolarHBondContact O-CB 3.34Å; N362-N365 PolarHBondContact O-N 3.07Å; F363-N365 PolarHBondContact O-N 3.28Å |
| 366 | A | 62.1 | Low | 64 | Low | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | trans | -59.7 | 141 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I199 R200 F201 F363 | I199-A366 HydrophobicContact CG2-CB 4.02Å; R200-A366 WeakPolarHBondContact O-CA 3.43Å; F201-A366 HydrophobicContact CE1-CB 4.27Å; F363-A366 WeakPolarHBondContact O-CB 3.49Å; F363-A366 PolarHBondContact O-N 3.33Å | ||
| 367 | I | 63.5 | Low | 63.3 | Low | 100 Ų | 100 | 53.3 Ų | 53.3 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -69 | -45.7 | -178.6 | -42.8 | 173.2 | 0 | 0 | 0 | 109.7 | R200 D202 | R200-I367 HydrophobicContact CG-CD1 4.19Å; R200-I367 PolarHBondContact O-N 3.49Å; D202-I367 HydrophobicContact CB-CD1 3.62Å; D202-I367 HydrophobicContact CB-CG1 4.33Å |
| 368 | S | 56.5 | Low | 62.5 | Low | 48 Ų | 48 | 57.5 Ų | 57.5 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -139.4 | 151 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 108.9 | R200 | R200-S368 WeakPolarHBondContact CB-OG 3.04Å; R200-S368 PolarHBondContact N-O 2.84Å; R200-S368 VanDerWaalsContact N-O 3.08Å |
| 369 | S | 56.3 | Low | 61.8 | Low | 55 Ų | 55 | 49.5 Ų | 49.5 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -144.9 | 102.5 | 169.1 | 55.4 | 0 | 0 | 0 | 0 | 108.4 | N198 V371 | N198-S369 WeakPolarHBondContact O-CA 3.13Å; S369-V371 PolarHBondContact O-N 3.43Å | ||
| 370 | S | 51.5 | Low | 61.6 | Low | 26 Ų | 26 | 47.6 Ų | 47.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -69.4 | 103.7 | 164.3 | 55 | 0 | 0 | 0 | 0 | 106.8 | M196 G197 N198 | M196-S370 PolarHBondContact O-OG 2.84Å; G197-S370 WeakPolarHBondContact CA-O 3.41Å; N198-S370 PolarHBondContact N-O 2.75Å; N198-S370 PolarHBondContact N-OG 3.42Å; N198-S370 VanDerWaalsContact N-OG 3.09Å; N198-S370 PolarHBondContact ND2-OG 2.81Å; N198-S370 PolarHBondContact O-N 2.68Å; N198-S370 PolarHBondContact OD1-N 2.78Å; N198-S370 PolarHBondContact OD1-OG 3.37Å |
| 371 | V | 53.7 | Low | 60.9 | Low | 28 Ų | 28 | 47.4 Ų | 47.4 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 49 | 106.1 | 171.8 | -155.4 | 0 | 0 | 0 | 0 | 114 | P194 S369 S1952 M1956 | P194-V371 WeakPolarHBondContact CD-O 3.41Å; P194-V371 HydrophobicContact CG-CB 3.93Å; P194-V371 HydrophobicContact CG-CG1 4.48Å; P194-V371 WeakPolarHBondContact CG-O 3.39Å; S369-V371 PolarHBondContact O-N 3.43Å; V371-S1952 VanDerWaalsContact CB-CB 3.45Å; V371-S1952 VanDerWaalsContact CG1-CB 3.47Å; V371-M1956 HydrophobicContact CB-CG 4.38Å; V371-M1956 HydrophobicContact CB-SD 4.11Å; V371-M1956 HydrophobicContact CG1-CB 4.35Å; V371-M1956 HydrophobicContact CG1-CG 3.69Å; V371-M1956 HydrophobicContact CG1-SD 3.88Å; V371-M1956 HydrophobicContact CG2-CB 4.05Å; V371-M1956 HydrophobicContact CG2-CG 3.82Å; V371-M1956 HydrophobicContact CG2-SD 3.29Å; V371-M1956 WeakPolarHBondContact CG2-SD 3.32Å |
| 372 | V | 52.8 | Low | 59.8 | Low | 35 Ų | 35 | 56 Ų | 56 | 21% | 0.212 | 31% | 0.309 | C | S | . | . | trans | -143 | 119 | -179 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | M191 V192 N198 I199 | M191-V372 HydrophobicContact CB-CG1 4.24Å; M191-V372 HydrophobicContact CE-CB 4.18Å; M191-V372 HydrophobicContact CE-CG1 3.42Å; M191-V372 VanDerWaalsContact CE-CG1 3.42Å; M191-V372 HydrophobicContact SD-CG1 4.26Å; V192-V372 WeakPolarHBondContact O-CG1 3.3Å; N198-V372 WeakPolarHBondContact O-CG2 3.36Å; I199-V372 HydrophobicContact CD1-CG1 3.79Å; I199-V372 HydrophobicContact CD1-CG2 4.47Å; I199-V372 HydrophobicContact CG1-CG1 3.99Å; I199-V372 HydrophobicContact CG1-CG2 3.77Å | ||
| 373 | T | 55.1 | Low | 58.8 | Low | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 160.9 | 174 | 13.8 | 0 | 0 | 0 | 0 | 111.8 | V192 S1996 N1997 | V192-T373 WeakPolarHBondContact CG2-O 3.31Å; V192-T373 PolarHBondContact N-O 2.85Å; V192-T373 VanDerWaalsContact N-O 3.1Å; T373-S1996 PolarHBondContact N-O 3.16Å; T373-S1996 WeakPolarHBondContact OG1-CB 3.04Å; T373-S1996 PolarHBondContact OG1-O 2.68Å; T373-S1996 PolarHBondContact OG1-OG 2.98Å; T373-N1997 WeakPolarHBondContact CB-OD1 3.34Å; T373-N1997 PolarHBondContact OG1-OD1 2.77Å |
| 374 | T | 59.4 | Low | 57.6 | Low | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 148.6 | 161.5 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | A189 M191 | A189-T374 HydrophobicContact CB-CG2 4.11Å; M191-T374 HydrophobicContact SD-CG2 3.64Å |
| 375 | D | 61.1 | Low | 56.7 | Low | 92 Ų | 92 | 69.5 Ų | 69.5 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 78.1 | 121.1 | 174.9 | -54.3 | -45.4 | 0 | 0 | 0 | 116.4 | A190 V192 N1997 | A190-D375 PolarHBondContact O-N 2.82Å; V192-D375 WeakPolarHBondContact CG2-O 3.42Å; D375-N1997 PolarHBondContact O-ND2 3.14Å |
| 376 | C | 66.4 | Low | 55.7 | Low | 32 Ų | 32 | 66.4 Ų | 66.4 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | trans | -53.8 | 150 | 174.2 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | W280 C350 | W280-C376 VanDerWaalsContact CZ2-SG 3.54Å; C350-C376 HydrophobicContact CB-CB 4.46Å; C350-C376 WeakPolarHBondContact CB-SG 3.37Å; C350-C376 VanDerWaalsContact SG-CA 3.54Å; C350-C376 WeakPolarHBondContact SG-CB 3.29Å; C350-C376 CovalentContact SG-SG 2.03Å; C350-C376 PolarHBondContact SG-SG 2.79Å | ||
| 377 | P | 64.4 | Low | 54.8 | Low | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.019 | 37% | 0.374 | C | S | . | . | trans | -71.1 | 158.2 | 173.2 | 34 | -40.1 | 0 | 0 | 0 | 113.9 | L348 L380 W391 D1994 N1997 | L348-P377 HydrophobicContact CD1-CG 3.96Å; P377-L380 HydrophobicContact CG-CB 4.28Å; P377-L380 HydrophobicContact CG-CD1 3.81Å; P377-L380 HydrophobicContact CG-CG 3.86Å; P377-W391 HydrophobicContact CB-CH2 3.95Å; P377-W391 HydrophobicContact CB-CZ2 4.02Å; P377-D1994 VanDerWaalsContact CB-CG 3.41Å; P377-D1994 WeakPolarHBondContact CB-OD1 3.3Å; P377-D1994 WeakPolarHBondContact CB-OD2 3.44Å; P377-D1994 VanDerWaalsContact CD-OD1 3.25Å; P377-D1994 WeakPolarHBondContact CD-OD1 3.19Å; P377-D1994 WeakPolarHBondContact CG-OD1 3.26Å; P377-D1994 WeakPolarHBondContact CG-OD2 3.49Å; P377-N1997 WeakPolarHBondContact CD-ND2 3.43Å | ||
| 378 | P | 59.6 | Low | 54.1 | Low | 103 Ų | 103 | 64.3 Ų | 64.3 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -68.1 | -28.6 | 166.1 | -21.4 | 34.4 | 0 | 0 | 0 | 114.8 | L380 D381 | P378-L380 PolarHBondContact O-N 3.07Å; P378-D381 WeakPolarHBondContact O-CB 3.41Å; P378-D381 PolarHBondContact O-N 2.92Å; P378-D381 VanDerWaalsContact O-N 3.09Å |
| 379 | C | 56.6 | Low | 53.4 | Low | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -69.9 | -15.1 | -172.9 | 72.5 | 0 | 0 | 0 | 0 | 114.9 | D381 C388 W391 W1981 D1994 H1999 | C379-D381 PolarHBondContact O-N 3.32Å; C379-C388 PolarHBondContact O-SG 3.01Å; C379-W391 HydrophobicContact CB-CZ2 3.7Å; C379-W391 WeakPolarHBondContact SG-CZ2 2.94Å; C379-W391 PolarHBondContact SG-NE1 3.07Å; C379-W1981 HydrophobicContact CB-CH2 4.05Å; C379-W1981 HydrophobicContact CB-CZ3 4.18Å; C379-D1994 PolarHBondContact SG-OD2 2.7Å; C379-H1999 PolarHBondContact SG-CE1 2.86Å; C379-H1999 PolarHBondContact SG-ND1 2.7Å; C379-H1999 VanDerWaalsContact SG-ND1 3.45Å |
| 380 | L | 66.2 | Low | 52.5 | Low | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -67.8 | -5 | 170.8 | -89.3 | 173.6 | 0 | 0 | 0 | 112.2 | R222 G278 L348 P377 P378 H1999 | R222-L380 HydrophobicContact CB-CD1 4.08Å; R222-L380 HydrophobicContact CG-CD1 3.55Å; R222-L380 HydrophobicContact CG-CD2 4.34Å; R222-L380 HydrophobicContact CG-CG 4.4Å; R222-L380 VanDerWaalsContact NH2-C 3.25Å; R222-L380 PolarHBondContact NH2-O 2.99Å; G278-L380 VanDerWaalsContact O-O 3.1Å; L348-L380 HydrophobicContact CD2-CD1 3.14Å; L348-L380 HydrophobicContact CD2-CD2 3.67Å; L348-L380 HydrophobicContact CD2-CG 3.59Å; P377-L380 HydrophobicContact CG-CB 4.28Å; P377-L380 HydrophobicContact CG-CD1 3.81Å; P377-L380 HydrophobicContact CG-CG 3.86Å; P378-L380 PolarHBondContact O-N 3.07Å; L380-H1999 WeakPolarHBondContact CD2-NE2 3.2Å |
| 381 | D | 59.6 | Low | 52 | Low | 74 Ų | 74 | 58.8 Ų | 58.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -96.7 | 113.3 | -178.2 | -155.3 | -61.5 | 0 | 0 | 0 | 111.1 | R222 P378 C379 S383 | R222-D381 IonicContact NH2-OD2 3.22Å; P378-D381 WeakPolarHBondContact O-CB 3.41Å; P378-D381 PolarHBondContact O-N 2.92Å; P378-D381 VanDerWaalsContact O-N 3.09Å; C379-D381 PolarHBondContact O-N 3.32Å; D381-S383 PolarHBondContact O-N 2.76Å; D381-S383 WeakPolarHBondContact OD1-CB 3.39Å; D381-S383 PolarHBondContact OD1-N 2.94Å; D381-S383 VanDerWaalsContact OD1-N 3.1Å; D381-S383 PolarHBondContact OD1-OG 2.98Å | ||
| 382 | R | 53.2 | Low | 51.3 | Low | 182 Ų | 182 | 57.4 Ų | 57.4 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -4.1 | 179.9 | -70.1 | -172 | 177.5 | -157.9 | -5.6 | 114.2 | D277 R384 | D277-R382 PolarHBondContact O-NE 2.62Å; D277-R382 PolarHBondContact O-NH2 2.78Å; R382-R384 PolarHBondContact O-N 2.84Å |
| 383 | S | 47.8 | Very low | 50.3 | Low | 93 Ų | 93 | 55.8 Ų | 55.8 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.1 | 179 | 62.1 | 0 | 0 | 0 | 0 | 115 | D381 | D381-S383 PolarHBondContact O-N 2.76Å; D381-S383 WeakPolarHBondContact OD1-CB 3.39Å; D381-S383 PolarHBondContact OD1-N 2.94Å; D381-S383 VanDerWaalsContact OD1-N 3.1Å; D381-S383 PolarHBondContact OD1-OG 2.98Å |
| 384 | R | 42.7 | Very low | 49.2 | Very low | 189 Ų | 189 | 54.9 Ų | 54.9 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -130.5 | 133.6 | 177.3 | -63.8 | -175.3 | 177.7 | -168.8 | -2.7 | 111.3 | R382 S386 | R382-R384 PolarHBondContact O-N 2.84Å; R384-S386 WeakPolarHBondContact CB-OG 3.29Å; R384-S386 PolarHBondContact O-N 3.1Å |
| 385 | N | 40.2 | Very low | 47.9 | Very low | 164 Ų | 164 | 51.6 Ų | 51.6 | 88% | 0.877 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -80.1 | 7.5 | 175.2 | -85.6 | -5 | 0 | 0 | 0 | 113.9 | P387 | N385-P387 VanDerWaalsContact O-CD 3.23Å; N385-P387 WeakPolarHBondContact O-CD 3.37Å; N385-P387 VanDerWaalsContact O-N 3.15Å |
| 386 | S | 41.8 | Very low | 46.5 | Very low | 57 Ų | 57 | 47.2 Ų | 47.2 | 40% | 0.399 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -57.5 | 112.3 | 146.5 | 52.2 | 0 | 0 | 0 | 0 | 105.2 | R384 | R384-S386 WeakPolarHBondContact CB-OG 3.29Å; R384-S386 PolarHBondContact O-N 3.1Å |
| 387 | P | 42.7 | Very low | 44.8 | Very low | 49 Ų | 49 | 45.7 Ų | 45.7 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | trans | -65.9 | -173.5 | -163 | 20.5 | -27.1 | 0 | 0 | 0 | 111.7 | N385 T389 W1981 | N385-P387 VanDerWaalsContact O-CD 3.23Å; N385-P387 WeakPolarHBondContact O-CD 3.37Å; N385-P387 VanDerWaalsContact O-N 3.15Å; P387-T389 VanDerWaalsContact CB-OG1 3.23Å; P387-T389 WeakPolarHBondContact CB-OG1 3.18Å; P387-T389 WeakPolarHBondContact CG-OG1 3.18Å; P387-W1981 VanDerWaalsContact C-CE2 3.43Å; P387-W1981 HydrophobicContact CB-CZ2 3.47Å; P387-W1981 VanDerWaalsContact CB-CZ2 3.47Å; P387-W1981 HydrophobicContact CG-CZ2 3.77Å; P387-W1981 WeakPolarHBondContact O-CH2 3.4Å; P387-W1981 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 388 | C | 48.3 | Very low | 43.1 | Very low | 19 Ų | 19 | 46 Ų | 46 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72 | -4.7 | 151.7 | -27.3 | 0 | 0 | 0 | 0 | 125 | C379 W391 W1981 N1983 I2000 | C379-C388 PolarHBondContact O-SG 3.01Å; C388-W391 VanDerWaalsContact O-CD1 3.31Å; C388-W391 PolarHBondContact O-N 3.49Å; C388-W1981 VanDerWaalsContact CA-NE1 3.3Å; C388-W1981 HydrophobicContact CB-CD2 2.8Å; C388-W1981 VanDerWaalsContact CB-CE2 3.44Å; C388-W1981 HydrophobicContact CB-CE3 2.6Å; C388-W1981 HydrophobicContact CB-CG 3.89Å; C388-W1981 HydrophobicContact CB-CH2 3.74Å; C388-W1981 HydrophobicContact CB-CZ2 3.91Å; C388-W1981 HydrophobicContact CB-CZ3 3.13Å; C388-W1981 WeakPolarHBondContact O-CH2 3.37Å; C388-W1981 WeakPolarHBondContact O-CZ2 3.14Å; C388-W1981 WeakPolarHBondContact O-CZ3 3.39Å; C388-N1983 WeakPolarHBondContact CB-ND2 3.43Å; C388-I2000 WeakPolarHBondContact O-CD1 3.19Å |
| 389 | T | 41.3 | Very low | 41.7 | Very low | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | cis | 75.5 | 39.4 | 11.6 | 93.4 | 0 | 0 | 0 | 0 | 124.8 | P387 W1981 T1985 P1986 L1987 K1988 Q1989 | P387-T389 VanDerWaalsContact CB-OG1 3.23Å; P387-T389 WeakPolarHBondContact CB-OG1 3.18Å; P387-T389 WeakPolarHBondContact CG-OG1 3.18Å; T389-W1981 VanDerWaalsContact CB-CZ2 3.47Å; T389-W1981 HydrophobicContact CG2-CB 4.26Å; T389-W1981 HydrophobicContact CG2-CD2 4.15Å; T389-W1981 HydrophobicContact CG2-CG 3.62Å; T389-W1981 HydrophobicContact CG2-CZ2 4.3Å; T389-W1981 WeakPolarHBondContact OG1-CZ2 3.5Å; T389-W1981 PolarHBondContact OG1-NE1 3.28Å; T389-T1985 VanDerWaalsContact CG2-C 3.49Å; T389-T1985 WeakPolarHBondContact CG2-O 3.48Å; T389-P1986 WeakPolarHBondContact CB-O 3.4Å; T389-P1986 WeakPolarHBondContact CG2-O 3.06Å; T389-P1986 PolarHBondContact OG1-O 2.7Å; T389-L1987 HydrophobicContact CG2-CB 3.97Å; T389-L1987 HydrophobicContact CG2-CD1 3.83Å; T389-L1987 HydrophobicContact CG2-CG 4.21Å; T389-K1988 CarbonylContact O-C 3.54Å; T389-K1988 VanDerWaalsContact O-C 3.29Å; T389-K1988 WeakPolarHBondContact O-CA 3.13Å; T389-K1988 PolarHBondContact O-N 3Å; T389-Q1989 PolarHBondContact O-N 3.47Å | ||
| 390 | S | 37.4 | Very low | 40.6 | Very low | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | cis | 66.9 | -150.6 | -16.5 | -111 | 0 | 0 | 0 | 0 | 118.9 | V392 W1981 L1987 Q1989 F1990 | S390-V392 PolarHBondContact O-N 3.24Å; S390-V392 VanDerWaalsContact O-N 3.16Å; S390-W1981 VanDerWaalsContact CB-CZ2 3.48Å; S390-W1981 WeakPolarHBondContact OG-CH2 3.26Å; S390-L1987 WeakPolarHBondContact O-CD1 3.23Å; S390-L1987 WeakPolarHBondContact O-CD2 3.47Å; S390-L1987 WeakPolarHBondContact O-CG 3.41Å; S390-Q1989 WeakPolarHBondContact CA-O 3.47Å; S390-Q1989 WeakPolarHBondContact CB-O 3.38Å; S390-Q1989 VanDerWaalsContact OG-C 3.23Å; S390-Q1989 PolarHBondContact OG-O 3.23Å; S390-F1990 VanDerWaalsContact C-CD1 3.44Å; S390-F1990 VanDerWaalsContact O-CD1 3.27Å; S390-F1990 WeakPolarHBondContact O-CD1 3.29Å; S390-F1990 WeakPolarHBondContact O-CE1 3.33Å; S390-F1990 WeakPolarHBondContact OG-CA 3.27Å; S390-F1990 PolarHBondContact OG-N 2.9Å | ||
| 391 | W | 42.3 | Very low | 38.9 | Very low | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | S | Bend | -74.6 | 19.3 | -112 | -36.8 | 78.3 | 0 | 0 | 0 | 124.8 | P377 C379 C388 W1981 F1990 T1991 D1994 H1999 I2000 | P377-W391 HydrophobicContact CB-CH2 3.95Å; P377-W391 HydrophobicContact CB-CZ2 4.02Å; C379-W391 HydrophobicContact CB-CZ2 3.7Å; C379-W391 WeakPolarHBondContact SG-CZ2 2.94Å; C379-W391 PolarHBondContact SG-NE1 3.07Å; C388-W391 VanDerWaalsContact O-CD1 3.31Å; C388-W391 PolarHBondContact O-N 3.49Å; W391-W1981 AromaticContact CD1-CH2 3.78Å; W391-W1981 AromaticContact CD1-CZ3 3.32Å; W391-W1981 AromaticContact NE1-CH2 3.39Å; W391-W1981 AromaticContact NE1-CZ3 3.14Å; W391-F1990 HydrophobicContact CB-CB 3.92Å; W391-F1990 HydrophobicContact CB-CD1 4.22Å; W391-F1990 HydrophobicContact CB-CD2 4.24Å; W391-F1990 HydrophobicContact CB-CG 3.94Å; W391-F1990 HydrophobicContact CD2-CB 3.84Å; W391-F1990 HydrophobicContact CE3-CB 3.72Å; W391-F1990 HydrophobicContact CG-CB 4.01Å; W391-F1990 WeakPolarHBondContact O-CD2 3.35Å; W391-F1990 WeakPolarHBondContact O-CE2 3.43Å; W391-F1990 WeakPolarHBondContact O-CZ 3.44Å; W391-T1991 VanDerWaalsContact CE3-C 3.42Å; W391-T1991 HydrophobicContact CH2-CG2 3.47Å; W391-T1991 VanDerWaalsContact CH2-CG2 3.47Å; W391-T1991 WeakPolarHBondContact CH2-OG1 3.35Å; W391-T1991 HydrophobicContact CZ2-CG2 4.17Å; W391-T1991 VanDerWaalsContact CZ3-CB 3.44Å; W391-T1991 HydrophobicContact CZ3-CG2 3.92Å; W391-T1991 WeakPolarHBondContact CZ3-O 3.26Å; W391-T1991 WeakPolarHBondContact CZ3-OG1 3.41Å; W391-D1994 VanDerWaalsContact CB-C 3.41Å; W391-D1994 HydrophobicContact CB-CB 3.95Å; W391-D1994 WeakPolarHBondContact CB-O 3.44Å; W391-D1994 HydrophobicContact CD2-CB 3.3Å; W391-D1994 HydrophobicContact CE3-CB 3.38Å; W391-D1994 HydrophobicContact CG-CB 3.47Å; W391-D1994 VanDerWaalsContact CG-CB 3.47Å; W391-D1994 HydrophobicContact CH2-CB 4.46Å; W391-D1994 HydrophobicContact CZ2-CB 4.45Å; W391-D1994 WeakPolarHBondContact CZ2-OD2 3.21Å; W391-D1994 HydrophobicContact CZ3-CB 3.94Å; W391-D1994 PolarHBondContact NE1-OD2 2.77Å; W391-H1999 HydrophobicContact CB-CB 4.32Å; W391-H1999 AromaticContact CD1-CG 3.86Å; W391-H1999 AromaticContact CD1-ND1 3.52Å; W391-H1999 HydrophobicContact CG-CB 4.17Å; W391-H1999 AromaticContact NE1-ND1 3.55Å; W391-I2000 VanDerWaalsContact CA-CG1 3.47Å; W391-I2000 HydrophobicContact CB-CD1 3.43Å; W391-I2000 VanDerWaalsContact CB-CD1 3.43Å; W391-I2000 HydrophobicContact CB-CG1 3.49Å; W391-I2000 VanDerWaalsContact CB-CG1 3.49Å; W391-I2000 HydrophobicContact CG-CD1 4.04Å; W391-I2000 WeakPolarHBondContact O-CG1 3.47Å | |
| 392 | V | 39 | Very low | 37.5 | Very low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -144.2 | -42.6 | 175.6 | 120.2 | 0 | 0 | 0 | 0 | 128.1 | P195 S390 T394 I1950 L1955 L1979 F1990 I1995 I2000 L2016 | P195-V392 HydrophobicContact CG-CG2 4.42Å; S390-V392 PolarHBondContact O-N 3.24Å; S390-V392 VanDerWaalsContact O-N 3.16Å; V392-T394 PolarHBondContact O-N 3.06Å; V392-I1950 HydrophobicContact CB-CB 4.37Å; V392-I1950 HydrophobicContact CG1-CB 3.63Å; V392-I1950 HydrophobicContact CG1-CD1 3.44Å; V392-I1950 VanDerWaalsContact CG1-CD1 3.44Å; V392-I1950 HydrophobicContact CG1-CG1 4.14Å; V392-I1950 HydrophobicContact CG1-CG2 4.04Å; V392-I1950 HydrophobicContact CG2-CB 3.85Å; V392-I1950 HydrophobicContact CG2-CG2 3.86Å; V392-I1950 WeakPolarHBondContact CG2-O 3.23Å; V392-L1955 HydrophobicContact CB-CD2 4.18Å; V392-L1955 HydrophobicContact CG2-CD2 3.3Å; V392-L1979 HydrophobicContact CG1-CD2 3.62Å; V392-F1990 HydrophobicContact CB-CZ 4.3Å; V392-F1990 WeakPolarHBondContact O-CZ 3.33Å; V392-I1995 HydrophobicContact CG2-CG2 4.22Å; V392-I2000 HydrophobicContact CB-CB 3.49Å; V392-I2000 VanDerWaalsContact CB-CB 3.49Å; V392-I2000 HydrophobicContact CB-CG1 3.96Å; V392-I2000 HydrophobicContact CB-CG2 3.32Å; V392-I2000 HydrophobicContact CG1-CB 3.92Å; V392-I2000 HydrophobicContact CG1-CG2 3.44Å; V392-I2000 VanDerWaalsContact CG1-CG2 3.44Å; V392-I2000 HydrophobicContact CG2-CB 3.99Å; V392-I2000 HydrophobicContact CG2-CG1 4.31Å; V392-I2000 HydrophobicContact CG2-CG2 4.35Å; V392-L2016 WeakPolarHBondContact O-CD1 3.36Å | ||
| 393 | K | 31.6 | Very low | 36.6 | Very low | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | trans | 40.5 | -11.7 | 163.7 | -60.3 | 158.8 | 72.8 | -151 | 0 | 127.9 | V1970 Q1972 Q1973 L1979 L1987 F2014 Q2015 L2016 | K393-V1970 HydrophobicContact CB-CB 4.36Å; K393-V1970 HydrophobicContact CB-CG1 3.62Å; K393-V1970 HydrophobicContact CB-CG2 3.8Å; K393-V1970 HydrophobicContact CD-CB 4.38Å; K393-V1970 HydrophobicContact CD-CG1 3.87Å; K393-V1970 HydrophobicContact CD-CG2 3.97Å; K393-V1970 HydrophobicContact CG-CG1 4.31Å; K393-V1970 VanDerWaalsContact NZ-CB 3.32Å; K393-Q1972 WeakPolarHBondContact CE-O 3.25Å; K393-Q1973 VanDerWaalsContact CD-OE1 3.32Å; K393-Q1973 VanDerWaalsContact CE-CA 3.5Å; K393-L1979 HydrophobicContact CB-CD1 4.38Å; K393-L1979 HydrophobicContact CD-CB 3.71Å; K393-L1979 HydrophobicContact CG-CB 3.35Å; K393-L1979 HydrophobicContact CG-CD1 3.47Å; K393-L1979 VanDerWaalsContact CG-CD1 3.47Å; K393-L1979 HydrophobicContact CG-CD2 4.46Å; K393-L1979 HydrophobicContact CG-CG 3.94Å; K393-L1987 HydrophobicContact CB-CD2 3.53Å; K393-L1987 HydrophobicContact CD-CB 3.54Å; K393-L1987 HydrophobicContact CD-CD2 3.66Å; K393-L1987 HydrophobicContact CD-CG 4.18Å; K393-L1987 WeakPolarHBondContact CD-O 3.35Å; K393-L1987 HydrophobicContact CG-CB 4.16Å; K393-L1987 HydrophobicContact CG-CD2 3.44Å; K393-L1987 VanDerWaalsContact CG-CD2 3.44Å; K393-L1987 HydrophobicContact CG-CG 4.42Å; K393-L1987 PolarHBondContact NZ-O 3.21Å; K393-F2014 HydrophobicContact CB-CD2 3.86Å; K393-F2014 HydrophobicContact CG-CB 4.4Å; K393-F2014 HydrophobicContact CG-CD2 3.78Å; K393-F2014 CarbonylContact O-C 2.69Å; K393-F2014 VanDerWaalsContact O-C 3.27Å; K393-F2014 WeakPolarHBondContact O-CD2 3.5Å; K393-F2014 VanDerWaalsContact O-O 3.11Å; K393-Q2015 CarbonylContact O-C 2.99Å; K393-Q2015 PolarHBondContact O-N 2.97Å; K393-L2016 VanDerWaalsContact C-CD2 3.47Å; K393-L2016 HydrophobicContact CB-CD1 4.26Å; K393-L2016 HydrophobicContact CB-CD2 3.44Å; K393-L2016 VanDerWaalsContact CB-CD2 3.44Å; K393-L2016 HydrophobicContact CB-CG 4.44Å; K393-L2016 WeakPolarHBondContact O-CD2 3.46Å | ||
| 394 | T | 31.2 | Very low | 36.2 | Very low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -142.9 | 152.7 | -172.6 | 20.6 | 0 | 0 | 0 | 0 | 105 | V392 A430 F431 F502 I1950 F2014 L2016 Q2028 | V392-T394 PolarHBondContact O-N 3.06Å; T394-A430 PolarHBondContact OG1-O 2.88Å; T394-F431 HydrophobicContact CG2-CD1 4.1Å; T394-F431 HydrophobicContact CG2-CG 4.4Å; T394-F431 PolarHBondContact OG1-N 2.69Å; T394-F502 HydrophobicContact CG2-CE2 4.41Å; T394-F502 HydrophobicContact CG2-CZ 4.03Å; T394-I1950 WeakPolarHBondContact O-CG2 3.16Å; T394-F2014 WeakPolarHBondContact O-CE2 3.37Å; T394-F2014 WeakPolarHBondContact O-CZ 3.43Å; T394-L2016 HydrophobicContact CG2-CB 3.07Å; T394-L2016 HydrophobicContact CG2-CD1 4.42Å; T394-L2016 HydrophobicContact CG2-CG 4.35Å; T394-L2016 VanDerWaalsContact N-CD1 3.32Å; T394-L2016 WeakPolarHBondContact OG1-CB 3.15Å; T394-L2016 WeakPolarHBondContact OG1-CD1 2.93Å; T394-Q2028 HydrophobicContact CG2-CB 3.96Å | ||
| 395 | T | 32.9 | Very low | 36.1 | Very low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | cis | -116.5 | 31.9 | 41.1 | 31.2 | 0 | 0 | 0 | 0 | 119.2 | F431 F502 S1936 L1955 T2029 V2030 | T395-F431 HydrophobicContact CG2-CD1 3.73Å; T395-F502 WeakPolarHBondContact O-CE2 3.42Å; T395-F502 WeakPolarHBondContact O-CZ 3.41Å; T395-S1936 WeakPolarHBondContact CG2-OG 3.43Å; T395-L1955 HydrophobicContact CG2-CD1 3.59Å; T395-T2029 CarbonylContact O-C 3.48Å; T395-T2029 WeakPolarHBondContact O-CA 3.49Å; T395-V2030 CarbonylContact C-O 3.56Å; T395-V2030 VanDerWaalsContact CB-CG2 3.48Å; T395-V2030 HydrophobicContact CG2-CG2 4.39Å; T395-V2030 VanDerWaalsContact O-CA 3.28Å; T395-V2030 WeakPolarHBondContact O-CA 3.33Å; T395-V2030 WeakPolarHBondContact O-CB 3.3Å; T395-V2030 PolarHBondContact O-N 2.9Å; T395-V2030 VanDerWaalsContact OG1-CB 3.31Å; T395-V2030 WeakPolarHBondContact OG1-CB 3.25Å; T395-V2030 WeakPolarHBondContact OG1-CG1 3.46Å; T395-V2030 WeakPolarHBondContact OG1-CG2 3.35Å |
| 396 | A | 31.1 | Very low | 36.5 | Very low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -176.3 | 131.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F502 Q2013 F2014 T2029 V2030 | A396-F502 HydrophobicContact CB-CE1 4.4Å; A396-F502 HydrophobicContact CB-CZ 4.12Å; A396-Q2013 HydrophobicContact CB-CB 3.42Å; A396-Q2013 VanDerWaalsContact CB-CB 3.42Å; A396-Q2013 CarbonylContact O-C 3.6Å; A396-Q2013 WeakPolarHBondContact O-CA 3.1Å; A396-Q2013 WeakPolarHBondContact O-CB 3.33Å; A396-F2014 CarbonylContact C-O 2.78Å; A396-F2014 VanDerWaalsContact CA-O 3.23Å; A396-F2014 WeakPolarHBondContact CA-O 3.34Å; A396-F2014 PolarHBondContact N-O 2.86Å; A396-F2014 CarbonylContact O-C 3.23Å; A396-F2014 WeakPolarHBondContact O-CA 3.45Å; A396-F2014 WeakPolarHBondContact O-CD1 3.42Å; A396-F2014 PolarHBondContact O-N 3.05Å; A396-T2029 HydrophobicContact CB-CG2 3.22Å; A396-V2030 VanDerWaalsContact CB-N 3.32Å; A396-V2030 WeakPolarHBondContact CB-O 3.01Å |
| 397 | T | 30.6 | Very low | 37.4 | Very low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 30 | 120.9 | 131.6 | 138.5 | 0 | 0 | 0 | 0 | 130.1 | F502 N505 Q2013 F2014 Q2015 T2029 | T397-F502 HydrophobicContact CG2-CD1 4.34Å; T397-F502 HydrophobicContact CG2-CE1 3.64Å; T397-N505 WeakPolarHBondContact CB-O 3.48Å; T397-N505 HydrophobicContact CG2-CB 4.34Å; T397-N505 WeakPolarHBondContact CG2-O 3.44Å; T397-N505 WeakPolarHBondContact OG1-CA 3.45Å; T397-N505 WeakPolarHBondContact OG1-CB 3.5Å; T397-N505 VanDerWaalsContact OG1-CG 3.29Å; T397-N505 PolarHBondContact OG1-N 2.81Å; T397-N505 PolarHBondContact OG1-ND2 2.76Å; T397-Q2013 CarbonylContact C-O 3.49Å; T397-Q2013 HydrophobicContact CG2-CB 4.42Å; T397-Q2013 CarbonylContact O-C 3.52Å; T397-Q2013 WeakPolarHBondContact O-CA 3.49Å; T397-Q2013 WeakPolarHBondContact O-CB 3.45Å; T397-Q2013 WeakPolarHBondContact O-CG 3.48Å; T397-Q2013 PolarHBondContact O-NE2 2.96Å; T397-Q2013 VanDerWaalsContact O-O 3.08Å; T397-Q2013 PolarHBondContact OG1-NE2 2.91Å; T397-Q2013 VanDerWaalsContact OG1-NE2 3.13Å; T397-F2014 PolarHBondContact N-O 2.65Å; T397-Q2015 VanDerWaalsContact CA-CG 3.43Å; T397-T2029 HydrophobicContact CG2-CG2 3.49Å; T397-T2029 VanDerWaalsContact CG2-CG2 3.49Å; T397-T2029 WeakPolarHBondContact CG2-OG1 3.43Å | ||
| 398 | D | 28.3 | Very low | 38.6 | Very low | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | 151.4 | 85.1 | 153.7 | -83.1 | -11.8 | 0 | 0 | 0 | 104 | N505 Q1973 P1974 E1975 K2011 Q2013 | D398-N505 PolarHBondContact OD1-ND2 3.06Å; D398-Q1973 CarbonylContact C-O 3.59Å; D398-P1974 CarbonylContact O-C 3.51Å; D398-P1974 WeakPolarHBondContact O-CA 3.31Å; D398-E1975 VanDerWaalsContact C-OE1 3.25Å; D398-E1975 HydrophobicContact CB-CB 3.72Å; D398-E1975 VanDerWaalsContact CB-CD 3.5Å; D398-E1975 HydrophobicContact CB-CG 3.92Å; D398-E1975 WeakPolarHBondContact O-CA 3.49Å; D398-E1975 WeakPolarHBondContact O-CB 3.49Å; D398-E1975 VanDerWaalsContact O-CG 3.24Å; D398-E1975 WeakPolarHBondContact O-CG 3.22Å; D398-E1975 PolarHBondContact O-N 2.84Å; D398-K2011 IonicContact OD1-NZ 2.82Å; D398-K2011 PolarHBondContact OD1-NZ 2.75Å; D398-K2011 IonicContact OD2-NZ 3.26Å; D398-K2011 PolarHBondContact OD2-NZ 3.04Å; D398-Q2013 CarbonylContact C-O 3.56Å; D398-Q2013 VanDerWaalsContact CA-O 3.31Å; D398-Q2013 WeakPolarHBondContact CA-O 3.49Å; D398-Q2013 HydrophobicContact CB-CG 4.37Å; D398-Q2013 WeakPolarHBondContact CB-O 3.47Å; D398-Q2013 PolarHBondContact N-O 3.06Å; D398-Q2013 VanDerWaalsContact O-O 3.05Å; D398-Q2013 PolarHBondContact OD1-NE2 2.92Å; D398-Q2013 WeakPolarHBondContact OD2-CG 3.35Å; D398-Q2013 PolarHBondContact OD2-NE2 3.22Å | ||
| 399 | V | 32 | Very low | 40 | Very low | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | trans | -149 | 102.2 | 151.4 | 152.4 | 0 | 0 | 0 | 0 | 107.7 | K401 Q1972 Q1973 P1974 E1975 | V399-K401 PolarHBondContact O-N 2.97Å; V399-Q1972 HydrophobicContact CB-CG 3.64Å; V399-Q1972 HydrophobicContact CG1-CG 4.41Å; V399-Q1972 WeakPolarHBondContact O-CG 3.04Å; V399-Q1972 PolarHBondContact O-NE2 2.78Å; V399-Q1973 HydrophobicContact CB-CB 4.17Å; V399-Q1973 WeakPolarHBondContact CB-O 3.44Å; V399-Q1973 HydrophobicContact CG1-CB 4.43Å; V399-Q1973 HydrophobicContact CG2-CB 3.74Å; V399-Q1973 WeakPolarHBondContact CG2-O 3.45Å; V399-P1974 VanDerWaalsContact CG2-C 3.48Å; V399-P1974 WeakPolarHBondContact CG2-O 3.36Å; V399-E1975 VanDerWaalsContact CA-OE1 3.28Å; V399-E1975 WeakPolarHBondContact CA-OE1 3.46Å; V399-E1975 HydrophobicContact CG2-CG 4.01Å; V399-E1975 PolarHBondContact N-OE1 2.77Å | ||
| 400 | S | 32.3 | Very low | 41.9 | Very low | 79 Ų | 79 | 50.2 Ų | 50.2 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | trans | -45.2 | 112.5 | 151.7 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | E402 E1975 | S400-E402 PolarHBondContact O-N 2.88Å; S400-E1975 PolarHBondContact N-OE1 2.85Å | ||
| 401 | K | 30.8 | Very low | 44.1 | Very low | 207 Ų | 207 | 50.4 Ų | 50.4 | 90% | 0.9 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 74.5 | -0.2 | 136 | -67.5 | -171.7 | 170.6 | -176.2 | 0 | 122.9 | V399 | V399-K401 PolarHBondContact O-N 2.97Š|
| 402 | E | 30.5 | Very low | 46 | Very low | 164 Ų | 164 | 54 Ų | 54 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -123.9 | 126 | 176.2 | -66.4 | -166.6 | 158.5 | 0 | 0 | 116.2 | S400 | S400-E402 PolarHBondContact O-N 2.88Š|
| 403 | S | 33.5 | Very low | 47.6 | Very low | 100 Ų | 100 | 55.5 Ų | 55.5 | 70% | 0.699 | 29% | 0.289 | S | S | * | . | trans | 70.5 | 40.5 | 157.9 | -168.1 | 0 | 0 | 0 | 0 | 120.2 | K1988 | S403-K1988 PolarHBondContact O-NZ 3.14Š| ||
| 404 | L | 39.1 | Very low | 49.7 | Very low | 59 Ų | 59 | 57.7 Ų | 57.7 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | trans | -63.6 | 141 | 160.9 | -83.9 | 68.4 | 0 | 0 | 0 | 111.2 | K406 F510 S1971 | L404-K406 PolarHBondContact O-N 2.97Å; L404-F510 HydrophobicContact CD2-CD2 3.65Å; L404-F510 HydrophobicContact CD2-CE2 3.79Å; L404-S1971 VanDerWaalsContact CD2-CB 3.42Å | ||
| 405 | N | 42.2 | Very low | 51.9 | Low | 75 Ų | 75 | 58.5 Ų | 58.5 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | trans | -80.1 | 110.3 | 169.6 | -92 | 9 | 0 | 0 | 0 | 108.8 | Q407 E1969 K1988 | N405-Q407 PolarHBondContact O-N 2.87Å; N405-E1969 VanDerWaalsContact CB-OE1 3.31Å; N405-E1969 WeakPolarHBondContact CB-OE1 3.45Å; N405-E1969 PolarHBondContact ND2-OE1 3.1Å; N405-K1988 VanDerWaalsContact CG-CE 3.47Å; N405-K1988 PolarHBondContact OD1-NZ 2.9Å | ||
| 406 | K | 47 | Very low | 54.4 | Low | 107 Ų | 107 | 62.6 Ų | 62.6 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 120.6 | 163.2 | -69.1 | -162.9 | 173 | -159 | 0 | 108.2 | L404 E488 F510 L512 | L404-K406 PolarHBondContact O-N 2.97Å; K406-E488 IonicContact NZ-OE1 3.96Å; K406-E488 IonicContact NZ-OE2 3.8Å; K406-E488 PolarHBondContact NZ-OE2 2.94Å; K406-F510 HydrophobicContact CG-CB 4.48Å; K406-L512 HydrophobicContact CB-CD1 3.73Å; K406-L512 HydrophobicContact CB-CG 3.95Å; K406-L512 HydrophobicContact CD-CD1 3.67Å; K406-L512 HydrophobicContact CD-CD2 3.9Å; K406-L512 HydrophobicContact CD-CG 3.72Å; K406-L512 HydrophobicContact CG-CD1 4.34Å; K406-L512 HydrophobicContact CG-CG 4.39Å |
| 407 | Q | 60.6 | Low | 56.9 | Low | 28 Ų | 28 | 63.6 Ų | 63.6 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.2 | 173.6 | -78 | -163.6 | -85.6 | 0 | 0 | 110.7 | N405 L422 H423 K425 L512 | N405-Q407 PolarHBondContact O-N 2.87Å; Q407-L422 PolarHBondContact NE2-O 3.44Å; Q407-L422 PolarHBondContact OE1-O 3.46Å; Q407-H423 PolarHBondContact OE1-O 2.83Å; Q407-K425 VanDerWaalsContact OE1-CA 3.28Å; Q407-K425 VanDerWaalsContact OE1-CB 3.29Å; Q407-L512 WeakPolarHBondContact O-CA 3.21Å; Q407-L512 WeakPolarHBondContact O-CB 3.42Å; Q407-L512 PolarHBondContact O-N 2.8Å; Q407-L512 VanDerWaalsContact O-O 3.07Å |
| 408 | L | 68.4 | Low | 59.4 | Low | 98 Ų | 98 | 67.2 Ų | 67.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127 | 178 | -153.2 | 78.8 | 0 | 0 | 0 | 110.2 | L512 N514 | L408-L512 CarbonylContact C-O 3.57Å; L408-L512 WeakPolarHBondContact CA-O 3.33Å; L408-L512 HydrophobicContact CD1-CB 3.87Å; L408-L512 HydrophobicContact CD1-CD1 3.97Å; L408-N514 HydrophobicContact CD1-CB 3.86Å; L408-N514 HydrophobicContact CD2-CB 3.96Å; L408-N514 HydrophobicContact CG-CB 3.76Å |
| 409 | L | 78 | Confident | 62 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.1 | -179.3 | 170.8 | 167.2 | 0 | 0 | 0 | 107.3 | V417 L419 H423 M489 I511 L512 I513 N514 | L409-V417 HydrophobicContact CD1-CG1 4.23Å; L409-V417 HydrophobicContact CD2-CB 4.27Å; L409-V417 HydrophobicContact CD2-CG1 3.42Å; L409-V417 VanDerWaalsContact CD2-CG1 3.42Å; L409-V417 HydrophobicContact CD2-CG2 4.05Å; L409-V417 HydrophobicContact CG-CG1 4.16Å; L409-V417 HydrophobicContact CG-CG2 4.12Å; L409-L419 HydrophobicContact CD1-CD2 3.51Å; L409-H423 VanDerWaalsContact CB-CD2 3.45Å; L409-H423 WeakPolarHBondContact CB-CD2 3.48Å; L409-H423 HydrophobicContact CD1-CB 4.12Å; L409-H423 VanDerWaalsContact CD1-CD2 3.49Å; L409-H423 WeakPolarHBondContact CD1-CD2 3.09Å; L409-H423 VanDerWaalsContact CG-CD2 3.4Å; L409-H423 WeakPolarHBondContact CG-CD2 3.35Å; L409-M489 HydrophobicContact CD1-CE 4.22Å; L409-I511 HydrophobicContact CB-CG2 4.04Å; L409-I511 HydrophobicContact CD1-CG2 3.88Å; L409-L512 WeakPolarHBondContact CB-O 3.44Å; L409-L512 PolarHBondContact N-O 2.86Å; L409-I513 HydrophobicContact CD1-CG1 4.33Å; L409-I513 HydrophobicContact CD2-CB 4.13Å; L409-I513 HydrophobicContact CD2-CG1 3.67Å; L409-I513 HydrophobicContact CD2-CG2 3.96Å; L409-I513 HydrophobicContact CG-CG1 4.45Å; L409-I513 CarbonylContact O-C 2.83Å; L409-I513 VanDerWaalsContact O-CA 3.3Å; L409-I513 WeakPolarHBondContact O-CA 3.48Å; L409-N514 PolarHBondContact O-N 3.36Å |
| 410 | N | 81.4 | Confident | 63.7 | Low | 94 Ų | 94 | 67.1 Ų | 67.1 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.5 | -179 | -74.8 | 1.9 | 0 | 0 | 0 | 111.6 | N514 | N410-N514 WeakPolarHBondContact CA-O 3.39Å |
| 411 | V | 84.2 | Confident | 65.6 | Low | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.7 | 173.1 | 73.9 | 0 | 0 | 0 | 0 | 109.6 | V417 Y477 H479 I513 N514 V515 N516 | V411-V417 HydrophobicContact CB-CB 4.49Å; V411-V417 HydrophobicContact CB-CG1 4.21Å; V411-V417 HydrophobicContact CG2-CB 4.2Å; V411-V417 HydrophobicContact CG2-CG1 4.06Å; V411-Y477 HydrophobicContact CG1-CE1 4.31Å; V411-H479 HydrophobicContact CG1-CB 4.14Å; V411-H479 HydrophobicContact CG2-CB 4.33Å; V411-I513 HydrophobicContact CG1-CG2 3.51Å; V411-N514 PolarHBondContact N-O 3.43Å; V411-V515 HydrophobicContact CG1-CG2 3.99Å; V411-V515 CarbonylContact O-C 3.1Å; V411-V515 VanDerWaalsContact O-CA 3.29Å; V411-V515 WeakPolarHBondContact O-CA 3.43Å; V411-N516 PolarHBondContact O-N 2.94Å |
| 412 | D | 80.4 | Confident | 67.4 | Low | 79 Ų | 79 | 57.6 Ų | 57.6 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 165.8 | 172.6 | -51.3 | -41.5 | 0 | 0 | 0 | 110.8 | G414 G415 H479 N516 L518 | D412-G414 PolarHBondContact O-N 2.95Å; D412-G415 WeakPolarHBondContact O-CA 3.29Å; D412-G415 PolarHBondContact O-N 3.08Å; D412-H479 PolarHBondContact O-ND1 2.83Å; D412-N516 PolarHBondContact OD1-ND2 3.26Å; D412-L518 HydrophobicContact CB-CD1 4.3Å |
| 413 | E | 74.4 | Confident | 69.5 | Low | 31 Ų | 31 | 51.1 Ų | 51.1 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 133.8 | 171 | -166.4 | -162.5 | 159.5 | 0 | 0 | 110.9 | G415 E483 N516 K523 | E413-G415 PolarHBondContact O-N 3.42Å; E413-E483 HydrophobicContact CB-CG 4.4Å; E413-E483 HydrophobicContact CG-CG 3.71Å; E413-E483 VanDerWaalsContact OE2-CG 3.29Å; E413-E483 WeakPolarHBondContact OE2-CG 2.95Å; E413-N516 PolarHBondContact N-O 3.14Å; E413-K523 IonicContact OE1-NZ 3.61Å; E413-K523 PolarHBondContact OE1-NZ 2.88Å; E413-K523 VanDerWaalsContact OE1-NZ 3.1Å; E413-K523 IonicContact OE2-NZ 2.84Å |
| 414 | G | 74.3 | Confident | 71.5 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D412 H479 | D412-G414 PolarHBondContact O-N 2.95Å; G414-H479 PolarHBondContact N-ND1 3.2Å |
| 415 | G | 77.7 | Confident | 72.6 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | trans | -72.3 | 165.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D412 E413 H479 | D412-G415 WeakPolarHBondContact O-CA 3.29Å; D412-G415 PolarHBondContact O-N 3.08Å; E413-G415 PolarHBondContact O-N 3.42Å; G415-H479 WeakPolarHBondContact O-CB 3.4Å; G415-H479 PolarHBondContact O-N 2.9Å | ||
| 416 | Q | 86 | Confident | 73.4 | Confident | 86 Ų | 86 | 41.4 Ų | 41.4 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.9 | 172.3 | 53.8 | 154.3 | 80.4 | 0 | 0 | 111 | R459 Y477 V478 | Q416-R459 VanDerWaalsContact OE1-CZ 3.32Å; Q416-Y477 WeakPolarHBondContact CA-O 3.3Å; Q416-V478 HydrophobicContact CB-CG2 4.11Å |
| 417 | V | 83.1 | Confident | 74.1 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 127.9 | -174.4 | 57.4 | 0 | 0 | 0 | 0 | 108.5 | L409 V411 L419 F476 Y477 | L409-V417 HydrophobicContact CD1-CG1 4.23Å; L409-V417 HydrophobicContact CD2-CB 4.27Å; L409-V417 HydrophobicContact CD2-CG1 3.42Å; L409-V417 VanDerWaalsContact CD2-CG1 3.42Å; L409-V417 HydrophobicContact CD2-CG2 4.05Å; L409-V417 HydrophobicContact CG-CG1 4.16Å; L409-V417 HydrophobicContact CG-CG2 4.12Å; V411-V417 HydrophobicContact CB-CB 4.49Å; V411-V417 HydrophobicContact CB-CG1 4.21Å; V411-V417 HydrophobicContact CG2-CB 4.2Å; V411-V417 HydrophobicContact CG2-CG1 4.06Å; V417-L419 PolarHBondContact O-N 3.22Å; V417-F476 CarbonylContact O-C 3.48Å; V417-F476 WeakPolarHBondContact O-CA 3.49Å; V417-F476 WeakPolarHBondContact O-CB 3.45Å; V417-Y477 HydrophobicContact CG1-CD1 3.76Å; V417-Y477 HydrophobicContact CG1-CG 4.34Å; V417-Y477 PolarHBondContact N-O 2.76Å; V417-Y477 PolarHBondContact O-N 2.99Å |
| 418 | F | 83.4 | Confident | 74.1 | Confident | 75 Ų | 75 | 35 Ų | 35 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127 | 178 | -77.4 | -83.8 | 0 | 0 | 0 | 108.7 | D420 H423 H473 F476 | F418-D420 PolarHBondContact O-N 3.08Å; F418-H423 PolarHBondContact O-CE1 3.42Å; F418-H423 VanDerWaalsContact O-CE1 3.25Å; F418-H423 PolarHBondContact O-ND1 2.96Å; F418-H473 HydrophobicContact CD1-CB 4.09Å; F418-H473 AromaticContact CD1-CG 3.86Å; F418-H473 AromaticContact CD1-ND1 3.98Å; F418-H473 WeakPolarHBondContact CD1-O 3.45Å; F418-H473 HydrophobicContact CE1-CB 4.27Å; F418-H473 WeakPolarHBondContact CE1-O 3.39Å; F418-F476 HydrophobicContact CD1-CB 3.87Å; F418-F476 HydrophobicContact CE1-CB 4.13Å; F418-F476 HydrophobicContact CE1-CD1 4.14Å; F418-F476 HydrophobicContact CE1-CG 4.36Å; F418-F476 HydrophobicContact CG-CB 4.31Å |
| 419 | L | 83.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -79.5 | 80 | 173.4 | -94.2 | -176.6 | 0 | 0 | 0 | 105.3 | L409 V417 H423 F424 V450 L470 I475 M489 I511 | L409-L419 HydrophobicContact CD1-CD2 3.51Å; V417-L419 PolarHBondContact O-N 3.22Å; L419-H423 HydrophobicContact CD2-CB 4.04Å; L419-F424 HydrophobicContact CB-CE2 3.84Å; L419-F424 HydrophobicContact CD1-CE2 4.06Å; L419-F424 HydrophobicContact CD1-CZ 4.08Å; L419-F424 HydrophobicContact CD2-CD2 4.26Å; L419-F424 HydrophobicContact CD2-CE2 3.52Å; L419-F424 HydrophobicContact CD2-CZ 4.14Å; L419-F424 HydrophobicContact CG-CE2 3.97Å; L419-F424 HydrophobicContact CG-CZ 4.49Å; L419-V450 HydrophobicContact CD1-CG1 3.96Å; L419-V450 HydrophobicContact CD1-CG2 3.91Å; L419-L470 HydrophobicContact CB-CD2 3.84Å; L419-L470 WeakPolarHBondContact O-CD2 3.21Å; L419-I475 HydrophobicContact CB-CG2 4.41Å; L419-I475 HydrophobicContact CD1-CG2 4.34Å; L419-I475 PolarHBondContact N-O 2.75Å; L419-M489 HydrophobicContact CD1-CE 3.84Å; L419-M489 HydrophobicContact CD1-SD 4.19Å; L419-M489 HydrophobicContact CD2-CE 3.53Å; L419-M489 HydrophobicContact CG-CE 4.22Å; L419-I511 HydrophobicContact CD2-CD1 3.98Å | ||
| 420 | D | 67.7 | Low | 72.2 | Confident | 32 Ų | 32 | 30.2 Ų | 30.2 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | trans | -77.2 | 171.9 | -179.1 | 86.9 | -22.4 | 0 | 0 | 0 | 111.2 | F418 L422 H423 F424 Q2021 F2022 K2023 | F418-D420 PolarHBondContact O-N 3.08Å; D420-L422 VanDerWaalsContact CG-CB 3.47Å; D420-L422 PolarHBondContact O-N 3.41Å; D420-L422 VanDerWaalsContact O-N 3.17Å; D420-L422 WeakPolarHBondContact OD1-CA 3.38Å; D420-L422 WeakPolarHBondContact OD1-CB 3.1Å; D420-L422 PolarHBondContact OD1-N 3.07Å; D420-L422 WeakPolarHBondContact OD2-CB 3.46Å; D420-H423 PolarHBondContact N-ND1 2.89Å; D420-H423 PolarHBondContact O-N 2.92Å; D420-H423 IonicContact OD1-CE1 3.97Å; D420-H423 PolarHBondContact OD1-CE1 3.06Å; D420-H423 IonicContact OD1-CG 3.54Å; D420-H423 PolarHBondContact OD1-N 3.04Å; D420-H423 IonicContact OD1-ND1 3.19Å; D420-H423 PolarHBondContact OD1-ND1 2.95Å; D420-F424 WeakPolarHBondContact O-CD2 2.85Å; D420-Q2021 WeakPolarHBondContact CB-O 3.37Å; D420-F2022 VanDerWaalsContact CA-O 3.29Å; D420-F2022 WeakPolarHBondContact CA-O 3.2Å; D420-K2023 CarbonylContact C-O 3.57Å | ||
| 421 | L | 70.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.7 | 174.9 | -80 | 149.4 | 0 | 0 | 0 | 109.9 | F424 K425 L428 L471 L1931 V2018 F2019 N2020 F2022 K2023 T2024 | L421-F424 CarbonylContact O-C 3.02Å; L421-F424 PolarHBondContact O-N 2.61Å; L421-K425 PolarHBondContact O-N 2.7Å; L421-L428 HydrophobicContact CD2-CD1 4.16Å; L421-L428 WeakPolarHBondContact O-CD1 3.25Å; L421-L471 HydrophobicContact CD1-CD1 3.38Å; L421-L471 HydrophobicContact CD1-CD2 4.49Å; L421-L471 HydrophobicContact CD1-CG 3.7Å; L421-L1931 HydrophobicContact CD1-CD2 4.08Å; L421-L1931 HydrophobicContact CD2-CD2 3.69Å; L421-V2018 WeakPolarHBondContact CD2-O 3.5Å; L421-F2019 VanDerWaalsContact C-CG 3.47Å; L421-F2019 HydrophobicContact CB-CB 3.59Å; L421-F2019 HydrophobicContact CB-CD2 3.4Å; L421-F2019 VanDerWaalsContact CB-CD2 3.4Å; L421-F2019 HydrophobicContact CB-CE2 4.18Å; L421-F2019 HydrophobicContact CB-CG 3.7Å; L421-F2019 HydrophobicContact CD2-CB 4.05Å; L421-F2019 HydrophobicContact CG-CB 4.31Å; L421-F2019 VanDerWaalsContact O-CB 3.31Å; L421-F2019 WeakPolarHBondContact O-CB 3.21Å; L421-F2019 WeakPolarHBondContact O-CD1 3.4Å; L421-F2019 WeakPolarHBondContact O-CG 3.39Å; L421-N2020 VanDerWaalsContact CB-C 3.49Å; L421-N2020 WeakPolarHBondContact CB-O 3.43Å; L421-N2020 VanDerWaalsContact CD1-C 3.46Å; L421-N2020 HydrophobicContact CD1-CB 3.6Å; L421-N2020 WeakPolarHBondContact CD1-OD1 3.39Å; L421-F2022 VanDerWaalsContact CD1-N 3.35Å; L421-K2023 WeakPolarHBondContact CA-O 3.43Å; L421-K2023 VanDerWaalsContact CD1-CA 3.48Å; L421-K2023 HydrophobicContact CD1-CB 3.72Å; L421-K2023 HydrophobicContact CD2-CB 3.68Å; L421-K2023 HydrophobicContact CG-CB 3.9Å; L421-K2023 WeakPolarHBondContact CG-O 3.49Å; L421-K2023 PolarHBondContact N-O 2.89Å; L421-T2024 VanDerWaalsContact CD2-CA 3.48Å |
| 422 | L | 69.2 | Low | 69.1 | Low | 87 Ų | 87 | 25.3 Ų | 25.3 | 46% | 0.455 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -69.3 | -38.8 | -179.3 | -154.4 | 144.8 | 0 | 0 | 0 | 115.9 | Q407 D420 F424 K425 F2019 | Q407-L422 PolarHBondContact NE2-O 3.44Å; Q407-L422 PolarHBondContact OE1-O 3.46Å; D420-L422 VanDerWaalsContact CG-CB 3.47Å; D420-L422 PolarHBondContact O-N 3.41Å; D420-L422 VanDerWaalsContact O-N 3.17Å; D420-L422 WeakPolarHBondContact OD1-CA 3.38Å; D420-L422 WeakPolarHBondContact OD1-CB 3.1Å; D420-L422 PolarHBondContact OD1-N 3.07Å; D420-L422 WeakPolarHBondContact OD2-CB 3.46Å; L422-F424 PolarHBondContact O-N 2.86Å; L422-F424 VanDerWaalsContact O-N 3.15Å; L422-K425 WeakPolarHBondContact O-CB 3.32Å; L422-K425 PolarHBondContact O-N 3.21Å; L422-K425 VanDerWaalsContact O-N 3.12Å; L422-F2019 HydrophobicContact CB-CE1 3.92Å; L422-F2019 HydrophobicContact CB-CE2 3.93Å; L422-F2019 HydrophobicContact CB-CZ 3.45Å; L422-F2019 VanDerWaalsContact CB-CZ 3.45Å; L422-F2019 HydrophobicContact CD1-CE1 4.5Å; L422-F2019 HydrophobicContact CD1-CE2 4.3Å; L422-F2019 HydrophobicContact CD1-CZ 3.61Å; L422-F2019 HydrophobicContact CG-CE1 3.81Å; L422-F2019 HydrophobicContact CG-CE2 4.23Å; L422-F2019 HydrophobicContact CG-CZ 3.34Å |
| 423 | H | 75.5 | Confident | 67.3 | Low | 28 Ų | 28 | 21.6 Ų | 21.6 | 13% | 0.13 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.3 | 173.5 | -62.3 | 102.4 | 0 | 0 | 0 | 113.8 | Q407 L409 F418 L419 D420 I511 | Q407-H423 PolarHBondContact OE1-O 2.83Å; L409-H423 VanDerWaalsContact CB-CD2 3.45Å; L409-H423 WeakPolarHBondContact CB-CD2 3.48Å; L409-H423 HydrophobicContact CD1-CB 4.12Å; L409-H423 VanDerWaalsContact CD1-CD2 3.49Å; L409-H423 WeakPolarHBondContact CD1-CD2 3.09Å; L409-H423 VanDerWaalsContact CG-CD2 3.4Å; L409-H423 WeakPolarHBondContact CG-CD2 3.35Å; F418-H423 PolarHBondContact O-CE1 3.42Å; F418-H423 VanDerWaalsContact O-CE1 3.25Å; F418-H423 PolarHBondContact O-ND1 2.96Å; L419-H423 HydrophobicContact CD2-CB 4.04Å; D420-H423 PolarHBondContact N-ND1 2.89Å; D420-H423 PolarHBondContact O-N 2.92Å; D420-H423 IonicContact OD1-CE1 3.97Å; D420-H423 PolarHBondContact OD1-CE1 3.06Å; D420-H423 IonicContact OD1-CG 3.54Å; D420-H423 PolarHBondContact OD1-N 3.04Å; D420-H423 IonicContact OD1-ND1 3.19Å; D420-H423 PolarHBondContact OD1-ND1 2.95Å; H423-I511 HydrophobicContact CB-CD1 4.11Å; H423-I511 WeakPolarHBondContact O-CD1 3.44Å; H423-I511 WeakPolarHBondContact O-CG1 3.34Å |
| 424 | F | 74.4 | Confident | 66 | Low | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -108.1 | 4.9 | -178.8 | -73.4 | -100.5 | 0 | 0 | 0 | 111.6 | L419 D420 L421 L422 S426 V427 L428 F465 L470 F491 V509 I511 K2017 T2024 D2026 | L419-F424 HydrophobicContact CB-CE2 3.84Å; L419-F424 HydrophobicContact CD1-CE2 4.06Å; L419-F424 HydrophobicContact CD1-CZ 4.08Å; L419-F424 HydrophobicContact CD2-CD2 4.26Å; L419-F424 HydrophobicContact CD2-CE2 3.52Å; L419-F424 HydrophobicContact CD2-CZ 4.14Å; L419-F424 HydrophobicContact CG-CE2 3.97Å; L419-F424 HydrophobicContact CG-CZ 4.49Å; D420-F424 WeakPolarHBondContact O-CD2 2.85Å; L421-F424 CarbonylContact O-C 3.02Å; L421-F424 PolarHBondContact O-N 2.61Å; L422-F424 PolarHBondContact O-N 2.86Å; L422-F424 VanDerWaalsContact O-N 3.15Å; F424-S426 PolarHBondContact O-N 3.22Å; F424-V427 PolarHBondContact O-N 2.97Å; F424-L428 HydrophobicContact CB-CD1 3.22Å; F424-L428 HydrophobicContact CB-CD2 4.21Å; F424-L428 HydrophobicContact CB-CG 3.73Å; F424-L428 WeakPolarHBondContact O-CB 3.42Å; F424-L428 WeakPolarHBondContact O-CD1 3.33Å; F424-L428 WeakPolarHBondContact O-CG 3.33Å; F424-L428 PolarHBondContact O-N 3.26Å; F424-F465 HydrophobicContact CZ-CZ 4.27Å; F424-L470 HydrophobicContact CE2-CD2 3.81Å; F424-L470 HydrophobicContact CZ-CD2 4.25Å; F424-F491 AromaticContact CE1-CD2 3.56Å; F424-F491 HydrophobicContact CE1-CD2 3.56Å; F424-F491 HydrophobicContact CE1-CE1 4.5Å; F424-F491 AromaticContact CE1-CE2 3.48Å; F424-F491 HydrophobicContact CE1-CE2 3.48Å; F424-F491 VanDerWaalsContact CE1-CE2 3.48Å; F424-F491 HydrophobicContact CE1-CG 4.12Å; F424-F491 AromaticContact CE1-CZ 3.99Å; F424-F491 HydrophobicContact CE1-CZ 3.99Å; F424-F491 HydrophobicContact CZ-CD2 4.24Å; F424-F491 HydrophobicContact CZ-CE1 4.48Å; F424-F491 AromaticContact CZ-CE2 3.69Å; F424-F491 HydrophobicContact CZ-CE2 3.69Å; F424-F491 AromaticContact CZ-CZ 3.83Å; F424-F491 HydrophobicContact CZ-CZ 3.83Å; F424-V509 HydrophobicContact CD1-CG1 3.95Å; F424-V509 HydrophobicContact CE1-CG1 4.26Å; F424-I511 HydrophobicContact CD1-CD1 3.58Å; F424-I511 HydrophobicContact CD1-CG1 4.48Å; F424-I511 HydrophobicContact CD2-CD1 3.57Å; F424-I511 HydrophobicContact CE1-CD1 3.52Å; F424-I511 HydrophobicContact CE2-CD1 3.56Å; F424-I511 HydrophobicContact CG-CD1 3.64Å; F424-I511 HydrophobicContact CZ-CD1 3.54Å; F424-K2017 VanDerWaalsContact C-NZ 3.34Å; F424-K2017 VanDerWaalsContact CB-CE 3.44Å; F424-K2017 VanDerWaalsContact CB-NZ 3.26Å; F424-K2017 VanDerWaalsContact CD1-NZ 3.33Å; F424-K2017 VanDerWaalsContact O-CD 3.25Å; F424-K2017 WeakPolarHBondContact O-CD 3.22Å; F424-K2017 WeakPolarHBondContact O-CE 3.4Å; F424-K2017 PolarHBondContact O-NZ 2.95Å; F424-T2024 HydrophobicContact CB-CG2 3.88Å; F424-T2024 WeakPolarHBondContact CB-OG1 3.28Å; F424-T2024 HydrophobicContact CD1-CG2 3.18Å; F424-T2024 HydrophobicContact CD2-CG2 3.84Å; F424-T2024 WeakPolarHBondContact CD2-OG1 3.47Å; F424-T2024 HydrophobicContact CE1-CG2 3.43Å; F424-T2024 VanDerWaalsContact CE1-CG2 3.43Å; F424-T2024 HydrophobicContact CE2-CG2 3.97Å; F424-T2024 WeakPolarHBondContact CE2-OG1 3.39Å; F424-T2024 HydrophobicContact CG-CG2 3.41Å; F424-T2024 VanDerWaalsContact CG-CG2 3.41Å; F424-T2024 WeakPolarHBondContact CG-OG1 2.93Å; F424-T2024 HydrophobicContact CZ-CG2 3.8Å; F424-D2026 WeakPolarHBondContact CD1-OD1 3.26Å |
| 425 | K | 62.9 | Low | 65 | Low | 25 Ų | 25 | 18.6 Ų | 18.6 | 11% | 0.109 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -30.7 | -48.8 | 162.3 | -138.7 | 173.3 | 176.7 | 167.3 | 0 | 109.9 | Q407 L421 L422 V427 L428 I1967 Y1968 E1969 Q1989 F2019 | Q407-K425 VanDerWaalsContact OE1-CA 3.28Å; Q407-K425 VanDerWaalsContact OE1-CB 3.29Å; L421-K425 PolarHBondContact O-N 2.7Å; L422-K425 WeakPolarHBondContact O-CB 3.32Å; L422-K425 PolarHBondContact O-N 3.21Å; L422-K425 VanDerWaalsContact O-N 3.12Å; K425-V427 CarbonylContact O-C 3.32Å; K425-V427 PolarHBondContact O-N 3.2Å; K425-L428 PolarHBondContact O-N 2.65Å; K425-I1967 HydrophobicContact CD-CG2 4.25Å; K425-Y1968 WeakPolarHBondContact CE-O 3.49Å; K425-Y1968 WeakPolarHBondContact CG-O 3.31Å; K425-E1969 HydrophobicContact CB-CB 3.69Å; K425-E1969 HydrophobicContact CD-CB 4.13Å; K425-E1969 HydrophobicContact CG-CB 3.38Å; K425-E1969 CarbonylContact O-C 3.45Å; K425-E1969 WeakPolarHBondContact O-CA 3.03Å; K425-E1969 WeakPolarHBondContact O-CB 3.49Å; K425-E1969 PolarHBondContact O-N 2.82Å; K425-Q1989 HydrophobicContact CD-CG 4.47Å; K425-Q1989 VanDerWaalsContact CE-CD 3.44Å; K425-Q1989 VanDerWaalsContact NZ-CD 3.26Å; K425-F2019 HydrophobicContact CB-CD1 3.69Å; K425-F2019 HydrophobicContact CB-CE1 3.53Å; K425-F2019 HydrophobicContact CD-CD1 4.25Å; K425-F2019 HydrophobicContact CD-CE1 3.49Å; K425-F2019 VanDerWaalsContact CD-CE1 3.49Å; K425-F2019 HydrophobicContact CD-CZ 4.34Å; K425-F2019 HydrophobicContact CG-CD1 3.46Å; K425-F2019 VanDerWaalsContact CG-CD1 3.46Å; K425-F2019 HydrophobicContact CG-CE1 3.18Å; K425-F2019 HydrophobicContact CG-CZ 4.39Å |
| 426 | S | 59.4 | Low | 64.2 | Low | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -32.1 | -29.8 | -176.9 | 104.3 | 0 | 0 | 0 | 0 | 119.5 | F424 E1969 V1970 S1971 K2017 | F424-S426 PolarHBondContact O-N 3.22Å; S426-E1969 CarbonylContact C-O 3.5Å; S426-V1970 CarbonylContact O-C 3.4Å; S426-V1970 VanDerWaalsContact O-CA 3.27Å; S426-V1970 WeakPolarHBondContact O-CA 3.48Å; S426-V1970 PolarHBondContact O-N 2.79Å; S426-V1970 VanDerWaalsContact O-O 3.06Å; S426-S1971 PolarHBondContact O-N 3.39Å; S426-K2017 PolarHBondContact OG-NZ 3.16Å |
| 427 | V | 61.5 | Low | 63.4 | Low | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -135.5 | -8 | 168.2 | -159 | 0 | 0 | 0 | 0 | 108.9 | F424 K425 D429 A430 V509 E1969 S1971 Q2015 L2016 K2017 | F424-V427 PolarHBondContact O-N 2.97Å; K425-V427 CarbonylContact O-C 3.32Å; K425-V427 PolarHBondContact O-N 3.2Å; V427-D429 PolarHBondContact O-N 2.6Å; V427-A430 PolarHBondContact O-N 2.74Å; V427-V509 HydrophobicContact CG2-CG2 4.45Å; V427-E1969 CarbonylContact C-O 3.07Å; V427-E1969 WeakPolarHBondContact CA-O 3.28Å; V427-E1969 PolarHBondContact N-O 2.85Å; V427-E1969 VanDerWaalsContact O-O 3.05Å; V427-S1971 WeakPolarHBondContact CG1-OG 3.37Å; V427-S1971 WeakPolarHBondContact CG2-OG 3.02Å; V427-Q2015 VanDerWaalsContact CG1-O 3.28Å; V427-Q2015 WeakPolarHBondContact CG1-O 3.45Å; V427-L2016 CarbonylContact O-C 3.55Å; V427-L2016 WeakPolarHBondContact O-CA 3.32Å; V427-L2016 WeakPolarHBondContact O-CB 3.48Å; V427-L2016 WeakPolarHBondContact O-CG 3.47Å; V427-K2017 HydrophobicContact CB-CB 3.64Å; V427-K2017 HydrophobicContact CB-CD 3.15Å; V427-K2017 HydrophobicContact CB-CG 3.58Å; V427-K2017 HydrophobicContact CG1-CB 4.18Å; V427-K2017 HydrophobicContact CG1-CD 4.39Å; V427-K2017 HydrophobicContact CG1-CG 4.41Å; V427-K2017 HydrophobicContact CG2-CD 3.58Å; V427-K2017 HydrophobicContact CG2-CG 4.36Å; V427-K2017 WeakPolarHBondContact O-CA 3.39Å; V427-K2017 WeakPolarHBondContact O-CB 3.49Å; V427-K2017 PolarHBondContact O-N 3.24Å |
| 428 | L | 60.6 | Low | 63.3 | Low | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 14.2 | -168.9 | -63.5 | 175.8 | 0 | 0 | 0 | 115.4 | L421 F424 K425 A430 Y1968 E1969 K2017 V2018 F2019 T2024 | L421-L428 HydrophobicContact CD2-CD1 4.16Å; L421-L428 WeakPolarHBondContact O-CD1 3.25Å; F424-L428 HydrophobicContact CB-CD1 3.22Å; F424-L428 HydrophobicContact CB-CD2 4.21Å; F424-L428 HydrophobicContact CB-CG 3.73Å; F424-L428 WeakPolarHBondContact O-CB 3.42Å; F424-L428 WeakPolarHBondContact O-CD1 3.33Å; F424-L428 WeakPolarHBondContact O-CG 3.33Å; F424-L428 PolarHBondContact O-N 3.26Å; K425-L428 PolarHBondContact O-N 2.65Å; L428-A430 WeakPolarHBondContact O-CB 3.47Å; L428-A430 PolarHBondContact O-N 3.11Å; L428-Y1968 WeakPolarHBondContact O-CA 3.16Å; L428-Y1968 VanDerWaalsContact O-CB 3.23Å; L428-Y1968 WeakPolarHBondContact O-CB 3.48Å; L428-Y1968 WeakPolarHBondContact O-CD1 3.18Å; L428-E1969 PolarHBondContact N-O 2.99Å; L428-K2017 HydrophobicContact CB-CB 3.83Å; L428-K2017 HydrophobicContact CB-CD 4.33Å; L428-K2017 HydrophobicContact CB-CG 4.39Å; L428-K2017 HydrophobicContact CD2-CB 3.42Å; L428-K2017 VanDerWaalsContact CD2-CB 3.42Å; L428-K2017 HydrophobicContact CD2-CD 3.91Å; L428-K2017 HydrophobicContact CD2-CG 3.42Å; L428-K2017 VanDerWaalsContact CD2-CG 3.42Å; L428-K2017 HydrophobicContact CG-CB 3.62Å; L428-K2017 HydrophobicContact CG-CD 3.66Å; L428-K2017 HydrophobicContact CG-CG 3.69Å; L428-V2018 VanDerWaalsContact CA-N 3.29Å; L428-V2018 VanDerWaalsContact CB-C 3.5Å; L428-V2018 VanDerWaalsContact CB-N 3.26Å; L428-V2018 VanDerWaalsContact CD2-O 3.26Å; L428-V2018 WeakPolarHBondContact CD2-O 3.17Å; L428-V2018 VanDerWaalsContact O-CA 3.28Å; L428-V2018 WeakPolarHBondContact O-CA 3.45Å; L428-F2019 HydrophobicContact CB-CB 3.6Å; L428-F2019 HydrophobicContact CD1-CB 3.21Å; L428-F2019 HydrophobicContact CD1-CD1 4.47Å; L428-F2019 HydrophobicContact CD1-CG 4.29Å; L428-F2019 HydrophobicContact CG-CB 4.06Å; L428-F2019 PolarHBondContact O-N 2.65Å; L428-T2024 HydrophobicContact CD2-CG2 4.08Å |
| 429 | D | 55.7 | Low | 63.2 | Low | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -30.1 | 149.7 | -93 | 14.6 | 0 | 0 | 0 | 111.2 | V427 Y1968 E1969 V1970 Q1989 F1990 L2016 | V427-D429 PolarHBondContact O-N 2.6Å; D429-Y1968 WeakPolarHBondContact O-CD1 3.46Å; D429-Y1968 WeakPolarHBondContact O-CE1 3.49Å; D429-Y1968 VanDerWaalsContact OD1-CB 3.31Å; D429-Y1968 WeakPolarHBondContact OD1-CB 3.46Å; D429-E1969 VanDerWaalsContact CB-C 3.47Å; D429-E1969 WeakPolarHBondContact CB-O 3.31Å; D429-E1969 PolarHBondContact N-O 3.04Å; D429-E1969 WeakPolarHBondContact OD1-CA 3.49Å; D429-E1969 PolarHBondContact OD1-N 3.26Å; D429-V1970 HydrophobicContact CB-CG2 3.81Å; D429-V1970 WeakPolarHBondContact OD2-CG2 3.31Å; D429-Q1989 VanDerWaalsContact OD1-C 3.31Å; D429-Q1989 WeakPolarHBondContact OD1-CA 3.46Å; D429-Q1989 PolarHBondContact OD1-N 2.63Å; D429-Q1989 PolarHBondContact OD2-N 3.36Å; D429-F1990 HydrophobicContact CB-CD1 3.43Å; D429-F1990 VanDerWaalsContact CB-CD1 3.43Å; D429-F1990 HydrophobicContact CB-CE1 3.03Å; D429-F1990 HydrophobicContact CB-CG 4.35Å; D429-F1990 HydrophobicContact CB-CZ 3.75Å; D429-F1990 WeakPolarHBondContact O-CD2 3.1Å; D429-F1990 VanDerWaalsContact O-CE1 3.28Å; D429-F1990 WeakPolarHBondContact O-CE1 3.23Å; D429-F1990 WeakPolarHBondContact O-CE2 3.48Å; D429-F1990 WeakPolarHBondContact O-CZ 3.41Å; D429-F1990 WeakPolarHBondContact OD1-CD1 3.49Å; D429-F1990 WeakPolarHBondContact OD1-CE1 3.22Å; D429-F1990 PolarHBondContact OD1-N 2.77Å; D429-F1990 WeakPolarHBondContact OD2-CD1 3.46Å; D429-F1990 WeakPolarHBondContact OD2-CE1 3.45Å; D429-L2016 HydrophobicContact CB-CD1 3.32Å; D429-L2016 HydrophobicContact CB-CD2 3.38Å; D429-L2016 HydrophobicContact CB-CG 3.23Å; D429-L2016 WeakPolarHBondContact O-CD1 3.39Å |
| 430 | A | 50.3 | Low | 63.1 | Low | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | 47.5 | 148.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 126.5 | T394 V427 L428 L1955 Y1968 K2017 V2018 | T394-A430 PolarHBondContact OG1-O 2.88Å; V427-A430 PolarHBondContact O-N 2.74Å; L428-A430 WeakPolarHBondContact O-CB 3.47Å; L428-A430 PolarHBondContact O-N 3.11Å; A430-L1955 WeakPolarHBondContact O-CD1 3.48Å; A430-L1955 WeakPolarHBondContact O-CD2 3.26Å; A430-L1955 WeakPolarHBondContact O-CG 3.3Å; A430-Y1968 HydrophobicContact CB-CD1 3.81Å; A430-Y1968 HydrophobicContact CB-CE1 3.75Å; A430-K2017 VanDerWaalsContact CA-N 3.28Å; A430-K2017 WeakPolarHBondContact CA-O 3.49Å; A430-K2017 WeakPolarHBondContact CB-O 3.01Å; A430-V2018 HydrophobicContact CB-CB 3.56Å; A430-V2018 HydrophobicContact CB-CG1 3.86Å; A430-V2018 HydrophobicContact CB-CG2 3.47Å; A430-V2018 VanDerWaalsContact CB-CG2 3.47Å; A430-V2018 VanDerWaalsContact CB-N 3.28Å | ||
| 431 | F | 52.2 | Low | 64 | Low | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | 47.6 | 112.4 | 63.3 | -83 | -8.9 | 0 | 0 | 0 | 109.4 | T394 T395 L437 F502 M1933 K2017 V2018 D2026 Q2028 | T394-F431 HydrophobicContact CG2-CD1 4.1Å; T394-F431 HydrophobicContact CG2-CG 4.4Å; T394-F431 PolarHBondContact OG1-N 2.69Å; T395-F431 HydrophobicContact CG2-CD1 3.73Å; F431-L437 HydrophobicContact CB-CD1 4.11Å; F431-L437 HydrophobicContact CD2-CD1 3.02Å; F431-L437 HydrophobicContact CD2-CG 4.3Å; F431-L437 HydrophobicContact CE2-CB 4.32Å; F431-L437 HydrophobicContact CE2-CD1 3.66Å; F431-L437 HydrophobicContact CE2-CG 4.47Å; F431-L437 HydrophobicContact CG-CD1 4.01Å; F431-F502 AromaticContact CD1-CE2 3.89Å; F431-F502 HydrophobicContact CD1-CE2 3.89Å; F431-F502 AromaticContact CE1-CD2 3.12Å; F431-F502 HydrophobicContact CE1-CD2 3.12Å; F431-F502 AromaticContact CE1-CE2 3Å; F431-F502 HydrophobicContact CE1-CE2 3Å; F431-F502 HydrophobicContact CE1-CZ 4.4Å; F431-F502 AromaticContact CZ-CD2 3.5Å; F431-F502 HydrophobicContact CZ-CD2 3.5Å; F431-F502 AromaticContact CZ-CE2 3.91Å; F431-F502 HydrophobicContact CZ-CE2 3.91Å; F431-F502 HydrophobicContact CZ-CG 4.39Å; F431-M1933 VanDerWaalsContact C-SD 3.52Å; F431-M1933 WeakPolarHBondContact CA-SD 3.33Å; F431-M1933 HydrophobicContact CB-CG 3.6Å; F431-M1933 HydrophobicContact CB-SD 3.71Å; F431-M1933 HydrophobicContact CD1-CE 4.14Å; F431-M1933 HydrophobicContact CD1-SD 3.9Å; F431-M1933 HydrophobicContact CE1-CE 4.48Å; F431-M1933 HydrophobicContact CG-CG 4.07Å; F431-M1933 HydrophobicContact CG-SD 3.99Å; F431-K2017 WeakPolarHBondContact CB-O 3.27Å; F431-K2017 WeakPolarHBondContact CD2-O 3.39Å; F431-V2018 HydrophobicContact CB-CG2 3.95Å; F431-V2018 WeakPolarHBondContact O-CG2 3.44Å; F431-D2026 WeakPolarHBondContact CD2-O 3.17Å; F431-D2026 WeakPolarHBondContact CE2-O 3.27Å; F431-Q2028 HydrophobicContact CB-CB 3.79Å; F431-Q2028 HydrophobicContact CB-CG 3.44Å; F431-Q2028 VanDerWaalsContact CB-CG 3.44Å; F431-Q2028 HydrophobicContact CD1-CB 2.32Å; F431-Q2028 HydrophobicContact CD1-CG 2.31Å; F431-Q2028 HydrophobicContact CD2-CB 2.29Å; F431-Q2028 HydrophobicContact CD2-CG 2.32Å; F431-Q2028 HydrophobicContact CE1-CB 2.3Å; F431-Q2028 HydrophobicContact CE1-CG 2.3Å; F431-Q2028 HydrophobicContact CE2-CB 2.31Å; F431-Q2028 HydrophobicContact CE2-CG 2.29Å; F431-Q2028 HydrophobicContact CG-CB 2.34Å; F431-Q2028 HydrophobicContact CG-CG 2.31Å; F431-Q2028 HydrophobicContact CZ-CB 2.29Å; F431-Q2028 HydrophobicContact CZ-CG 2.29Å | |
| 432 | P | 47.7 | Very low | 64.3 | Low | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -37.6 | -167.5 | 164 | -35.2 | 9.9 | 0 | 0 | 0 | 119.6 | M1933 L1934 Q1935 L1955 M1956 V2018 | P432-M1933 HydrophobicContact CB-CB 4.38Å; P432-M1933 HydrophobicContact CB-CG 3.9Å; P432-M1933 HydrophobicContact CB-SD 3.24Å; P432-M1933 WeakPolarHBondContact CB-SD 3.48Å; P432-M1933 WeakPolarHBondContact CD-SD 3.3Å; P432-M1933 HydrophobicContact CG-CE 4.42Å; P432-M1933 HydrophobicContact CG-CG 4.38Å; P432-M1933 HydrophobicContact CG-SD 3.16Å; P432-M1933 WeakPolarHBondContact CG-SD 3.25Å; P432-M1933 WeakPolarHBondContact O-CA 3.35Å; P432-M1933 WeakPolarHBondContact O-CG 3.39Å; P432-M1933 PolarHBondContact O-N 2.86Å; P432-L1934 VanDerWaalsContact CB-N 3.3Å; P432-Q1935 HydrophobicContact CB-CB 4.25Å; P432-Q1935 VanDerWaalsContact CB-O 3.23Å; P432-Q1935 WeakPolarHBondContact CB-O 3.49Å; P432-Q1935 HydrophobicContact CG-CB 3.9Å; P432-Q1935 WeakPolarHBondContact CG-O 3.4Å; P432-L1955 VanDerWaalsContact CD-C 3.47Å; P432-L1955 VanDerWaalsContact CD-CD1 3.48Å; P432-L1955 HydrophobicContact CG-CB 4.43Å; P432-L1955 HydrophobicContact CG-CD1 4.43Å; P432-L1955 HydrophobicContact CG-CG 4.49Å; P432-M1956 CarbonylContact C-O 3.55Å; P432-M1956 WeakPolarHBondContact CA-O 3.1Å; P432-M1956 WeakPolarHBondContact CB-O 3.4Å; P432-V2018 WeakPolarHBondContact O-CG2 3.49Å | ||
| 433 | V | 44.1 | Very low | 64.8 | Low | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -132 | 25.1 | -171.7 | -151.2 | 0 | 0 | 0 | 0 | 119 | L1931 E1932 M1933 M1956 A1957 I1966 Y1968 V2018 | V433-L1931 HydrophobicContact CG1-CB 4.38Å; V433-L1931 HydrophobicContact CG1-CD1 3.45Å; V433-L1931 VanDerWaalsContact CG1-CD1 3.45Å; V433-L1931 HydrophobicContact CG1-CG 3.54Å; V433-E1932 CarbonylContact C-O 3.58Å; V433-E1932 WeakPolarHBondContact CA-O 3.31Å; V433-E1932 CarbonylContact O-C 3.6Å; V433-E1932 PolarHBondContact O-N 2.96Å; V433-M1933 VanDerWaalsContact N-CA 3.29Å; V433-M1933 VanDerWaalsContact N-N 3.1Å; V433-M1956 PolarHBondContact N-O 2.86Å; V433-A1957 VanDerWaalsContact CB-C 3.5Å; V433-A1957 HydrophobicContact CB-CB 3.41Å; V433-A1957 VanDerWaalsContact CB-CB 3.41Å; V433-A1957 HydrophobicContact CG2-CB 4.3Å; V433-A1957 VanDerWaalsContact O-CB 3.32Å; V433-A1957 WeakPolarHBondContact O-CB 3.31Å; V433-I1966 HydrophobicContact CG1-CG1 4.03Å; V433-I1966 HydrophobicContact CG1-CG2 4.26Å; V433-I1966 HydrophobicContact CG2-CG2 4.26Å; V433-Y1968 WeakPolarHBondContact CG2-OH 3.45Å; V433-V2018 HydrophobicContact CG2-CG1 4.3Å |
| 434 | G | 45.5 | Very low | 65 | Low | 13 Ų | 13 | 19.5 Ų | 19.5 | 13% | 0.134 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -155.7 | 28.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | M1933 L1934 | G434-M1933 CarbonylContact C-O 3.59Å; G434-M1933 VanDerWaalsContact CA-C 3.45Å; G434-L1934 VanDerWaalsContact CA-CB 3.42Å |
| 435 | E | 54.5 | Low | 65.5 | Low | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -108.3 | 159.5 | 150.5 | -35.8 | 176.8 | -173.2 | 0 | 0 | 107.2 | L437 T467 S495 E496 E497 S498 E1932 M1933 Q2028 | E435-L437 HydrophobicContact CB-CD2 3.85Å; E435-L437 HydrophobicContact CG-CD2 4.34Å; E435-L437 WeakPolarHBondContact O-CD2 3.41Å; E435-T467 PolarHBondContact O-OG1 3.05Å; E435-S495 PolarHBondContact OE1-OG 3.25Å; E435-E496 VanDerWaalsContact OE2-C 3.31Å; E435-E496 VanDerWaalsContact OE2-CA 3.3Å; E435-E496 WeakPolarHBondContact OE2-CA 3.38Å; E435-E496 WeakPolarHBondContact OE2-CB 3.33Å; E435-E496 PolarHBondContact OE2-N 2.94Å; E435-E497 HydrophobicContact CB-CB 4.49Å; E435-E497 HydrophobicContact CB-CG 3.82Å; E435-E497 VanDerWaalsContact CD-CA 3.43Å; E435-E497 VanDerWaalsContact CD-CG 3.43Å; E435-E497 HydrophobicContact CG-CB 3.47Å; E435-E497 VanDerWaalsContact CG-CB 3.47Å; E435-E497 HydrophobicContact CG-CG 3.31Å; E435-E497 WeakPolarHBondContact CG-OE2 3.3Å; E435-E497 VanDerWaalsContact OE1-C 3.22Å; E435-E497 WeakPolarHBondContact OE1-CA 3.49Å; E435-E497 WeakPolarHBondContact OE1-CB 3.4Å; E435-E497 PolarHBondContact OE1-N 2.82Å; E435-E497 PolarHBondContact OE2-N 3.11Å; E435-S498 PolarHBondContact OE1-N 3.39Å; E435-S498 VanDerWaalsContact OE1-N 3.08Å; E435-S498 PolarHBondContact OE1-OG 2.82Å; E435-E1932 CarbonylContact O-C 3.56Å; E435-E1932 WeakPolarHBondContact O-CA 3.16Å; E435-E1932 WeakPolarHBondContact O-CB 2.98Å; E435-E1932 WeakPolarHBondContact O-CG 3.24Å; E435-M1933 HydrophobicContact CB-CB 3.64Å; E435-M1933 HydrophobicContact CB-CE 4.49Å; E435-M1933 HydrophobicContact CG-CB 3.69Å; E435-M1933 HydrophobicContact CG-CE 3.39Å; E435-M1933 WeakPolarHBondContact CG-O 3.37Å; E435-M1933 PolarHBondContact N-O 2.84Å; E435-M1933 WeakPolarHBondContact O-CB 3.17Å; E435-M1933 PolarHBondContact O-N 3.35Å; E435-M1933 WeakPolarHBondContact OE1-CE 3.48Å; E435-Q2028 PolarHBondContact OE1-NE2 3.42Å; E435-Q2028 PolarHBondContact OE1-OE1 2.83Å; E435-Q2028 PolarHBondContact OE2-NE2 3Å |
| 436 | N | 60.6 | Low | 66.4 | Low | 28 Ų | 28 | 26.8 Ų | 26.8 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | trans | -85.2 | 136.1 | 167.7 | -86.9 | -91.5 | 0 | 0 | 0 | 111.5 | T466 T467 K468 E1932 | N436-T466 WeakPolarHBondContact OD1-CB 3.19Å; N436-T466 PolarHBondContact OD1-OG1 3.09Å; N436-T467 PolarHBondContact OD1-N 2.82Å; N436-K468 WeakPolarHBondContact ND2-CE 3.3Å; N436-E1932 HydrophobicContact CB-CG 4.16Å; N436-E1932 VanDerWaalsContact CG-CD 3.49Å; N436-E1932 VanDerWaalsContact CG-CG 3.49Å; N436-E1932 VanDerWaalsContact ND2-CG 3.3Å; N436-E1932 WeakPolarHBondContact ND2-CG 3.49Å; N436-E1932 PolarHBondContact ND2-OE1 3.26Å; N436-E1932 PolarHBondContact ND2-OE2 2.58Å; N436-E1932 PolarHBondContact OD1-OE2 2.62Å | ||
| 437 | L | 69.6 | Low | 67.6 | Low | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -119.2 | 143.5 | 179.8 | -22.3 | -176 | 0 | 0 | 0 | 112.2 | F431 E435 C439 T466 T467 I493 M1933 V2018 I2025 Q2028 | F431-L437 HydrophobicContact CB-CD1 4.11Å; F431-L437 HydrophobicContact CD2-CD1 3.02Å; F431-L437 HydrophobicContact CD2-CG 4.3Å; F431-L437 HydrophobicContact CE2-CB 4.32Å; F431-L437 HydrophobicContact CE2-CD1 3.66Å; F431-L437 HydrophobicContact CE2-CG 4.47Å; F431-L437 HydrophobicContact CG-CD1 4.01Å; E435-L437 HydrophobicContact CB-CD2 3.85Å; E435-L437 HydrophobicContact CG-CD2 4.34Å; E435-L437 WeakPolarHBondContact O-CD2 3.41Å; L437-C439 PolarHBondContact O-N 2.82Å; L437-T466 CarbonylContact O-C 3.53Å; L437-T466 WeakPolarHBondContact O-CA 3.26Å; L437-T466 VanDerWaalsContact O-O 3.1Å; L437-T467 PolarHBondContact N-OG1 3.28Å; L437-I493 HydrophobicContact CB-CG2 4.43Å; L437-M1933 HydrophobicContact CD1-CB 4.06Å; L437-M1933 HydrophobicContact CD1-CG 3.71Å; L437-M1933 HydrophobicContact CD2-CB 3.19Å; L437-M1933 HydrophobicContact CD2-CG 3.65Å; L437-M1933 HydrophobicContact CG-CB 4Å; L437-M1933 HydrophobicContact CG-CG 4.2Å; L437-V2018 HydrophobicContact CD1-CG2 4.13Å; L437-I2025 HydrophobicContact CB-CB 3.72Å; L437-I2025 HydrophobicContact CB-CG2 3.63Å; L437-I2025 HydrophobicContact CD1-CB 3.48Å; L437-I2025 VanDerWaalsContact CD1-CB 3.48Å; L437-I2025 HydrophobicContact CD1-CD1 3.44Å; L437-I2025 VanDerWaalsContact CD1-CD1 3.44Å; L437-I2025 HydrophobicContact CD1-CG1 3.77Å; L437-I2025 HydrophobicContact CD1-CG2 4.26Å; L437-I2025 WeakPolarHBondContact CD1-O 3.47Å; L437-I2025 HydrophobicContact CG-CB 3.58Å; L437-I2025 HydrophobicContact CG-CD1 3.58Å; L437-I2025 HydrophobicContact CG-CG1 4.09Å; L437-I2025 HydrophobicContact CG-CG2 3.8Å; L437-I2025 WeakPolarHBondContact O-CG2 3.3Å; L437-Q2028 HydrophobicContact CD1-CG 3.53Å; L437-Q2028 HydrophobicContact CD2-CG 3.93Å; L437-Q2028 HydrophobicContact CG-CG 4.27Å | ||
| 438 | L | 79.8 | Confident | 68.6 | Low | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 86.3 | -157.8 | -172.6 | 59 | 0 | 0 | 0 | 112.9 | T440 Q464 I493 E494 | L438-T440 VanDerWaalsContact C-N 3.31Å; L438-T440 PolarHBondContact O-N 3.4Å; L438-T440 PolarHBondContact O-OG1 3.3Å; L438-Q464 HydrophobicContact CD1-CB 4.29Å; L438-I493 VanDerWaalsContact O-CG2 3.3Å; L438-I493 WeakPolarHBondContact O-CG2 3.49Å; L438-E494 HydrophobicContact CB-CB 4.46Å; L438-E494 PolarHBondContact N-O 2.7Å |
| 439 | C | 80.9 | Confident | 69.8 | Low | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 75.6 | -168.7 | -44.5 | 0 | 0 | 0 | 0 | 114.7 | L437 Q464 F465 T466 I493 T2024 I2025 D2026 | L437-C439 PolarHBondContact O-N 2.82Å; C439-Q464 VanDerWaalsContact O-CA 3.29Å; C439-Q464 WeakPolarHBondContact O-CA 3.47Å; C439-F465 WeakPolarHBondContact CA-O 3.22Å; C439-F465 HydrophobicContact CB-CD2 3.11Å; C439-F465 HydrophobicContact CB-CE2 3.18Å; C439-F465 HydrophobicContact CB-CG 3.94Å; C439-F465 HydrophobicContact CB-CZ 4.09Å; C439-F465 WeakPolarHBondContact CB-O 3.47Å; C439-F465 PolarHBondContact N-O 3.38Å; C439-F465 PolarHBondContact O-N 3.48Å; C439-F465 WeakPolarHBondContact SG-CD2 3.41Å; C439-F465 PolarHBondContact SG-O 3.48Å; C439-T466 PolarHBondContact SG-O 2.88Å; C439-T466 VanDerWaalsContact SG-O 3.4Å; C439-I493 HydrophobicContact CB-CG1 4.27Å; C439-T2024 PolarHBondContact SG-O 3.13Å; C439-I2025 VanDerWaalsContact SG-CA 3.58Å; C439-I2025 VanDerWaalsContact SG-CG2 3.5Å; C439-D2026 HydrophobicContact CB-CB 3.66Å; C439-D2026 WeakPolarHBondContact CB-OD2 3.29Å; C439-D2026 WeakPolarHBondContact SG-CB 3.46Å |
| 440 | T | 82.9 | Confident | 71.3 | Confident | 31 Ų | 31 | 35 Ų | 35 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 145.7 | -178.2 | -48 | 0 | 0 | 0 | 0 | 110.6 | L438 F463 F491 E492 | L438-T440 VanDerWaalsContact C-N 3.31Å; L438-T440 PolarHBondContact O-N 3.4Å; L438-T440 PolarHBondContact O-OG1 3.3Å; T440-F463 CarbonylContact C-O 3.6Å; T440-F463 VanDerWaalsContact CA-O 3.32Å; T440-F463 WeakPolarHBondContact CA-O 3.49Å; T440-F491 CarbonylContact O-C 3.41Å; T440-F491 WeakPolarHBondContact O-CA 3.1Å; T440-F491 VanDerWaalsContact O-CB 3.23Å; T440-F491 WeakPolarHBondContact O-CB 3.49Å; T440-E492 CarbonylContact C-O 3.56Å; T440-E492 VanDerWaalsContact C-O 3.3Å; T440-E492 VanDerWaalsContact CA-O 3.24Å; T440-E492 WeakPolarHBondContact CA-O 3.44Å; T440-E492 WeakPolarHBondContact CB-O 3.47Å; T440-E492 PolarHBondContact N-O 2.75Å; T440-E492 VanDerWaalsContact N-O 3.1Å; T440-E492 PolarHBondContact O-N 2.83Å |
| 441 | M | 85.1 | Confident | 73.1 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.1 | -176.9 | -170.7 | -173.4 | -64.6 | 0 | 0 | 109.7 | S444 V450 V462 F463 F491 | M441-S444 VanDerWaalsContact SD-CA 3.56Å; M441-S444 PolarHBondContact SD-OG 2.96Å; M441-V450 HydrophobicContact CE-CB 3.65Å; M441-V450 HydrophobicContact CE-CG1 4.12Å; M441-V450 HydrophobicContact CE-CG2 3.85Å; M441-V462 WeakPolarHBondContact CE-O 3.27Å; M441-F463 HydrophobicContact CB-CB 4.45Å; M441-F463 WeakPolarHBondContact CB-O 3.4Å; M441-F463 PolarHBondContact N-O 3.02Å; M441-F463 HydrophobicContact SD-CD1 4.01Å; M441-F491 HydrophobicContact CB-CD1 3.88Å; M441-F491 HydrophobicContact CB-CE1 4.03Å; M441-F491 HydrophobicContact CE-CE1 3.83Å; M441-F491 HydrophobicContact CE-CZ 4.37Å; M441-F491 HydrophobicContact CG-CD1 4.01Å; M441-F491 HydrophobicContact CG-CE1 3.85Å; M441-F491 HydrophobicContact CG-CZ 4.5Å |
| 442 | F | 78.3 | Confident | 74.7 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 40% | 0.404 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -47.4 | -175 | -168.7 | -103.5 | 0 | 0 | 0 | 111.7 | E490 E492 H508 | F442-E490 HydrophobicContact CB-CB 4.4Å; F442-E490 HydrophobicContact CB-CG 4.43Å; F442-E490 VanDerWaalsContact CD1-CD 3.47Å; F442-E490 HydrophobicContact CD1-CG 4.33Å; F442-E490 WeakPolarHBondContact CD1-OE1 3.33Å; F442-E490 PolarHBondContact N-O 2.92Å; F442-E492 HydrophobicContact CB-CB 3.76Å; F442-E492 HydrophobicContact CD2-CB 3.56Å; F442-E492 HydrophobicContact CD2-CG 4.28Å; F442-E492 VanDerWaalsContact CD2-OE2 3.27Å; F442-E492 WeakPolarHBondContact CD2-OE2 3.48Å; F442-E492 HydrophobicContact CE2-CB 4.49Å; F442-E492 HydrophobicContact CG-CB 3.99Å; F442-H508 AromaticContact CD1-CE1 3.89Å; F442-H508 AromaticContact CD1-ND1 3.7Å; F442-H508 AromaticContact CD2-CE1 3.86Å; F442-H508 AromaticContact CE1-CE1 3.68Å; F442-H508 AromaticContact CE1-ND1 3.81Å; F442-H508 AromaticContact CE2-CE1 3.66Å; F442-H508 AromaticContact CG-CE1 3.96Å; F442-H508 AromaticContact CG-ND1 3.93Å; F442-H508 AromaticContact CZ-CE1 3.56Å |
| 443 | N | 79.8 | Confident | 76.1 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.1 | 167 | -71.3 | -56.1 | 0 | 0 | 0 | 108.9 | E490 | N443-E490 HydrophobicContact CB-CB 3.73Å; N443-E490 PolarHBondContact N-O 3.37Å; N443-E490 PolarHBondContact ND2-OE2 3.38Å; N443-E490 PolarHBondContact O-N 2.74Å |
| 444 | S | 79.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 41% | 0.413 | 22% | 0.216 | S | C | . | . | trans | -67.8 | 150.2 | 174 | -57 | 0 | 0 | 0 | 0 | 111.4 | M441 | M441-S444 VanDerWaalsContact SD-CA 3.56Å; M441-S444 PolarHBondContact SD-OG 2.96Å | ||
| 445 | P | 85.7 | Confident | 77.7 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -56.4 | 145.8 | 168.9 | 18.4 | -25.6 | 0 | 0 | 0 | 111.9 | G448 V450 Y477 D487 E488 M489 | P445-G448 WeakPolarHBondContact CG-O 3.24Å; P445-V450 HydrophobicContact CG-CG2 4.13Å; P445-Y477 HydrophobicContact CB-CD2 4.33Å; P445-Y477 HydrophobicContact CB-CE2 3.68Å; P445-Y477 HydrophobicContact CG-CD2 4.11Å; P445-Y477 HydrophobicContact CG-CE2 3.9Å; P445-D487 WeakPolarHBondContact CB-OD2 3.35Å; P445-E488 WeakPolarHBondContact CA-O 3.45Å; P445-M489 HydrophobicContact CB-CB 4.07Å; P445-M489 HydrophobicContact CG-CB 4.17Å; P445-M489 HydrophobicContact CG-SD 4.12Å | ||
| 446 | E | 81.5 | Confident | 77.4 | Confident | 165 Ų | 165 | 48.8 Ų | 48.8 | 77% | 0.771 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -82.5 | -35.9 | -179.7 | -65 | -160.1 | 139.3 | 0 | 0 | 111.6 | D487 | E446-D487 PolarHBondContact N-OD1 2.79Š|
| 447 | H | 83.1 | Confident | 77.3 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 27% | 0.269 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -119 | 20.1 | -169.6 | -70.6 | -85.7 | 0 | 0 | 0 | 114.4 | Y477 H479 D480 S482 T484 D487 | H447-Y477 PolarHBondContact O-OH 2.87Å; H447-H479 PolarHBondContact O-CD2 3.45Å; H447-D480 PolarHBondContact O-N 2.82Å; H447-S482 PolarHBondContact ND1-OG 2.83Å; H447-T484 HydrophobicContact CB-CG2 3.98Å; H447-T484 VanDerWaalsContact CD2-CG2 3.41Å; H447-T484 WeakPolarHBondContact CD2-CG2 3.36Å; H447-T484 WeakPolarHBondContact ND1-CG2 3.33Å; H447-D487 HydrophobicContact CB-CB 4.11Å; H447-D487 PolarHBondContact N-OD1 2.87Å; H447-D487 PolarHBondContact N-OD2 2.84Å; H447-D487 VanDerWaalsContact N-OD2 3.11Å |
| 448 | G | 82.1 | Confident | 76.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -178.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P445 Y477 V478 D487 | P445-G448 WeakPolarHBondContact CG-O 3.24Å; G448-Y477 PolarHBondContact N-OH 2.74Å; G448-V478 CarbonylContact C-O 3.54Å; G448-V478 WeakPolarHBondContact CA-O 3.21Å; G448-D487 PolarHBondContact N-OD2 3.47Å |
| 449 | K | 86.2 | Confident | 76.5 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.4 | 175.1 | -59.2 | -169.4 | -171.9 | -167.8 | 0 | 112 | Y451 V478 K1753 | K449-Y451 HydrophobicContact CB-CE2 4.46Å; K449-Y451 WeakPolarHBondContact O-CD2 3.49Å; K449-V478 PolarHBondContact N-O 3.23Å; K449-V478 PolarHBondContact O-N 2.79Å; K449-K1753 HydrophobicContact CD-CD 4.27Å |
| 450 | V | 87.6 | Confident | 76.2 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.1 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | L419 M441 P445 V462 F465 I475 Y477 M489 F491 | L419-V450 HydrophobicContact CD1-CG1 3.96Å; L419-V450 HydrophobicContact CD1-CG2 3.91Å; M441-V450 HydrophobicContact CE-CB 3.65Å; M441-V450 HydrophobicContact CE-CG1 4.12Å; M441-V450 HydrophobicContact CE-CG2 3.85Å; P445-V450 HydrophobicContact CG-CG2 4.13Å; V450-V462 HydrophobicContact CG1-CG2 4.43Å; V450-V462 PolarHBondContact O-N 2.65Å; V450-F465 HydrophobicContact CG1-CE1 4.01Å; V450-I475 HydrophobicContact CG1-CG2 3.09Å; V450-Y477 HydrophobicContact CG2-CD2 4.45Å; V450-M489 HydrophobicContact CG2-SD 3.84Å; V450-F491 HydrophobicContact CG2-CZ 4.43Å |
| 451 | Y | 88.3 | Confident | 76.1 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.3 | -173.9 | -77.7 | -93.3 | 0 | 0 | 0 | 112 | K449 R459 I460 P461 R474 I475 F476 V478 K1753 | K449-Y451 HydrophobicContact CB-CE2 4.46Å; K449-Y451 WeakPolarHBondContact O-CD2 3.49Å; Y451-R459 HydrophobicContact CD1-CB 3.57Å; Y451-R459 WeakPolarHBondContact CD1-O 3.49Å; Y451-R459 HydrophobicContact CE1-CB 3.79Å; Y451-R459 HydrophobicContact CG-CB 4.29Å; Y451-I460 CarbonylContact C-O 2.72Å; Y451-P461 HydrophobicContact CD1-CB 4.37Å; Y451-R474 VanDerWaalsContact O-O 3.07Å; Y451-I475 WeakPolarHBondContact O-CA 3.36Å; Y451-F476 VanDerWaalsContact CB-CZ 3.43Å; Y451-F476 HydrophobicContact CD2-CE2 4.14Å; Y451-F476 HydrophobicContact CG-CE2 4.16Å; Y451-F476 HydrophobicContact CG-CZ 4.17Å; Y451-F476 PolarHBondContact N-O 3.37Å; Y451-F476 WeakPolarHBondContact O-CD1 3.05Å; Y451-F476 WeakPolarHBondContact O-CE1 3.46Å; Y451-F476 PolarHBondContact O-N 3.2Å; Y451-F476 VanDerWaalsContact O-N 3.13Å; Y451-V478 HydrophobicContact CD2-CB 4.14Å; Y451-V478 HydrophobicContact CD2-CG2 3.62Å; Y451-V478 HydrophobicContact CE2-CB 3.94Å; Y451-V478 HydrophobicContact CE2-CG2 3.71Å; Y451-K1753 WeakPolarHBondContact OH-CE 3.41Å; Y451-K1753 PolarHBondContact OH-NZ 2.96Å |
| 452 | K | 85.8 | Confident | 75.9 | Confident | 44 Ų | 44 | 59 Ų | 59 | 19% | 0.191 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.8 | 169 | -173.5 | 166.5 | 170.2 | 169 | 0 | 111.6 | H454 I460 V462 D469 R474 I475 | K452-H454 PolarHBondContact O-N 3.18Å; K452-H454 VanDerWaalsContact O-N 3.15Å; K452-I460 HydrophobicContact CB-CB 4.47Å; K452-I460 WeakPolarHBondContact CB-O 3.23Å; K452-I460 PolarHBondContact N-O 3.13Å; K452-I460 PolarHBondContact O-N 3.32Å; K452-V462 HydrophobicContact CB-CB 4.37Å; K452-V462 HydrophobicContact CB-CG1 3.55Å; K452-V462 HydrophobicContact CB-CG2 3.87Å; K452-V462 HydrophobicContact CD-CG1 3.82Å; K452-V462 HydrophobicContact CG-CG1 4.35Å; K452-D469 HydrophobicContact CD-CB 4.22Å; K452-D469 WeakPolarHBondContact CE-OD1 3.43Å; K452-D469 WeakPolarHBondContact CE-OD2 3.42Å; K452-D469 IonicContact NZ-OD1 2.74Å; K452-D469 PolarHBondContact NZ-OD1 2.94Å; K452-D469 IonicContact NZ-OD2 2.76Å; K452-D469 PolarHBondContact NZ-OD2 3.47Å; K452-R474 CarbonylContact C-O 3.57Å; K452-R474 VanDerWaalsContact CA-O 3.26Å; K452-R474 WeakPolarHBondContact CA-O 3.21Å; K452-R474 HydrophobicContact CG-CB 4Å; K452-I475 HydrophobicContact CB-CD1 3.21Å; K452-I475 HydrophobicContact CD-CD1 3.99Å; K452-I475 HydrophobicContact CG-CD1 3.48Å; K452-I475 VanDerWaalsContact CG-CD1 3.48Å |
| 453 | L | 76.5 | Confident | 76.1 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 104.2 | 167.7 | -159.8 | 77.1 | 0 | 0 | 0 | 108.7 | R474 F476 | L453-R474 HydrophobicContact CB-CB 4.16Å; L453-R474 HydrophobicContact CB-CG 4.44Å; L453-R474 WeakPolarHBondContact CB-O 3.49Å; L453-R474 PolarHBondContact N-O 3.26Å; L453-R474 VanDerWaalsContact O-CB 3.3Å; L453-R474 WeakPolarHBondContact O-CB 3.36Å; L453-R474 WeakPolarHBondContact O-CD 3.21Å; L453-R474 WeakPolarHBondContact O-CG 3.34Å; L453-F476 HydrophobicContact CB-CE1 4.01Å; L453-F476 HydrophobicContact CD1-CE1 4.18Å |
| 454 | H | 69.8 | Low | 76.3 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 39% | 0.394 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 160.3 | 172.7 | -165.1 | 49.2 | 0 | 0 | 0 | 110.6 | K452 G456 G457 I458 I460 | K452-H454 PolarHBondContact O-N 3.18Å; K452-H454 VanDerWaalsContact O-N 3.15Å; H454-G456 PolarHBondContact O-N 2.85Å; H454-G457 PolarHBondContact O-N 3.38Å; H454-I458 HydrophobicContact CB-CB 4.34Å; H454-I458 PolarHBondContact N-O 3.46Å; H454-I458 PolarHBondContact O-N 2.8Å; H454-I460 HydrophobicContact CB-CD1 3.62Å; H454-I460 HydrophobicContact CB-CG1 4.09Å |
| 455 | D | 54.6 | Low | 76.5 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 123.4 | 177.9 | -59 | 20.5 | 0 | 0 | 0 | 110 | R474 | D455-R474 IonicContact OD1-NH1 3.72Å; D455-R474 PolarHBondContact OD1-NH1 3.06Å |
| 456 | G | 48 | Very low | 76.3 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 67% | 0.67 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | 16 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H454 I458 | H454-G456 PolarHBondContact O-N 2.85Å; G456-I458 VanDerWaalsContact C-N 3.31Å; G456-I458 PolarHBondContact O-N 2.76Å |
| 457 | G | 57.5 | Low | 75.8 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 3.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H454 R459 | H454-G457 PolarHBondContact O-N 3.38Å; G457-R459 PolarHBondContact O-N 3.01Å |
| 458 | I | 57.9 | Low | 75.3 | Confident | 104 Ų | 104 | 48.6 Ų | 48.6 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 117.2 | -176.1 | -58.7 | 175.2 | 0 | 0 | 0 | 109.8 | H454 G456 I460 | H454-I458 HydrophobicContact CB-CB 4.34Å; H454-I458 PolarHBondContact N-O 3.46Å; H454-I458 PolarHBondContact O-N 2.8Å; G456-I458 VanDerWaalsContact C-N 3.31Å; G456-I458 PolarHBondContact O-N 2.76Å; I458-I460 HydrophobicContact CG2-CG1 4.01Å; I458-I460 PolarHBondContact O-N 2.77Å |
| 459 | R | 76.1 | Confident | 75.3 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 94.1 | 179.3 | -52.5 | -171.7 | 173.2 | -152.3 | -7.4 | 111 | Q416 Y451 G457 F476 | Q416-R459 VanDerWaalsContact OE1-CZ 3.32Å; Y451-R459 HydrophobicContact CD1-CB 3.57Å; Y451-R459 WeakPolarHBondContact CD1-O 3.49Å; Y451-R459 HydrophobicContact CE1-CB 3.79Å; Y451-R459 HydrophobicContact CG-CB 4.29Å; G457-R459 PolarHBondContact O-N 3.01Å; R459-F476 HydrophobicContact CB-CZ 4.14Å; R459-F476 HydrophobicContact CG-CZ 3.8Å |
| 460 | I | 74.6 | Confident | 74.8 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.7 | 179.3 | -55.9 | -176.5 | 0 | 0 | 0 | 110.1 | Y451 K452 H454 I458 V462 | Y451-I460 CarbonylContact C-O 2.72Å; K452-I460 HydrophobicContact CB-CB 4.47Å; K452-I460 WeakPolarHBondContact CB-O 3.23Å; K452-I460 PolarHBondContact N-O 3.13Å; K452-I460 PolarHBondContact O-N 3.32Å; H454-I460 HydrophobicContact CB-CD1 3.62Å; H454-I460 HydrophobicContact CB-CG1 4.09Å; I458-I460 HydrophobicContact CG2-CG1 4.01Å; I458-I460 PolarHBondContact O-N 2.77Å; I460-V462 HydrophobicContact CG2-CG1 4.45Å; I460-V462 PolarHBondContact O-N 3.4Å |
| 461 | P | 81.1 | Confident | 73.9 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 133.8 | 173.7 | 27.4 | -34 | 0 | 0 | 0 | 110.8 | Y451 K1754 | Y451-P461 HydrophobicContact CD1-CB 4.37Å; P461-K1754 HydrophobicContact CG-CD 4.41Å |
| 462 | V | 80.4 | Confident | 73 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | trans | -131.1 | 144.1 | -173.7 | -75.1 | 0 | 0 | 0 | 0 | 113 | M441 V450 K452 I460 F465 I475 | M441-V462 WeakPolarHBondContact CE-O 3.27Å; V450-V462 HydrophobicContact CG1-CG2 4.43Å; V450-V462 PolarHBondContact O-N 2.65Å; K452-V462 HydrophobicContact CB-CB 4.37Å; K452-V462 HydrophobicContact CB-CG1 3.55Å; K452-V462 HydrophobicContact CB-CG2 3.87Å; K452-V462 HydrophobicContact CD-CG1 3.82Å; K452-V462 HydrophobicContact CG-CG1 4.35Å; I460-V462 HydrophobicContact CG2-CG1 4.45Å; I460-V462 PolarHBondContact O-N 3.4Å; V462-F465 HydrophobicContact CG2-CD1 3.83Å; V462-F465 HydrophobicContact CG2-CE1 4.38Å; V462-I475 HydrophobicContact CG2-CD1 3.81Å | ||
| 463 | F | 82.4 | Confident | 72.4 | Confident | 106 Ų | 106 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -106.5 | -5 | 168 | -56.4 | -76.7 | 0 | 0 | 0 | 112.4 | T440 M441 | T440-F463 CarbonylContact C-O 3.6Å; T440-F463 VanDerWaalsContact CA-O 3.32Å; T440-F463 WeakPolarHBondContact CA-O 3.49Å; M441-F463 HydrophobicContact CB-CB 4.45Å; M441-F463 WeakPolarHBondContact CB-O 3.4Å; M441-F463 PolarHBondContact N-O 3.02Å; M441-F463 HydrophobicContact SD-CD1 4.01Å |
| 464 | Q | 82.8 | Confident | 72.6 | Confident | 72 Ų | 72 | 42.4 Ų | 42.4 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -147.5 | 143.5 | 178.7 | 48.4 | 170.4 | -59.8 | 0 | 0 | 111 | L438 C439 E2357 | L438-Q464 HydrophobicContact CD1-CB 4.29Å; C439-Q464 VanDerWaalsContact O-CA 3.29Å; C439-Q464 WeakPolarHBondContact O-CA 3.47Å; Q464-E2357 PolarHBondContact NE2-OE1 3.48Å | ||
| 465 | F | 85.4 | Confident | 73.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | trans | -147.7 | 145.3 | 175.2 | 32 | -95.9 | 0 | 0 | 0 | 110 | F424 C439 V450 V462 D469 L470 I475 F491 T2024 | F424-F465 HydrophobicContact CZ-CZ 4.27Å; C439-F465 WeakPolarHBondContact CA-O 3.22Å; C439-F465 HydrophobicContact CB-CD2 3.11Å; C439-F465 HydrophobicContact CB-CE2 3.18Å; C439-F465 HydrophobicContact CB-CG 3.94Å; C439-F465 HydrophobicContact CB-CZ 4.09Å; C439-F465 WeakPolarHBondContact CB-O 3.47Å; C439-F465 PolarHBondContact N-O 3.38Å; C439-F465 PolarHBondContact O-N 3.48Å; C439-F465 WeakPolarHBondContact SG-CD2 3.41Å; C439-F465 PolarHBondContact SG-O 3.48Å; V450-F465 HydrophobicContact CG1-CE1 4.01Å; V462-F465 HydrophobicContact CG2-CD1 3.83Å; V462-F465 HydrophobicContact CG2-CE1 4.38Å; F465-D469 WeakPolarHBondContact CA-OD2 3.43Å; F465-D469 HydrophobicContact CB-CB 3.97Å; F465-L470 HydrophobicContact CD2-CD1 3.12Å; F465-L470 HydrophobicContact CD2-CD2 4.43Å; F465-L470 HydrophobicContact CD2-CG 3.93Å; F465-L470 HydrophobicContact CE2-CD1 3.42Å; F465-L470 VanDerWaalsContact CE2-CD1 3.42Å; F465-L470 HydrophobicContact CE2-CD2 4.04Å; F465-L470 HydrophobicContact CE2-CG 4.05Å; F465-L470 HydrophobicContact CG-CD1 3.98Å; F465-L470 HydrophobicContact CG-CG 4.48Å; F465-L470 HydrophobicContact CZ-CD1 4.41Å; F465-L470 HydrophobicContact CZ-CD2 4.39Å; F465-I475 HydrophobicContact CB-CD1 4.21Å; F465-I475 HydrophobicContact CB-CG1 4.08Å; F465-I475 HydrophobicContact CD1-CD1 4.16Å; F465-I475 HydrophobicContact CD1-CG1 3.82Å; F465-I475 HydrophobicContact CD1-CG2 4.28Å; F465-I475 HydrophobicContact CD2-CG1 4.41Å; F465-I475 HydrophobicContact CE1-CG1 4.34Å; F465-I475 HydrophobicContact CE1-CG2 4.03Å; F465-I475 HydrophobicContact CG-CD1 4.35Å; F465-I475 HydrophobicContact CG-CG1 3.86Å; F465-F491 HydrophobicContact CE1-CD1 4.5Å; F465-F491 AromaticContact CE1-CE1 3.86Å; F465-F491 HydrophobicContact CE1-CE1 3.86Å; F465-F491 AromaticContact CZ-CD1 3.89Å; F465-F491 HydrophobicContact CZ-CD1 3.89Å; F465-F491 AromaticContact CZ-CE1 3.44Å; F465-F491 HydrophobicContact CZ-CE1 3.44Å; F465-F491 VanDerWaalsContact CZ-CE1 3.44Å; F465-F491 HydrophobicContact CZ-CZ 4.14Å; F465-T2024 HydrophobicContact CE2-CG2 4.02Å | ||
| 466 | T | 79.8 | Confident | 75.1 | Confident | 41 Ų | 41 | 35 Ų | 35 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | trans | -83.4 | -128.8 | -171 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | N436 L437 C439 K468 D469 K2023 I2025 | N436-T466 WeakPolarHBondContact OD1-CB 3.19Å; N436-T466 PolarHBondContact OD1-OG1 3.09Å; L437-T466 CarbonylContact O-C 3.53Å; L437-T466 WeakPolarHBondContact O-CA 3.26Å; L437-T466 VanDerWaalsContact O-O 3.1Å; C439-T466 PolarHBondContact SG-O 2.88Å; C439-T466 VanDerWaalsContact SG-O 3.4Å; T466-K468 PolarHBondContact OG1-N 2.75Å; T466-K468 VanDerWaalsContact OG1-N 3.08Å; T466-D469 PolarHBondContact N-OD2 2.93Å; T466-K2023 WeakPolarHBondContact O-CE 3.43Å; T466-K2023 PolarHBondContact O-NZ 3Å; T466-K2023 PolarHBondContact OG1-NZ 2.96Å; T466-I2025 VanDerWaalsContact C-CG2 3.43Å; T466-I2025 WeakPolarHBondContact O-CG2 3.45Å | ||
| 467 | T | 72.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -112.6 | 10.5 | 150 | -8.5 | 0 | 0 | 0 | 0 | 119.5 | E435 N436 L437 L1931 K2023 I2025 | E435-T467 PolarHBondContact O-OG1 3.05Å; N436-T467 PolarHBondContact OD1-N 2.82Å; L437-T467 PolarHBondContact N-OG1 3.28Å; T467-L1931 CarbonylContact C-O 3.59Å; T467-L1931 WeakPolarHBondContact CB-O 3.26Å; T467-L1931 HydrophobicContact CG2-CB 3.32Å; T467-L1931 HydrophobicContact CG2-CD2 4.24Å; T467-L1931 HydrophobicContact CG2-CG 4.33Å; T467-L1931 WeakPolarHBondContact CG2-O 3.34Å; T467-L1931 VanDerWaalsContact O-O 3.06Å; T467-K2023 VanDerWaalsContact CA-CE 3.42Å; T467-K2023 HydrophobicContact CG2-CD 3.87Å; T467-K2023 HydrophobicContact CG2-CG 4.38Å; T467-K2023 VanDerWaalsContact N-NZ 3.1Å; T467-K2023 WeakPolarHBondContact O-CD 3.48Å; T467-I2025 VanDerWaalsContact CB-CG2 3.47Å; T467-I2025 HydrophobicContact CG2-CB 3.81Å; T467-I2025 HydrophobicContact CG2-CD1 3.11Å; T467-I2025 HydrophobicContact CG2-CG1 3.34Å; T467-I2025 HydrophobicContact CG2-CG2 3.39Å; T467-I2025 WeakPolarHBondContact OG1-CD1 3.11Å; T467-I2025 WeakPolarHBondContact OG1-CG2 3.49Å |
| 468 | K | 72.5 | Confident | 78.5 | Confident | 30 Ų | 30 | 32 Ų | 32 | 13% | 0.13 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -81.6 | -65.1 | 167.3 | -66 | -173.6 | -157 | -66.6 | 0 | 112.8 | Y172 N436 T466 L471 Y472 E1932 K2023 | Y172-K468 HydrophobicContact CE2-CD 4.25Å; Y172-K468 HydrophobicContact CE2-CG 4.1Å; N436-K468 WeakPolarHBondContact ND2-CE 3.3Å; T466-K468 PolarHBondContact OG1-N 2.75Å; T466-K468 VanDerWaalsContact OG1-N 3.08Å; K468-L471 WeakPolarHBondContact O-CA 3.48Å; K468-L471 WeakPolarHBondContact O-CB 3.39Å; K468-L471 PolarHBondContact O-N 3.13Å; K468-Y472 VanDerWaalsContact C-CG 3.5Å; K468-Y472 HydrophobicContact CB-CD2 3.7Å; K468-Y472 HydrophobicContact CB-CE2 3.36Å; K468-Y472 HydrophobicContact CD-CE2 4.35Å; K468-Y472 HydrophobicContact CG-CE2 3.96Å; K468-Y472 WeakPolarHBondContact O-CB 3.27Å; K468-Y472 WeakPolarHBondContact O-CD1 3.4Å; K468-Y472 WeakPolarHBondContact O-CD2 3.31Å; K468-Y472 PolarHBondContact O-N 3.1Å; K468-E1932 VanDerWaalsContact CE-OE2 3.23Å; K468-E1932 WeakPolarHBondContact CE-OE2 3.47Å; K468-E1932 WeakPolarHBondContact CG-OE2 3.31Å; K468-E1932 IonicContact NZ-OE1 2.74Å; K468-E1932 PolarHBondContact NZ-OE1 3.16Å; K468-E1932 IonicContact NZ-OE2 2.6Å; K468-E1932 PolarHBondContact NZ-OE2 3.4Å; K468-K2023 VanDerWaalsContact C-CD 3.49Å; K468-K2023 VanDerWaalsContact C-NZ 3.35Å; K468-K2023 WeakPolarHBondContact O-CD 3.33Å |
| 469 | D | 80.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -28.4 | -91.8 | 177.7 | -41.5 | -39.5 | 0 | 0 | 0 | 123.6 | K452 F465 T466 L471 Y472 R474 I475 K2023 | K452-D469 HydrophobicContact CD-CB 4.22Å; K452-D469 WeakPolarHBondContact CE-OD1 3.43Å; K452-D469 WeakPolarHBondContact CE-OD2 3.42Å; K452-D469 IonicContact NZ-OD1 2.74Å; K452-D469 PolarHBondContact NZ-OD1 2.94Å; K452-D469 IonicContact NZ-OD2 2.76Å; K452-D469 PolarHBondContact NZ-OD2 3.47Å; F465-D469 WeakPolarHBondContact CA-OD2 3.43Å; F465-D469 HydrophobicContact CB-CB 3.97Å; T466-D469 PolarHBondContact N-OD2 2.93Å; D469-L471 PolarHBondContact O-N 3.44Å; D469-Y472 CarbonylContact O-C 3.53Å; D469-Y472 VanDerWaalsContact O-CA 3.29Å; D469-Y472 WeakPolarHBondContact O-CA 3.28Å; D469-Y472 WeakPolarHBondContact O-CB 3.44Å; D469-Y472 PolarHBondContact O-N 3.44Å; D469-R474 HydrophobicContact CB-CB 4.39Å; D469-R474 WeakPolarHBondContact O-CA 3.27Å; D469-R474 WeakPolarHBondContact O-CB 3.38Å; D469-R474 WeakPolarHBondContact O-CG 3.27Å; D469-R474 PolarHBondContact O-N 3.45Å; D469-R474 IonicContact OD1-CZ 3.87Å; D469-R474 IonicContact OD1-NE 3.84Å; D469-R474 PolarHBondContact OD1-NE 3.05Å; D469-R474 IonicContact OD1-NH2 3.95Å; D469-R474 PolarHBondContact OD1-NH2 2.84Å; D469-I475 HydrophobicContact CB-CD1 4.24Å; D469-I475 HydrophobicContact CB-CG1 4.44Å; D469-K2023 VanDerWaalsContact CA-NZ 3.3Å; D469-K2023 IonicContact OD2-NZ 2.68Å |
| 470 | L | 77.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -53.1 | -16.1 | 178.9 | 11.1 | 44.3 | 0 | 0 | 0 | 112 | L419 F424 F465 Y472 H473 I475 F2022 K2023 T2024 | L419-L470 HydrophobicContact CB-CD2 3.84Å; L419-L470 WeakPolarHBondContact O-CD2 3.21Å; F424-L470 HydrophobicContact CE2-CD2 3.81Å; F424-L470 HydrophobicContact CZ-CD2 4.25Å; F465-L470 HydrophobicContact CD2-CD1 3.12Å; F465-L470 HydrophobicContact CD2-CD2 4.43Å; F465-L470 HydrophobicContact CD2-CG 3.93Å; F465-L470 HydrophobicContact CE2-CD1 3.42Å; F465-L470 VanDerWaalsContact CE2-CD1 3.42Å; F465-L470 HydrophobicContact CE2-CD2 4.04Å; F465-L470 HydrophobicContact CE2-CG 4.05Å; F465-L470 HydrophobicContact CG-CD1 3.98Å; F465-L470 HydrophobicContact CG-CG 4.48Å; F465-L470 HydrophobicContact CZ-CD1 4.41Å; F465-L470 HydrophobicContact CZ-CD2 4.39Å; L470-Y472 VanDerWaalsContact C-N 3.35Å; L470-H473 CarbonylContact O-C 3.23Å; L470-H473 WeakPolarHBondContact O-CA 3.29Å; L470-H473 PolarHBondContact O-N 2.63Å; L470-I475 HydrophobicContact CB-CB 3.48Å; L470-I475 VanDerWaalsContact CB-CB 3.48Å; L470-I475 HydrophobicContact CB-CG1 3.56Å; L470-I475 HydrophobicContact CD1-CG1 4.14Å; L470-I475 HydrophobicContact CD2-CB 3.68Å; L470-I475 HydrophobicContact CD2-CG1 4.14Å; L470-I475 HydrophobicContact CD2-CG2 4.22Å; L470-I475 HydrophobicContact CG-CB 3.34Å; L470-I475 HydrophobicContact CG-CG1 3.3Å; L470-I475 HydrophobicContact CG-CG2 4.28Å; L470-F2022 VanDerWaalsContact C-C 3.46Å; L470-F2022 CarbonylContact C-O 3.55Å; L470-F2022 CarbonylContact O-C 3.52Å; L470-F2022 WeakPolarHBondContact O-CB 3.47Å; L470-K2023 VanDerWaalsContact C-CB 3.45Å; L470-K2023 VanDerWaalsContact C-CG 3.44Å; L470-K2023 VanDerWaalsContact C-N 3.3Å; L470-K2023 HydrophobicContact CB-CB 4.24Å; L470-K2023 HydrophobicContact CB-CG 3.75Å; L470-K2023 HydrophobicContact CD1-CB 4.15Å; L470-K2023 HydrophobicContact CD1-CD 3.98Å; L470-K2023 HydrophobicContact CD1-CG 3.13Å; L470-K2023 WeakPolarHBondContact CD2-O 3.24Å; L470-K2023 HydrophobicContact CG-CG 3.86Å; L470-K2023 VanDerWaalsContact N-CD 3.35Å; L470-K2023 WeakPolarHBondContact O-CA 3.36Å; L470-K2023 PolarHBondContact O-N 2.75Å; L470-K2023 VanDerWaalsContact O-N 3.12Å; L470-T2024 VanDerWaalsContact CD1-CB 3.48Å; L470-T2024 HydrophobicContact CD1-CG2 4.15Å; L470-T2024 VanDerWaalsContact CD1-O 3.27Å; L470-T2024 WeakPolarHBondContact CD1-O 3.46Å; L470-T2024 HydrophobicContact CD2-CG2 4.4Å |
| 471 | L | 68.4 | Low | 79.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -79.9 | -30 | 178.2 | -128.9 | 145.4 | 0 | 0 | 0 | 113.4 | L421 K468 D469 H473 Q1832 L1929 T1930 L1931 N2020 F2022 K2023 | L421-L471 HydrophobicContact CD1-CD1 3.38Å; L421-L471 HydrophobicContact CD1-CD2 4.49Å; L421-L471 HydrophobicContact CD1-CG 3.7Å; K468-L471 WeakPolarHBondContact O-CA 3.48Å; K468-L471 WeakPolarHBondContact O-CB 3.39Å; K468-L471 PolarHBondContact O-N 3.13Å; D469-L471 PolarHBondContact O-N 3.44Å; L471-H473 PolarHBondContact O-N 3.34Å; L471-Q1832 PolarHBondContact O-OE1 2.88Å; L471-L1929 CarbonylContact C-O 3.51Å; L471-L1929 WeakPolarHBondContact CB-O 3.46Å; L471-L1929 HydrophobicContact CD2-CB 3.49Å; L471-L1929 VanDerWaalsContact CD2-CB 3.49Å; L471-L1929 HydrophobicContact CD2-CD2 3.55Å; L471-L1929 HydrophobicContact CD2-CG 3.38Å; L471-L1929 WeakPolarHBondContact CD2-O 3.48Å; L471-T1930 VanDerWaalsContact CD1-C 3.48Å; L471-L1931 HydrophobicContact CD1-CB 3.35Å; L471-L1931 HydrophobicContact CD1-CD1 3.74Å; L471-L1931 HydrophobicContact CD1-CD2 3.74Å; L471-L1931 HydrophobicContact CD1-CG 3.77Å; L471-N2020 WeakPolarHBondContact CD2-OD1 3.09Å; L471-F2022 VanDerWaalsContact CA-CB 3.43Å; L471-F2022 HydrophobicContact CB-CB 4.35Å; L471-F2022 HydrophobicContact CD2-CB 3.84Å; L471-F2022 HydrophobicContact CG-CB 3.89Å; L471-F2022 WeakPolarHBondContact O-CB 3.12Å; L471-F2022 VanDerWaalsContact O-CD1 3.23Å; L471-F2022 WeakPolarHBondContact O-CD1 3.37Å; L471-F2022 WeakPolarHBondContact O-CG 3.37Å; L471-K2023 VanDerWaalsContact CA-CB 3.44Å; L471-K2023 HydrophobicContact CB-CB 3.38Å; L471-K2023 HydrophobicContact CB-CD 3.92Å; L471-K2023 HydrophobicContact CB-CG 4.04Å; L471-K2023 HydrophobicContact CD1-CB 3.6Å; L471-K2023 HydrophobicContact CG-CB 3.58Å; L471-K2023 VanDerWaalsContact N-CA 3.34Å; L471-K2023 VanDerWaalsContact N-CD 3.26Å |
| 472 | Y | 69.7 | Low | 79.3 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -69.2 | 22.5 | 161.8 | -60.1 | -8.8 | 0 | 0 | 0 | 109.4 | E171 K468 D469 L470 R474 Q1832 L1900 P1928 L1929 T1930 | E171-Y472 PolarHBondContact OE2-OH 2.68Å; K468-Y472 VanDerWaalsContact C-CG 3.5Å; K468-Y472 HydrophobicContact CB-CD2 3.7Å; K468-Y472 HydrophobicContact CB-CE2 3.36Å; K468-Y472 HydrophobicContact CD-CE2 4.35Å; K468-Y472 HydrophobicContact CG-CE2 3.96Å; K468-Y472 WeakPolarHBondContact O-CB 3.27Å; K468-Y472 WeakPolarHBondContact O-CD1 3.4Å; K468-Y472 WeakPolarHBondContact O-CD2 3.31Å; K468-Y472 PolarHBondContact O-N 3.1Å; D469-Y472 CarbonylContact O-C 3.53Å; D469-Y472 VanDerWaalsContact O-CA 3.29Å; D469-Y472 WeakPolarHBondContact O-CA 3.28Å; D469-Y472 WeakPolarHBondContact O-CB 3.44Å; D469-Y472 PolarHBondContact O-N 3.44Å; L470-Y472 VanDerWaalsContact C-N 3.35Å; Y472-R474 WeakPolarHBondContact O-CG 3.46Å; Y472-R474 PolarHBondContact O-N 2.8Å; Y472-Q1832 PolarHBondContact O-NE2 2.93Å; Y472-Q1832 PolarHBondContact O-OE1 2.68Å; Y472-L1900 WeakPolarHBondContact O-CD1 3.09Å; Y472-L1900 VanDerWaalsContact O-CG 3.3Å; Y472-L1900 WeakPolarHBondContact O-CG 3.39Å; Y472-P1928 HydrophobicContact CD1-CB 3.12Å; Y472-P1928 HydrophobicContact CD1-CG 3.45Å; Y472-P1928 VanDerWaalsContact CD1-CG 3.45Å; Y472-P1928 HydrophobicContact CD2-CB 3.97Å; Y472-P1928 HydrophobicContact CD2-CG 3.68Å; Y472-P1928 HydrophobicContact CE1-CB 3.59Å; Y472-P1928 HydrophobicContact CE1-CG 3.42Å; Y472-P1928 VanDerWaalsContact CE1-CG 3.42Å; Y472-P1928 WeakPolarHBondContact CE1-O 3.41Å; Y472-P1928 HydrophobicContact CE2-CB 4.36Å; Y472-P1928 HydrophobicContact CE2-CG 3.65Å; Y472-P1928 HydrophobicContact CG-CB 3.33Å; Y472-P1928 HydrophobicContact CG-CG 3.57Å; Y472-L1929 WeakPolarHBondContact CD1-O 3.4Å; Y472-L1929 WeakPolarHBondContact CE1-O 3.46Å; Y472-T1930 HydrophobicContact CE1-CG2 3.56Å; Y472-T1930 WeakPolarHBondContact OH-CG2 3.2Å |
| 473 | H | 71.6 | Confident | 78.7 | Confident | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.139 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 34.3 | 25.4 | -160.8 | -108.3 | -16.6 | 0 | 0 | 0 | 113.7 | F418 L470 L471 I475 Q2021 F2022 | F418-H473 HydrophobicContact CD1-CB 4.09Å; F418-H473 AromaticContact CD1-CG 3.86Å; F418-H473 AromaticContact CD1-ND1 3.98Å; F418-H473 WeakPolarHBondContact CD1-O 3.45Å; F418-H473 HydrophobicContact CE1-CB 4.27Å; F418-H473 WeakPolarHBondContact CE1-O 3.39Å; L470-H473 CarbonylContact O-C 3.23Å; L470-H473 WeakPolarHBondContact O-CA 3.29Å; L470-H473 PolarHBondContact O-N 2.63Å; L471-H473 PolarHBondContact O-N 3.34Å; H473-I475 VanDerWaalsContact C-N 3.3Å; H473-I475 PolarHBondContact O-N 2.93Å; H473-Q2021 PolarHBondContact CE1-O 3.04Å; H473-F2022 HydrophobicContact CB-CB 4.46Å; H473-F2022 HydrophobicContact CB-CD1 3.28Å; H473-F2022 HydrophobicContact CB-CE1 3.74Å; H473-F2022 HydrophobicContact CB-CG 4.2Å; H473-F2022 AromaticContact CD2-CD1 3.22Å; H473-F2022 WeakPolarHBondContact CD2-CD1 3.28Å; H473-F2022 AromaticContact CD2-CE1 3.18Å; H473-F2022 WeakPolarHBondContact CD2-CE1 3.3Å; H473-F2022 AromaticContact CD2-CG 3.75Å; H473-F2022 AromaticContact CD2-CZ 3.79Å; H473-F2022 AromaticContact CE1-CG 3.96Å; H473-F2022 AromaticContact CG-CD1 3.1Å; H473-F2022 AromaticContact CG-CE1 3.55Å; H473-F2022 AromaticContact CG-CG 3.65Å; H473-F2022 WeakPolarHBondContact ND1-CA 3.23Å; H473-F2022 AromaticContact ND1-CD1 3.74Å; H473-F2022 AromaticContact ND1-CG 3.8Å; H473-F2022 PolarHBondContact ND1-O 3.34Å; H473-F2022 AromaticContact NE2-CD1 3.9Å; H473-F2022 AromaticContact NE2-CE1 3.97Å; H473-F2022 AromaticContact NE2-CG 3.95Å |
| 474 | R | 80.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 21 Ų | 21 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | trans | -70.4 | -31.4 | -166.8 | -59.1 | -163.2 | -86.7 | -150 | 16.7 | 111 | Y451 K452 L453 D455 D469 Y472 F476 L1900 | Y451-R474 VanDerWaalsContact O-O 3.07Å; K452-R474 CarbonylContact C-O 3.57Å; K452-R474 VanDerWaalsContact CA-O 3.26Å; K452-R474 WeakPolarHBondContact CA-O 3.21Å; K452-R474 HydrophobicContact CG-CB 4Å; L453-R474 HydrophobicContact CB-CB 4.16Å; L453-R474 HydrophobicContact CB-CG 4.44Å; L453-R474 WeakPolarHBondContact CB-O 3.49Å; L453-R474 PolarHBondContact N-O 3.26Å; L453-R474 VanDerWaalsContact O-CB 3.3Å; L453-R474 WeakPolarHBondContact O-CB 3.36Å; L453-R474 WeakPolarHBondContact O-CD 3.21Å; L453-R474 WeakPolarHBondContact O-CG 3.34Å; D455-R474 IonicContact OD1-NH1 3.72Å; D455-R474 PolarHBondContact OD1-NH1 3.06Å; D469-R474 HydrophobicContact CB-CB 4.39Å; D469-R474 WeakPolarHBondContact O-CA 3.27Å; D469-R474 WeakPolarHBondContact O-CB 3.38Å; D469-R474 WeakPolarHBondContact O-CG 3.27Å; D469-R474 PolarHBondContact O-N 3.45Å; D469-R474 IonicContact OD1-CZ 3.87Å; D469-R474 IonicContact OD1-NE 3.84Å; D469-R474 PolarHBondContact OD1-NE 3.05Å; D469-R474 IonicContact OD1-NH2 3.95Å; D469-R474 PolarHBondContact OD1-NH2 2.84Å; Y472-R474 WeakPolarHBondContact O-CG 3.46Å; Y472-R474 PolarHBondContact O-N 2.8Å; R474-F476 WeakPolarHBondContact O-CD1 3.41Å; R474-L1900 HydrophobicContact CG-CD1 3.95Å | ||
| 475 | I | 89.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.1 | -176.5 | -39 | -53.6 | 0 | 0 | 0 | 113 | L419 V450 Y451 K452 V462 F465 D469 L470 H473 | L419-I475 HydrophobicContact CB-CG2 4.41Å; L419-I475 HydrophobicContact CD1-CG2 4.34Å; L419-I475 PolarHBondContact N-O 2.75Å; V450-I475 HydrophobicContact CG1-CG2 3.09Å; Y451-I475 WeakPolarHBondContact O-CA 3.36Å; K452-I475 HydrophobicContact CB-CD1 3.21Å; K452-I475 HydrophobicContact CD-CD1 3.99Å; K452-I475 HydrophobicContact CG-CD1 3.48Å; K452-I475 VanDerWaalsContact CG-CD1 3.48Å; V462-I475 HydrophobicContact CG2-CD1 3.81Å; F465-I475 HydrophobicContact CB-CD1 4.21Å; F465-I475 HydrophobicContact CB-CG1 4.08Å; F465-I475 HydrophobicContact CD1-CD1 4.16Å; F465-I475 HydrophobicContact CD1-CG1 3.82Å; F465-I475 HydrophobicContact CD1-CG2 4.28Å; F465-I475 HydrophobicContact CD2-CG1 4.41Å; F465-I475 HydrophobicContact CE1-CG1 4.34Å; F465-I475 HydrophobicContact CE1-CG2 4.03Å; F465-I475 HydrophobicContact CG-CD1 4.35Å; F465-I475 HydrophobicContact CG-CG1 3.86Å; D469-I475 HydrophobicContact CB-CD1 4.24Å; D469-I475 HydrophobicContact CB-CG1 4.44Å; L470-I475 HydrophobicContact CB-CB 3.48Å; L470-I475 VanDerWaalsContact CB-CB 3.48Å; L470-I475 HydrophobicContact CB-CG1 3.56Å; L470-I475 HydrophobicContact CD1-CG1 4.14Å; L470-I475 HydrophobicContact CD2-CB 3.68Å; L470-I475 HydrophobicContact CD2-CG1 4.14Å; L470-I475 HydrophobicContact CD2-CG2 4.22Å; L470-I475 HydrophobicContact CG-CB 3.34Å; L470-I475 HydrophobicContact CG-CG1 3.3Å; L470-I475 HydrophobicContact CG-CG2 4.28Å; H473-I475 VanDerWaalsContact C-N 3.3Å; H473-I475 PolarHBondContact O-N 2.93Å |
| 476 | F | 87.3 | Confident | 77.3 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.2 | 177 | 53.8 | -79.4 | 0 | 0 | 0 | 108.8 | V417 F418 Y451 L453 R459 R474 V478 | V417-F476 CarbonylContact O-C 3.48Å; V417-F476 WeakPolarHBondContact O-CA 3.49Å; V417-F476 WeakPolarHBondContact O-CB 3.45Å; F418-F476 HydrophobicContact CD1-CB 3.87Å; F418-F476 HydrophobicContact CE1-CB 4.13Å; F418-F476 HydrophobicContact CE1-CD1 4.14Å; F418-F476 HydrophobicContact CE1-CG 4.36Å; F418-F476 HydrophobicContact CG-CB 4.31Å; Y451-F476 VanDerWaalsContact CB-CZ 3.43Å; Y451-F476 HydrophobicContact CD2-CE2 4.14Å; Y451-F476 HydrophobicContact CG-CE2 4.16Å; Y451-F476 HydrophobicContact CG-CZ 4.17Å; Y451-F476 PolarHBondContact N-O 3.37Å; Y451-F476 WeakPolarHBondContact O-CD1 3.05Å; Y451-F476 WeakPolarHBondContact O-CE1 3.46Å; Y451-F476 PolarHBondContact O-N 3.2Å; Y451-F476 VanDerWaalsContact O-N 3.13Å; L453-F476 HydrophobicContact CB-CE1 4.01Å; L453-F476 HydrophobicContact CD1-CE1 4.18Å; R459-F476 HydrophobicContact CB-CZ 4.14Å; R459-F476 HydrophobicContact CG-CZ 3.8Å; R474-F476 WeakPolarHBondContact O-CD1 3.41Å; F476-V478 HydrophobicContact CD2-CG2 3.48Å; F476-V478 VanDerWaalsContact CD2-CG2 3.48Å; F476-V478 HydrophobicContact CE2-CG2 3.45Å; F476-V478 VanDerWaalsContact CE2-CG2 3.45Å |
| 477 | Y | 90.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.2 | 167.4 | 170.6 | -90.6 | 0 | 0 | 0 | 108.1 | V411 Q416 V417 P445 H447 G448 V450 H479 D487 M489 I513 | V411-Y477 HydrophobicContact CG1-CE1 4.31Å; Q416-Y477 WeakPolarHBondContact CA-O 3.3Å; V417-Y477 HydrophobicContact CG1-CD1 3.76Å; V417-Y477 HydrophobicContact CG1-CG 4.34Å; V417-Y477 PolarHBondContact N-O 2.76Å; V417-Y477 PolarHBondContact O-N 2.99Å; P445-Y477 HydrophobicContact CB-CD2 4.33Å; P445-Y477 HydrophobicContact CB-CE2 3.68Å; P445-Y477 HydrophobicContact CG-CD2 4.11Å; P445-Y477 HydrophobicContact CG-CE2 3.9Å; H447-Y477 PolarHBondContact O-OH 2.87Å; G448-Y477 PolarHBondContact N-OH 2.74Å; V450-Y477 HydrophobicContact CG2-CD2 4.45Å; Y477-H479 HydrophobicContact CE1-CB 3.74Å; Y477-H479 PolarHBondContact OH-CD2 3.12Å; Y477-D487 WeakPolarHBondContact CE2-OD2 3.28Å; Y477-D487 PolarHBondContact OH-OD2 2.77Å; Y477-M489 HydrophobicContact CD2-CE 4.26Å; Y477-M489 HydrophobicContact CD2-SD 4.23Å; Y477-I513 HydrophobicContact CD1-CG1 4.32Å; Y477-I513 HydrophobicContact CD2-CD1 3.9Å; Y477-I513 HydrophobicContact CE1-CD1 4.14Å; Y477-I513 HydrophobicContact CE1-CG1 4.06Å; Y477-I513 HydrophobicContact CE1-CG2 3.96Å; Y477-I513 HydrophobicContact CE2-CD1 3.47Å; Y477-I513 VanDerWaalsContact CE2-CD1 3.47Å; Y477-I513 HydrophobicContact CE2-CG1 4.26Å; Y477-I513 HydrophobicContact CG-CD1 4.4Å |
| 478 | V | 87.9 | Confident | 78.2 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 16% | 0.158 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.9 | 169 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | Q416 G448 K449 Y451 F476 | Q416-V478 HydrophobicContact CB-CG2 4.11Å; G448-V478 CarbonylContact C-O 3.54Å; G448-V478 WeakPolarHBondContact CA-O 3.21Å; K449-V478 PolarHBondContact N-O 3.23Å; K449-V478 PolarHBondContact O-N 2.79Å; Y451-V478 HydrophobicContact CD2-CB 4.14Å; Y451-V478 HydrophobicContact CD2-CG2 3.62Å; Y451-V478 HydrophobicContact CE2-CB 3.94Å; Y451-V478 HydrophobicContact CE2-CG2 3.71Å; F476-V478 HydrophobicContact CD2-CG2 3.48Å; F476-V478 VanDerWaalsContact CD2-CG2 3.48Å; F476-V478 HydrophobicContact CE2-CG2 3.45Å; F476-V478 VanDerWaalsContact CE2-CG2 3.45Å |
| 479 | H | 84.6 | Confident | 78.9 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.8 | 170.4 | -172.7 | -136.8 | 0 | 0 | 0 | 108.5 | V411 D412 G414 G415 H447 Y477 G481 S482 V515 | V411-H479 HydrophobicContact CG1-CB 4.14Å; V411-H479 HydrophobicContact CG2-CB 4.33Å; D412-H479 PolarHBondContact O-ND1 2.83Å; G414-H479 PolarHBondContact N-ND1 3.2Å; G415-H479 WeakPolarHBondContact O-CB 3.4Å; G415-H479 PolarHBondContact O-N 2.9Å; H447-H479 PolarHBondContact O-CD2 3.45Å; Y477-H479 HydrophobicContact CE1-CB 3.74Å; Y477-H479 PolarHBondContact OH-CD2 3.12Å; H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.04Å; H479-S482 PolarHBondContact CE1-O 3.01Å; H479-S482 PolarHBondContact NE2-O 2.99Å; H479-V515 WeakPolarHBondContact CE1-CG1 3.38Å |
| 480 | D | 77.7 | Confident | 79.1 | Confident | 90 Ų | 90 | 32.1 Ų | 32.1 | 48% | 0.481 | 17% | 0.167 | S | C | . | . | trans | -82.7 | -3.9 | -168.4 | 73.4 | 5.7 | 0 | 0 | 0 | 115.3 | H447 S482 | H447-D480 PolarHBondContact O-N 2.82Å; D480-S482 WeakPolarHBondContact OD1-CB 3.2Å; D480-S482 PolarHBondContact OD1-N 2.85Å; D480-S482 VanDerWaalsContact OD1-N 3.07Å; D480-S482 PolarHBondContact OD1-OG 2.87Å | ||
| 481 | G | 72 | Confident | 79.4 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 89 | 24.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H479 | H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.04Å |
| 482 | S | 70.3 | Confident | 80 | Confident | 28 Ų | 28 | 34.7 Ų | 34.7 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | trans | -103.2 | 127.9 | 165.1 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | H447 H479 D480 T484 | H447-S482 PolarHBondContact ND1-OG 2.83Å; H479-S482 PolarHBondContact CE1-O 3.01Å; H479-S482 PolarHBondContact NE2-O 2.99Å; D480-S482 WeakPolarHBondContact OD1-CB 3.2Å; D480-S482 PolarHBondContact OD1-N 2.85Å; D480-S482 VanDerWaalsContact OD1-N 3.07Å; D480-S482 PolarHBondContact OD1-OG 2.87Å; S482-T484 PolarHBondContact O-N 3.49Å | ||
| 483 | E | 69 | Low | 80.3 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | trans | -75.1 | 74.4 | 176.9 | -61.8 | -176 | -92.3 | 0 | 0 | 111.6 | E413 S517 Y550 P552 | E413-E483 HydrophobicContact CB-CG 4.4Å; E413-E483 HydrophobicContact CG-CG 3.71Å; E413-E483 VanDerWaalsContact OE2-CG 3.29Å; E413-E483 WeakPolarHBondContact OE2-CG 2.95Å; E483-S517 WeakPolarHBondContact OE2-CB 3.36Å; E483-S517 PolarHBondContact OE2-OG 3.41Å; E483-Y550 WeakPolarHBondContact CA-OH 3.41Å; E483-Y550 HydrophobicContact CB-CE1 3.82Å; E483-Y550 WeakPolarHBondContact CB-OH 3.43Å; E483-Y550 HydrophobicContact CG-CE1 4.09Å; E483-Y550 PolarHBondContact N-OH 2.83Å; E483-Y550 PolarHBondContact O-OH 3.05Å; E483-P552 HydrophobicContact CB-CG 3.86Å; E483-P552 HydrophobicContact CG-CG 4.23Å; E483-P552 WeakPolarHBondContact OE1-CD 3.34Å; E483-P552 WeakPolarHBondContact OE1-CG 3.3Å; E483-P552 VanDerWaalsContact OE2-CG 3.22Å; E483-P552 WeakPolarHBondContact OE2-CG 3.44Å | ||
| 484 | T | 69.8 | Low | 80.1 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | trans | -72.7 | 164.4 | 145.7 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | H447 S482 Q486 V515 | H447-T484 HydrophobicContact CB-CG2 3.98Å; H447-T484 VanDerWaalsContact CD2-CG2 3.41Å; H447-T484 WeakPolarHBondContact CD2-CG2 3.36Å; H447-T484 WeakPolarHBondContact ND1-CG2 3.33Å; S482-T484 PolarHBondContact O-N 3.49Å; T484-Q486 WeakPolarHBondContact CB-O 3.43Å; T484-V515 VanDerWaalsContact O-CB 3.26Å; T484-V515 WeakPolarHBondContact O-CB 3.27Å; T484-V515 VanDerWaalsContact O-CG1 3.3Å; T484-V515 WeakPolarHBondContact O-CG1 3.44Å | ||
| 485 | Q | 72.1 | Confident | 79.1 | Confident | 147 Ų | 147 | 35.1 Ų | 35.1 | 69% | 0.687 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -98 | -18.4 | 164.1 | -66.6 | -179.3 | -10.8 | 0 | 0 | 111.4 | N514 V515 | Q485-N514 WeakPolarHBondContact O-CA 3.47Å; Q485-V515 PolarHBondContact O-N 2.9Å |
| 486 | Q | 78.5 | Confident | 77.4 | Confident | 113 Ų | 113 | 37.6 Ų | 37.6 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.4 | -179.9 | -62.7 | -176.9 | -2.2 | 0 | 0 | 110.5 | T484 I513 | T484-Q486 WeakPolarHBondContact CB-O 3.43Å; Q486-I513 WeakPolarHBondContact CA-O 3.48Å |
| 487 | D | 85.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.4 | 168.9 | -178.5 | 19.2 | 0 | 0 | 0 | 107.4 | P445 E446 H447 G448 Y477 I513 | P445-D487 WeakPolarHBondContact CB-OD2 3.35Å; E446-D487 PolarHBondContact N-OD1 2.79Å; H447-D487 HydrophobicContact CB-CB 4.11Å; H447-D487 PolarHBondContact N-OD1 2.87Å; H447-D487 PolarHBondContact N-OD2 2.84Å; H447-D487 VanDerWaalsContact N-OD2 3.11Å; G448-D487 PolarHBondContact N-OD2 3.47Å; Y477-D487 WeakPolarHBondContact CE2-OD2 3.28Å; Y477-D487 PolarHBondContact OH-OD2 2.77Å; D487-I513 HydrophobicContact CB-CB 4.07Å; D487-I513 HydrophobicContact CB-CD1 3.95Å; D487-I513 HydrophobicContact CB-CG2 4.49Å; D487-I513 PolarHBondContact N-O 3.29Å; D487-I513 VanDerWaalsContact N-O 3.11Å; D487-I513 PolarHBondContact O-N 2.89Å |
| 488 | E | 85.5 | Confident | 73.7 | Confident | 91 Ų | 91 | 39.9 Ų | 39.9 | 43% | 0.425 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146 | 179 | 80.2 | 175 | 175.4 | 0 | 0 | 113.9 | K406 P445 I511 L512 | K406-E488 IonicContact NZ-OE1 3.96Å; K406-E488 IonicContact NZ-OE2 3.8Å; K406-E488 PolarHBondContact NZ-OE2 2.94Å; P445-E488 WeakPolarHBondContact CA-O 3.45Å; E488-I511 WeakPolarHBondContact CA-O 3.24Å; E488-L512 HydrophobicContact CB-CD2 3.84Å; E488-L512 WeakPolarHBondContact OE2-CD2 3.31Å |
| 489 | M | 87.3 | Confident | 71.4 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.9 | -178.3 | 56.6 | -176.5 | 163.6 | 0 | 0 | 112.7 | L409 L419 P445 V450 Y477 F491 I511 I513 | L409-M489 HydrophobicContact CD1-CE 4.22Å; L419-M489 HydrophobicContact CD1-CE 3.84Å; L419-M489 HydrophobicContact CD1-SD 4.19Å; L419-M489 HydrophobicContact CD2-CE 3.53Å; L419-M489 HydrophobicContact CG-CE 4.22Å; P445-M489 HydrophobicContact CB-CB 4.07Å; P445-M489 HydrophobicContact CG-CB 4.17Å; P445-M489 HydrophobicContact CG-SD 4.12Å; V450-M489 HydrophobicContact CG2-SD 3.84Å; Y477-M489 HydrophobicContact CD2-CE 4.26Å; Y477-M489 HydrophobicContact CD2-SD 4.23Å; M489-F491 HydrophobicContact CB-CE2 4.23Å; M489-F491 HydrophobicContact CG-CE2 3.81Å; M489-F491 HydrophobicContact CG-CZ 4.34Å; M489-F491 HydrophobicContact SD-CE2 3.91Å; M489-F491 HydrophobicContact SD-CZ 3.9Å; M489-I511 HydrophobicContact CE-CB 3.98Å; M489-I511 HydrophobicContact CE-CD1 4.06Å; M489-I511 HydrophobicContact CE-CG2 3.72Å; M489-I511 HydrophobicContact CG-CB 4.04Å; M489-I511 PolarHBondContact N-O 3.14Å; M489-I511 PolarHBondContact O-N 2.76Å; M489-I511 VanDerWaalsContact O-N 3.08Å; M489-I513 HydrophobicContact CE-CD1 3.74Å; M489-I513 HydrophobicContact CE-CG1 4.16Å; M489-I513 HydrophobicContact CG-CD1 4.34Å; M489-I513 HydrophobicContact SD-CD1 4.28Å |
| 490 | E | 84.2 | Confident | 69.4 | Low | 23 Ų | 23 | 48 Ų | 48 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.1 | -173.5 | -153.1 | -170.7 | 145.4 | 0 | 0 | 110.4 | F442 N443 H508 V509 F510 | F442-E490 HydrophobicContact CB-CB 4.4Å; F442-E490 HydrophobicContact CB-CG 4.43Å; F442-E490 VanDerWaalsContact CD1-CD 3.47Å; F442-E490 HydrophobicContact CD1-CG 4.33Å; F442-E490 WeakPolarHBondContact CD1-OE1 3.33Å; F442-E490 PolarHBondContact N-O 2.92Å; N443-E490 HydrophobicContact CB-CB 3.73Å; N443-E490 PolarHBondContact N-O 3.37Å; N443-E490 PolarHBondContact ND2-OE2 3.38Å; N443-E490 PolarHBondContact O-N 2.74Å; E490-H508 WeakPolarHBondContact OE1-CB 3.31Å; E490-H508 IonicContact OE1-CE1 3.1Å; E490-H508 IonicContact OE1-CG 2.65Å; E490-H508 VanDerWaalsContact OE1-CG 3.3Å; E490-H508 IonicContact OE1-ND1 2.9Å; E490-H508 PolarHBondContact OE1-ND1 2.82Å; E490-V509 VanDerWaalsContact CA-O 3.24Å; E490-V509 WeakPolarHBondContact CA-O 3.46Å; E490-V509 WeakPolarHBondContact CG-O 3.41Å; E490-F510 HydrophobicContact CB-CE1 4.39Å; E490-F510 VanDerWaalsContact CD-CZ 3.44Å; E490-F510 HydrophobicContact CG-CD1 3.93Å; E490-F510 HydrophobicContact CG-CE1 3.51Å; E490-F510 HydrophobicContact CG-CE2 4.41Å; E490-F510 HydrophobicContact CG-CZ 3.77Å; E490-F510 WeakPolarHBondContact OE1-CZ 3.29Å; E490-F510 WeakPolarHBondContact OE2-CE1 3.32Å |
| 491 | F | 85 | Confident | 67.8 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.9 | 179.2 | -57.7 | -98.8 | 0 | 0 | 0 | 108.6 | F424 T440 M441 V450 F465 M489 I493 V509 I511 D2026 N2027 | F424-F491 AromaticContact CE1-CD2 3.56Å; F424-F491 HydrophobicContact CE1-CD2 3.56Å; F424-F491 HydrophobicContact CE1-CE1 4.5Å; F424-F491 AromaticContact CE1-CE2 3.48Å; F424-F491 HydrophobicContact CE1-CE2 3.48Å; F424-F491 VanDerWaalsContact CE1-CE2 3.48Å; F424-F491 HydrophobicContact CE1-CG 4.12Å; F424-F491 AromaticContact CE1-CZ 3.99Å; F424-F491 HydrophobicContact CE1-CZ 3.99Å; F424-F491 HydrophobicContact CZ-CD2 4.24Å; F424-F491 HydrophobicContact CZ-CE1 4.48Å; F424-F491 AromaticContact CZ-CE2 3.69Å; F424-F491 HydrophobicContact CZ-CE2 3.69Å; F424-F491 AromaticContact CZ-CZ 3.83Å; F424-F491 HydrophobicContact CZ-CZ 3.83Å; T440-F491 CarbonylContact O-C 3.41Å; T440-F491 WeakPolarHBondContact O-CA 3.1Å; T440-F491 VanDerWaalsContact O-CB 3.23Å; T440-F491 WeakPolarHBondContact O-CB 3.49Å; M441-F491 HydrophobicContact CB-CD1 3.88Å; M441-F491 HydrophobicContact CB-CE1 4.03Å; M441-F491 HydrophobicContact CE-CE1 3.83Å; M441-F491 HydrophobicContact CE-CZ 4.37Å; M441-F491 HydrophobicContact CG-CD1 4.01Å; M441-F491 HydrophobicContact CG-CE1 3.85Å; M441-F491 HydrophobicContact CG-CZ 4.5Å; V450-F491 HydrophobicContact CG2-CZ 4.43Å; F465-F491 HydrophobicContact CE1-CD1 4.5Å; F465-F491 AromaticContact CE1-CE1 3.86Å; F465-F491 HydrophobicContact CE1-CE1 3.86Å; F465-F491 AromaticContact CZ-CD1 3.89Å; F465-F491 HydrophobicContact CZ-CD1 3.89Å; F465-F491 AromaticContact CZ-CE1 3.44Å; F465-F491 HydrophobicContact CZ-CE1 3.44Å; F465-F491 VanDerWaalsContact CZ-CE1 3.44Å; F465-F491 HydrophobicContact CZ-CZ 4.14Å; M489-F491 HydrophobicContact CB-CE2 4.23Å; M489-F491 HydrophobicContact CG-CE2 3.81Å; M489-F491 HydrophobicContact CG-CZ 4.34Å; M489-F491 HydrophobicContact SD-CE2 3.91Å; M489-F491 HydrophobicContact SD-CZ 3.9Å; F491-I493 VanDerWaalsContact C-CD1 3.41Å; F491-I493 HydrophobicContact CB-CD1 3.54Å; F491-I493 HydrophobicContact CB-CG1 4.38Å; F491-V509 HydrophobicContact CB-CB 3.94Å; F491-V509 HydrophobicContact CB-CG2 3.77Å; F491-V509 HydrophobicContact CD2-CB 4.13Å; F491-V509 HydrophobicContact CD2-CG1 3.88Å; F491-V509 PolarHBondContact O-N 3.32Å; F491-V509 VanDerWaalsContact O-N 3.13Å; F491-I511 HydrophobicContact CE2-CD1 4.33Å; F491-D2026 WeakPolarHBondContact CB-OD2 3.34Å; F491-N2027 PolarHBondContact O-ND2 2.87Å |
| 492 | E | 81.1 | Confident | 66.6 | Low | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.5 | 174.3 | 171.5 | 178.9 | -143.8 | 0 | 0 | 107.1 | T440 F442 I506 | T440-E492 CarbonylContact C-O 3.56Å; T440-E492 VanDerWaalsContact C-O 3.3Å; T440-E492 VanDerWaalsContact CA-O 3.24Å; T440-E492 WeakPolarHBondContact CA-O 3.44Å; T440-E492 WeakPolarHBondContact CB-O 3.47Å; T440-E492 PolarHBondContact N-O 2.75Å; T440-E492 VanDerWaalsContact N-O 3.1Å; T440-E492 PolarHBondContact O-N 2.83Å; F442-E492 HydrophobicContact CB-CB 3.76Å; F442-E492 HydrophobicContact CD2-CB 3.56Å; F442-E492 HydrophobicContact CD2-CG 4.28Å; F442-E492 VanDerWaalsContact CD2-OE2 3.27Å; F442-E492 WeakPolarHBondContact CD2-OE2 3.48Å; F442-E492 HydrophobicContact CE2-CB 4.49Å; F442-E492 HydrophobicContact CG-CB 3.99Å; E492-I506 HydrophobicContact CG-CB 4.22Å; E492-I506 HydrophobicContact CG-CG2 3.55Å; E492-I506 WeakPolarHBondContact OE1-CB 3.37Å |
| 493 | I | 74.8 | Confident | 65.3 | Low | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.6 | -161 | -52.4 | 98.8 | 0 | 0 | 0 | 110.9 | L437 L438 C439 F491 I506 V509 D2026 N2027 | L437-I493 HydrophobicContact CB-CG2 4.43Å; L438-I493 VanDerWaalsContact O-CG2 3.3Å; L438-I493 WeakPolarHBondContact O-CG2 3.49Å; C439-I493 HydrophobicContact CB-CG1 4.27Å; F491-I493 VanDerWaalsContact C-CD1 3.41Å; F491-I493 HydrophobicContact CB-CD1 3.54Å; F491-I493 HydrophobicContact CB-CG1 4.38Å; I493-I506 WeakPolarHBondContact O-CG2 3.35Å; I493-V509 HydrophobicContact CD1-CG2 3.7Å; I493-D2026 HydrophobicContact CB-CB 3.95Å; I493-D2026 WeakPolarHBondContact CB-O 3.32Å; I493-D2026 HydrophobicContact CD1-CB 3.52Å; I493-D2026 WeakPolarHBondContact CD1-OD2 3.01Å; I493-D2026 HydrophobicContact CG1-CB 3.33Å; I493-D2026 HydrophobicContact CG2-CB 3.75Å; I493-D2026 WeakPolarHBondContact CG2-O 3.33Å; I493-N2027 CarbonylContact C-O 3.53Å; I493-N2027 HydrophobicContact CB-CB 3.69Å; I493-N2027 HydrophobicContact CD1-CB 3.31Å; I493-N2027 WeakPolarHBondContact CD1-ND2 3.47Å; I493-N2027 HydrophobicContact CG1-CB 4.02Å |
| 494 | E | 68.1 | Low | 64 | Low | 71 Ų | 71 | 49.3 Ų | 49.3 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158 | -164.5 | -61.4 | -165.4 | 117.5 | 0 | 0 | 113.5 | L438 | L438-E494 HydrophobicContact CB-CB 4.46Å; L438-E494 PolarHBondContact N-O 2.7Å |
| 495 | S | 59.4 | Low | 63.1 | Low | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | trans | -90.2 | 133 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | H15 E435 S498 Y499 Q2028 | H15-S495 PolarHBondContact CE1-O 2.7Å; H15-S495 PolarHBondContact ND1-O 3.24Å; E435-S495 PolarHBondContact OE1-OG 3.25Å; S495-S498 WeakPolarHBondContact OG-CA 3.15Å; S495-S498 WeakPolarHBondContact OG-CB 3.36Å; S495-S498 PolarHBondContact OG-N 3.19Å; S495-Y499 PolarHBondContact OG-N 3.14Å; S495-Q2028 VanDerWaalsContact OG-CD 3.29Å; S495-Q2028 PolarHBondContact OG-NE2 3.19Å; S495-Q2028 PolarHBondContact OG-OE1 3.49Å | ||
| 496 | E | 54.2 | Low | 62.5 | Low | 52 Ų | 52 | 47.1 Ų | 47.1 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -75.2 | -90 | 149.3 | -62.8 | -159 | 107.7 | 0 | 0 | 107.9 | G13 H15 E435 S498 Y499 W2361 | G13-E496 WeakPolarHBondContact CA-OE1 3.45Å; H15-E496 WeakPolarHBondContact CA-O 3.32Å; H15-E496 WeakPolarHBondContact CB-O 3.12Å; H15-E496 WeakPolarHBondContact ND1-CA 3.4Å; H15-E496 PolarHBondContact ND1-O 3.04Å; E435-E496 VanDerWaalsContact OE2-C 3.31Å; E435-E496 VanDerWaalsContact OE2-CA 3.3Å; E435-E496 WeakPolarHBondContact OE2-CA 3.38Å; E435-E496 WeakPolarHBondContact OE2-CB 3.33Å; E435-E496 PolarHBondContact OE2-N 2.94Å; E496-S498 PolarHBondContact O-N 2.83Å; E496-Y499 PolarHBondContact O-N 3.39Å; E496-W2361 HydrophobicContact CB-CH2 4.22Å; E496-W2361 HydrophobicContact CB-CZ2 4.38Å; E496-W2361 HydrophobicContact CG-CH2 4.22Å; E496-W2361 HydrophobicContact CG-CZ2 4.23Å; E496-W2361 WeakPolarHBondContact OE1-CH2 3.39Å |
| 497 | E | 52.8 | Low | 61.9 | Low | 45 Ų | 45 | 41.7 Ų | 41.7 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -3.4 | -163.3 | -40.7 | 177.1 | 174.2 | 0 | 0 | 118.5 | G16 P17 E435 | G16-E497 VanDerWaalsContact C-CB 3.45Å; G16-E497 VanDerWaalsContact C-CG 3.5Å; G16-E497 WeakPolarHBondContact O-CG 3.45Å; P17-E497 VanDerWaalsContact CA-CD 3.42Å; P17-E497 WeakPolarHBondContact CA-OE2 3.49Å; P17-E497 HydrophobicContact CB-CB 4.3Å; P17-E497 WeakPolarHBondContact CB-OE2 3.49Å; P17-E497 HydrophobicContact CG-CB 3.65Å; P17-E497 HydrophobicContact CG-CG 4.46Å; P17-E497 WeakPolarHBondContact CG-OE2 3.33Å; E435-E497 HydrophobicContact CB-CB 4.49Å; E435-E497 HydrophobicContact CB-CG 3.82Å; E435-E497 VanDerWaalsContact CD-CA 3.43Å; E435-E497 VanDerWaalsContact CD-CG 3.43Å; E435-E497 HydrophobicContact CG-CB 3.47Å; E435-E497 VanDerWaalsContact CG-CB 3.47Å; E435-E497 HydrophobicContact CG-CG 3.31Å; E435-E497 WeakPolarHBondContact CG-OE2 3.3Å; E435-E497 VanDerWaalsContact OE1-C 3.22Å; E435-E497 WeakPolarHBondContact OE1-CA 3.49Å; E435-E497 WeakPolarHBondContact OE1-CB 3.4Å; E435-E497 PolarHBondContact OE1-N 2.82Å; E435-E497 PolarHBondContact OE2-N 3.11Å |
| 498 | S | 47.4 | Very low | 61.2 | Low | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 20.4 | -177.8 | -40.1 | 0 | 0 | 0 | 0 | 114.4 | E435 S495 E496 K500 A501 F502 M1933 S1936 Q2028 | E435-S498 PolarHBondContact OE1-N 3.39Å; E435-S498 VanDerWaalsContact OE1-N 3.08Å; E435-S498 PolarHBondContact OE1-OG 2.82Å; S495-S498 WeakPolarHBondContact OG-CA 3.15Å; S495-S498 WeakPolarHBondContact OG-CB 3.36Å; S495-S498 PolarHBondContact OG-N 3.19Å; E496-S498 PolarHBondContact O-N 2.83Å; S498-K500 PolarHBondContact O-N 2.92Å; S498-A501 CarbonylContact O-C 3.49Å; S498-A501 WeakPolarHBondContact O-CA 3.1Å; S498-A501 WeakPolarHBondContact O-CB 3.24Å; S498-A501 PolarHBondContact O-N 3.43Å; S498-F502 PolarHBondContact O-N 2.72Å; S498-M1933 WeakPolarHBondContact OG-CE 3.34Å; S498-S1936 WeakPolarHBondContact CB-OG 3.28Å; S498-S1936 WeakPolarHBondContact OG-CB 3.44Å; S498-S1936 PolarHBondContact OG-O 3.11Å; S498-S1936 PolarHBondContact OG-OG 3.29Å; S498-Q2028 PolarHBondContact OG-OE1 3.01Å |
| 499 | Y | 39.8 | Very low | 60.5 | Low | 100 Ų | 100 | 39.4 Ų | 39.4 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29.9 | -172.4 | -171.5 | -86.6 | 0 | 0 | 0 | 118 | H15 S495 E496 A501 F502 V503 | H15-Y499 AromaticContact CD2-CG 3.98Å; H15-Y499 VanDerWaalsContact CE1-CB 3.49Å; H15-Y499 WeakPolarHBondContact CE1-CB 3.04Å; H15-Y499 AromaticContact CE1-CD2 3.53Å; H15-Y499 AromaticContact CE1-CG 3.58Å; H15-Y499 WeakPolarHBondContact ND1-CB 3.27Å; H15-Y499 AromaticContact ND1-CG 3.86Å; H15-Y499 AromaticContact NE2-CD2 3.89Å; H15-Y499 AromaticContact NE2-CG 3.68Å; S495-Y499 PolarHBondContact OG-N 3.14Å; E496-Y499 PolarHBondContact O-N 3.39Å; Y499-A501 CarbonylContact O-C 3.57Å; Y499-A501 PolarHBondContact O-N 3.45Å; Y499-A501 VanDerWaalsContact O-N 3.09Å; Y499-F502 VanDerWaalsContact C-N 3.28Å; Y499-F502 CarbonylContact O-C 3.55Å; Y499-F502 WeakPolarHBondContact O-CA 3.18Å; Y499-F502 PolarHBondContact O-N 2.73Å; Y499-F502 VanDerWaalsContact O-O 3.05Å; Y499-V503 WeakPolarHBondContact O-CG2 3.23Å |
| 500 | K | 42.1 | Very low | 60.2 | Low | 99 Ų | 99 | 42 Ų | 42 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.4 | 168.4 | -54.1 | -169.4 | -160.9 | 103.1 | 0 | 112.5 | S498 V503 W2183 | S498-K500 PolarHBondContact O-N 2.92Å; K500-V503 VanDerWaalsContact C-CG2 3.46Å; K500-V503 WeakPolarHBondContact O-CG2 3.37Å; K500-W2183 HydrophobicContact CD-CB 4.38Å; K500-W2183 PolarHBondContact NZ-O 3.49Å |
| 501 | A | 43.7 | Very low | 60.1 | Low | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -55.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 103 | S498 Y499 V503 I1938 T2029 V2030 | S498-A501 CarbonylContact O-C 3.49Å; S498-A501 WeakPolarHBondContact O-CA 3.1Å; S498-A501 WeakPolarHBondContact O-CB 3.24Å; S498-A501 PolarHBondContact O-N 3.43Å; Y499-A501 CarbonylContact O-C 3.57Å; Y499-A501 PolarHBondContact O-N 3.45Å; Y499-A501 VanDerWaalsContact O-N 3.09Å; A501-V503 PolarHBondContact O-N 3.08Å; A501-I1938 HydrophobicContact CB-CD1 4.14Å; A501-I1938 HydrophobicContact CB-CG1 3.52Å; A501-T2029 CarbonylContact C-O 3.51Å; A501-T2029 WeakPolarHBondContact CA-O 3.43Å; A501-T2029 WeakPolarHBondContact CB-O 3.48Å; A501-T2029 CarbonylContact O-C 3.59Å; A501-T2029 WeakPolarHBondContact O-CB 3.35Å; A501-T2029 WeakPolarHBondContact O-CG2 3.3Å; A501-V2030 VanDerWaalsContact CA-CA 3.43Å; A501-V2030 HydrophobicContact CB-CB 3.65Å; A501-V2030 HydrophobicContact CB-CG2 3.15Å; A501-V2030 PolarHBondContact O-N 2.83Å |
| 502 | F | 48.5 | Very low | 60 | Low | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -73 | 81.6 | 176.3 | -87 | -74.5 | 0 | 0 | 0 | 117.7 | T394 T395 A396 T397 F431 S498 Y499 P507 Q2028 T2029 | T394-F502 HydrophobicContact CG2-CE2 4.41Å; T394-F502 HydrophobicContact CG2-CZ 4.03Å; T395-F502 WeakPolarHBondContact O-CE2 3.42Å; T395-F502 WeakPolarHBondContact O-CZ 3.41Å; A396-F502 HydrophobicContact CB-CE1 4.4Å; A396-F502 HydrophobicContact CB-CZ 4.12Å; T397-F502 HydrophobicContact CG2-CD1 4.34Å; T397-F502 HydrophobicContact CG2-CE1 3.64Å; F431-F502 AromaticContact CD1-CE2 3.89Å; F431-F502 HydrophobicContact CD1-CE2 3.89Å; F431-F502 AromaticContact CE1-CD2 3.12Å; F431-F502 HydrophobicContact CE1-CD2 3.12Å; F431-F502 AromaticContact CE1-CE2 3Å; F431-F502 HydrophobicContact CE1-CE2 3Å; F431-F502 HydrophobicContact CE1-CZ 4.4Å; F431-F502 AromaticContact CZ-CD2 3.5Å; F431-F502 HydrophobicContact CZ-CD2 3.5Å; F431-F502 AromaticContact CZ-CE2 3.91Å; F431-F502 HydrophobicContact CZ-CE2 3.91Å; F431-F502 HydrophobicContact CZ-CG 4.39Å; S498-F502 PolarHBondContact O-N 2.72Å; Y499-F502 VanDerWaalsContact C-N 3.28Å; Y499-F502 CarbonylContact O-C 3.55Å; Y499-F502 WeakPolarHBondContact O-CA 3.18Å; Y499-F502 PolarHBondContact O-N 2.73Å; Y499-F502 VanDerWaalsContact O-O 3.05Å; F502-P507 HydrophobicContact CE1-CG 4.23Å; F502-Q2028 HydrophobicContact CD2-CB 4.23Å; F502-Q2028 WeakPolarHBondContact CE1-O 3.41Å; F502-Q2028 HydrophobicContact CE2-CB 3.63Å; F502-Q2028 HydrophobicContact CZ-CB 4.14Å; F502-Q2028 WeakPolarHBondContact CZ-O 3.49Å; F502-T2029 VanDerWaalsContact CA-C 3.47Å; F502-T2029 VanDerWaalsContact CA-OG1 3.24Å; F502-T2029 WeakPolarHBondContact CA-OG1 3.36Å; F502-T2029 HydrophobicContact CD1-CG2 4.14Å; F502-T2029 WeakPolarHBondContact CD1-OG1 3.34Å; F502-T2029 WeakPolarHBondContact CD2-O 3.38Å; F502-T2029 HydrophobicContact CE1-CG2 4.2Å; F502-T2029 WeakPolarHBondContact CE1-OG1 3.34Å; F502-T2029 WeakPolarHBondContact CE2-O 3.09Å; F502-T2029 WeakPolarHBondContact CG-O 3.41Å; F502-T2029 WeakPolarHBondContact CG-OG1 3.28Å; F502-T2029 VanDerWaalsContact CZ-C 3.4Å; F502-T2029 VanDerWaalsContact CZ-CB 3.44Å; F502-T2029 PolarHBondContact N-O 3.18Å |
| 503 | V | 41.9 | Very low | 60.2 | Low | 96 Ų | 96 | 39.6 Ų | 39.6 | 58% | 0.582 | 19% | 0.188 | S | C | * | . | trans | -137.7 | 2.9 | -174 | -157.5 | 0 | 0 | 0 | 0 | 116.2 | Y499 K500 A501 T2029 | Y499-V503 WeakPolarHBondContact O-CG2 3.23Å; K500-V503 VanDerWaalsContact C-CG2 3.46Å; K500-V503 WeakPolarHBondContact O-CG2 3.37Å; A501-V503 PolarHBondContact O-N 3.08Å; V503-T2029 PolarHBondContact N-OG1 3.42Å; V503-T2029 VanDerWaalsContact N-OG1 3.11Å | ||
| 504 | R | 43 | Very low | 60.5 | Low | 85 Ų | 85 | 41.5 Ų | 41.5 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -136.6 | -16.4 | -168.7 | -83.3 | 179.9 | 165.2 | 152 | -5.1 | 121.7 | Q2013 T2029 S2031 W2033 | R504-Q2013 VanDerWaalsContact CB-OE1 3.25Å; R504-T2029 PolarHBondContact N-OG1 3.01Å; R504-S2031 PolarHBondContact NH1-OG 3.19Å; R504-W2033 VanDerWaalsContact NH1-CZ2 3.34Å |
| 505 | N | 49.7 | Very low | 61 | Low | 74 Ų | 74 | 38.5 Ų | 38.5 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | trans | -163.7 | 123.6 | 150.5 | -55.3 | -71.5 | 0 | 0 | 0 | 104.8 | T397 D398 Q2015 | T397-N505 WeakPolarHBondContact CB-O 3.48Å; T397-N505 HydrophobicContact CG2-CB 4.34Å; T397-N505 WeakPolarHBondContact CG2-O 3.44Å; T397-N505 WeakPolarHBondContact OG1-CA 3.45Å; T397-N505 WeakPolarHBondContact OG1-CB 3.5Å; T397-N505 VanDerWaalsContact OG1-CG 3.29Å; T397-N505 PolarHBondContact OG1-N 2.81Å; T397-N505 PolarHBondContact OG1-ND2 2.76Å; D398-N505 PolarHBondContact OD1-ND2 3.06Å; N505-Q2015 PolarHBondContact O-NE2 2.9Å | ||
| 506 | I | 60.5 | Low | 61.5 | Low | 52 Ų | 52 | 41.2 Ų | 41.2 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | trans | -73.6 | 145.2 | 173.1 | -53 | 174.9 | 0 | 0 | 0 | 107.5 | E492 I493 H508 Q2015 | E492-I506 HydrophobicContact CG-CB 4.22Å; E492-I506 HydrophobicContact CG-CG2 3.55Å; E492-I506 WeakPolarHBondContact OE1-CB 3.37Å; I493-I506 WeakPolarHBondContact O-CG2 3.35Å; I506-H508 PolarHBondContact O-CD2 2.89Å; I506-H508 PolarHBondContact O-NE2 2.89Å; I506-Q2015 PolarHBondContact O-NE2 3.45Å | ||
| 507 | P | 64.6 | Low | 62.2 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -80.9 | 172.8 | -178.1 | -5.6 | 18 | 0 | 0 | 0 | 115.9 | F502 Q2015 N2027 Q2028 | F502-P507 HydrophobicContact CE1-CG 4.23Å; P507-Q2015 VanDerWaalsContact CA-OE1 3.27Å; P507-Q2015 HydrophobicContact CB-CB 3.48Å; P507-Q2015 VanDerWaalsContact CB-CB 3.48Å; P507-Q2015 HydrophobicContact CB-CG 3.68Å; P507-Q2015 HydrophobicContact CG-CB 3.5Å; P507-Q2015 VanDerWaalsContact CG-CB 3.5Å; P507-Q2015 VanDerWaalsContact CG-CD 3.5Å; P507-Q2015 HydrophobicContact CG-CG 3.57Å; P507-N2027 HydrophobicContact CB-CB 3.36Å; P507-N2027 VanDerWaalsContact CB-CG 3.5Å; P507-N2027 VanDerWaalsContact CD-O 3.3Å; P507-N2027 WeakPolarHBondContact CD-O 3.47Å; P507-N2027 HydrophobicContact CG-CB 3.5Å; P507-N2027 VanDerWaalsContact CG-CB 3.5Å; P507-N2027 WeakPolarHBondContact O-CB 3.47Å; P507-N2027 PolarHBondContact O-ND2 2.77Å; P507-Q2028 WeakPolarHBondContact CG-O 3.42Å | ||
| 508 | H | 70.8 | Confident | 62.9 | Low | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | trans | -130.3 | 133 | -179 | -65.1 | -84 | 0 | 0 | 0 | 111.9 | F442 E490 I506 F510 N2027 | F442-H508 AromaticContact CD1-CE1 3.89Å; F442-H508 AromaticContact CD1-ND1 3.7Å; F442-H508 AromaticContact CD2-CE1 3.86Å; F442-H508 AromaticContact CE1-CE1 3.68Å; F442-H508 AromaticContact CE1-ND1 3.81Å; F442-H508 AromaticContact CE2-CE1 3.66Å; F442-H508 AromaticContact CG-CE1 3.96Å; F442-H508 AromaticContact CG-ND1 3.93Å; F442-H508 AromaticContact CZ-CE1 3.56Å; E490-H508 WeakPolarHBondContact OE1-CB 3.31Å; E490-H508 IonicContact OE1-CE1 3.1Å; E490-H508 IonicContact OE1-CG 2.65Å; E490-H508 VanDerWaalsContact OE1-CG 3.3Å; E490-H508 IonicContact OE1-ND1 2.9Å; E490-H508 PolarHBondContact OE1-ND1 2.82Å; I506-H508 PolarHBondContact O-CD2 2.89Å; I506-H508 PolarHBondContact O-NE2 2.89Å; H508-F510 HydrophobicContact CB-CE2 3.68Å; H508-F510 HydrophobicContact CB-CZ 3.94Å; H508-N2027 WeakPolarHBondContact CA-ND2 3.41Å; H508-N2027 PolarHBondContact N-ND2 2.7Å | ||
| 509 | V | 72.2 | Confident | 63.7 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 141.9 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | F424 V427 E490 F491 I493 I511 K2017 D2026 N2027 | F424-V509 HydrophobicContact CD1-CG1 3.95Å; F424-V509 HydrophobicContact CE1-CG1 4.26Å; V427-V509 HydrophobicContact CG2-CG2 4.45Å; E490-V509 VanDerWaalsContact CA-O 3.24Å; E490-V509 WeakPolarHBondContact CA-O 3.46Å; E490-V509 WeakPolarHBondContact CG-O 3.41Å; F491-V509 HydrophobicContact CB-CB 3.94Å; F491-V509 HydrophobicContact CB-CG2 3.77Å; F491-V509 HydrophobicContact CD2-CB 4.13Å; F491-V509 HydrophobicContact CD2-CG1 3.88Å; F491-V509 PolarHBondContact O-N 3.32Å; F491-V509 VanDerWaalsContact O-N 3.13Å; I493-V509 HydrophobicContact CD1-CG2 3.7Å; V509-I511 HydrophobicContact CG1-CD1 4.45Å; V509-I511 HydrophobicContact CG1-CG1 4.01Å; V509-K2017 HydrophobicContact CG2-CD 3.77Å; V509-K2017 HydrophobicContact CG2-CG 4.18Å; V509-D2026 VanDerWaalsContact CG2-OD1 3.32Å; V509-D2026 WeakPolarHBondContact CG2-OD1 3.44Å; V509-N2027 WeakPolarHBondContact CG2-ND2 3.37Å; V509-N2027 WeakPolarHBondContact CG2-OD1 3.25Å; V509-N2027 PolarHBondContact N-ND2 3.08Å |
| 510 | F | 79.8 | Confident | 64.8 | Low | 59 Ų | 59 | 46.5 Ų | 46.5 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.1 | 167.3 | -61.2 | -89.1 | 0 | 0 | 0 | 111.2 | L404 K406 E490 H508 | L404-F510 HydrophobicContact CD2-CD2 3.65Å; L404-F510 HydrophobicContact CD2-CE2 3.79Å; K406-F510 HydrophobicContact CG-CB 4.48Å; E490-F510 HydrophobicContact CB-CE1 4.39Å; E490-F510 VanDerWaalsContact CD-CZ 3.44Å; E490-F510 HydrophobicContact CG-CD1 3.93Å; E490-F510 HydrophobicContact CG-CE1 3.51Å; E490-F510 HydrophobicContact CG-CE2 4.41Å; E490-F510 HydrophobicContact CG-CZ 3.77Å; E490-F510 WeakPolarHBondContact OE1-CZ 3.29Å; E490-F510 WeakPolarHBondContact OE2-CE1 3.32Å; H508-F510 HydrophobicContact CB-CE2 3.68Å; H508-F510 HydrophobicContact CB-CZ 3.94Å |
| 511 | I | 83.4 | Confident | 66 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.9 | 169.7 | -57.3 | 179.2 | 0 | 0 | 0 | 107.9 | L409 L419 H423 F424 E488 M489 F491 V509 | L409-I511 HydrophobicContact CB-CG2 4.04Å; L409-I511 HydrophobicContact CD1-CG2 3.88Å; L419-I511 HydrophobicContact CD2-CD1 3.98Å; H423-I511 HydrophobicContact CB-CD1 4.11Å; H423-I511 WeakPolarHBondContact O-CD1 3.44Å; H423-I511 WeakPolarHBondContact O-CG1 3.34Å; F424-I511 HydrophobicContact CD1-CD1 3.58Å; F424-I511 HydrophobicContact CD1-CG1 4.48Å; F424-I511 HydrophobicContact CD2-CD1 3.57Å; F424-I511 HydrophobicContact CE1-CD1 3.52Å; F424-I511 HydrophobicContact CE2-CD1 3.56Å; F424-I511 HydrophobicContact CG-CD1 3.64Å; F424-I511 HydrophobicContact CZ-CD1 3.54Å; E488-I511 WeakPolarHBondContact CA-O 3.24Å; M489-I511 HydrophobicContact CE-CB 3.98Å; M489-I511 HydrophobicContact CE-CD1 4.06Å; M489-I511 HydrophobicContact CE-CG2 3.72Å; M489-I511 HydrophobicContact CG-CB 4.04Å; M489-I511 PolarHBondContact N-O 3.14Å; M489-I511 PolarHBondContact O-N 2.76Å; M489-I511 VanDerWaalsContact O-N 3.08Å; F491-I511 HydrophobicContact CE2-CD1 4.33Å; V509-I511 HydrophobicContact CG1-CD1 4.45Å; V509-I511 HydrophobicContact CG1-CG1 4.01Å |
| 512 | L | 81.7 | Confident | 67.3 | Low | 25 Ų | 25 | 43.6 Ų | 43.6 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.5 | 160.6 | -69.5 | 174.8 | 0 | 0 | 0 | 108.6 | K406 Q407 L408 L409 E488 | K406-L512 HydrophobicContact CB-CD1 3.73Å; K406-L512 HydrophobicContact CB-CG 3.95Å; K406-L512 HydrophobicContact CD-CD1 3.67Å; K406-L512 HydrophobicContact CD-CD2 3.9Å; K406-L512 HydrophobicContact CD-CG 3.72Å; K406-L512 HydrophobicContact CG-CD1 4.34Å; K406-L512 HydrophobicContact CG-CG 4.39Å; Q407-L512 WeakPolarHBondContact O-CA 3.21Å; Q407-L512 WeakPolarHBondContact O-CB 3.42Å; Q407-L512 PolarHBondContact O-N 2.8Å; Q407-L512 VanDerWaalsContact O-O 3.07Å; L408-L512 CarbonylContact C-O 3.57Å; L408-L512 WeakPolarHBondContact CA-O 3.33Å; L408-L512 HydrophobicContact CD1-CB 3.87Å; L408-L512 HydrophobicContact CD1-CD1 3.97Å; L409-L512 WeakPolarHBondContact CB-O 3.44Å; L409-L512 PolarHBondContact N-O 2.86Å; E488-L512 HydrophobicContact CB-CD2 3.84Å; E488-L512 WeakPolarHBondContact OE2-CD2 3.31Å |
| 513 | I | 85.9 | Confident | 68.4 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 139.8 | 158 | -61.8 | 119.3 | 0 | 0 | 0 | 107.5 | L409 V411 Y477 Q486 D487 M489 V515 | L409-I513 HydrophobicContact CD1-CG1 4.33Å; L409-I513 HydrophobicContact CD2-CB 4.13Å; L409-I513 HydrophobicContact CD2-CG1 3.67Å; L409-I513 HydrophobicContact CD2-CG2 3.96Å; L409-I513 HydrophobicContact CG-CG1 4.45Å; L409-I513 CarbonylContact O-C 2.83Å; L409-I513 VanDerWaalsContact O-CA 3.3Å; L409-I513 WeakPolarHBondContact O-CA 3.48Å; V411-I513 HydrophobicContact CG1-CG2 3.51Å; Y477-I513 HydrophobicContact CD1-CG1 4.32Å; Y477-I513 HydrophobicContact CD2-CD1 3.9Å; Y477-I513 HydrophobicContact CE1-CD1 4.14Å; Y477-I513 HydrophobicContact CE1-CG1 4.06Å; Y477-I513 HydrophobicContact CE1-CG2 3.96Å; Y477-I513 HydrophobicContact CE2-CD1 3.47Å; Y477-I513 VanDerWaalsContact CE2-CD1 3.47Å; Y477-I513 HydrophobicContact CE2-CG1 4.26Å; Y477-I513 HydrophobicContact CG-CD1 4.4Å; Q486-I513 WeakPolarHBondContact CA-O 3.48Å; D487-I513 HydrophobicContact CB-CB 4.07Å; D487-I513 HydrophobicContact CB-CD1 3.95Å; D487-I513 HydrophobicContact CB-CG2 4.49Å; D487-I513 PolarHBondContact N-O 3.29Å; D487-I513 VanDerWaalsContact N-O 3.11Å; D487-I513 PolarHBondContact O-N 2.89Å; M489-I513 HydrophobicContact CE-CD1 3.74Å; M489-I513 HydrophobicContact CE-CG1 4.16Å; M489-I513 HydrophobicContact CG-CD1 4.34Å; M489-I513 HydrophobicContact SD-CD1 4.28Å; I513-V515 HydrophobicContact CG2-CG2 3.92Å |
| 514 | N | 80.6 | Confident | 69.9 | Low | 40 Ų | 40 | 42.6 Ų | 42.6 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.6 | 170.1 | 178.6 | 98.7 | 0 | 0 | 0 | 107.8 | L408 L409 N410 V411 Q485 | L408-N514 HydrophobicContact CD1-CB 3.86Å; L408-N514 HydrophobicContact CD2-CB 3.96Å; L408-N514 HydrophobicContact CG-CB 3.76Å; L409-N514 PolarHBondContact O-N 3.36Å; N410-N514 WeakPolarHBondContact CA-O 3.39Å; V411-N514 PolarHBondContact N-O 3.43Å; Q485-N514 WeakPolarHBondContact O-CA 3.47Å |
| 515 | V | 79.2 | Confident | 71.1 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.7 | -169.6 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | V411 H479 T484 Q485 I513 | V411-V515 HydrophobicContact CG1-CG2 3.99Å; V411-V515 CarbonylContact O-C 3.1Å; V411-V515 VanDerWaalsContact O-CA 3.29Å; V411-V515 WeakPolarHBondContact O-CA 3.43Å; H479-V515 WeakPolarHBondContact CE1-CG1 3.38Å; T484-V515 VanDerWaalsContact O-CB 3.26Å; T484-V515 WeakPolarHBondContact O-CB 3.27Å; T484-V515 VanDerWaalsContact O-CG1 3.3Å; T484-V515 WeakPolarHBondContact O-CG1 3.44Å; Q485-V515 PolarHBondContact O-N 2.9Å; I513-V515 HydrophobicContact CG2-CG2 3.92Å |
| 516 | N | 69.9 | Low | 72.2 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.2 | 170.6 | -51.6 | -41.8 | 0 | 0 | 0 | 109.1 | V411 D412 E413 | V411-N516 PolarHBondContact O-N 2.94Å; D412-N516 PolarHBondContact OD1-ND2 3.26Å; E413-N516 PolarHBondContact N-O 3.14Å |
| 517 | S | 68.2 | Low | 72.3 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | trans | -60.6 | 143.2 | 166.4 | -77.6 | 0 | 0 | 0 | 0 | 111.1 | E483 | E483-S517 WeakPolarHBondContact OE2-CB 3.36Å; E483-S517 PolarHBondContact OE2-OG 3.41Å | ||
| 518 | L | 67.8 | Low | 72 | Confident | 90 Ų | 90 | 45 Ų | 45 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | trans | -113 | 140.2 | 169.1 | -69.3 | 169.3 | 0 | 0 | 0 | 107.5 | D412 D520 | D412-L518 HydrophobicContact CB-CD1 4.3Å; L518-D520 PolarHBondContact O-N 2.78Å | ||
| 519 | N | 64.2 | Low | 71.5 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | trans | -71.7 | 120.2 | -177.5 | -162.6 | 131.9 | 0 | 0 | 0 | 109.6 | D553 | N519-D553 WeakPolarHBondContact CA-OD2 3.4Å; N519-D553 PolarHBondContact ND2-OD2 2.81Å | ||
| 520 | D | 63.8 | Low | 71.3 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | trans | -112.3 | -155.7 | -176.1 | -113.6 | 21.2 | 0 | 0 | 0 | 109.9 | L518 K523 D553 | L518-D520 PolarHBondContact O-N 2.78Å; D520-K523 WeakPolarHBondContact OD2-CE 3.5Å; D520-K523 IonicContact OD2-NZ 2.68Å; D520-K523 PolarHBondContact OD2-NZ 3.06Å; D520-D553 PolarHBondContact N-OD2 2.93Å | ||
| 521 | A | 65.9 | Low | 71 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | trans | -126.2 | 144.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K523 | A521-K523 PolarHBondContact O-N 2.79Š| ||
| 522 | P | 71.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -56.3 | 100.7 | -160.2 | 14.7 | -30.8 | 0 | 0 | 0 | 113.4 | V524 I549 D551 V612 D614 | P522-V524 PolarHBondContact O-N 2.68Å; P522-I549 HydrophobicContact CB-CG2 3.7Å; P522-D551 WeakPolarHBondContact CA-OD1 3.39Å; P522-D551 HydrophobicContact CB-CB 3.95Å; P522-D551 VanDerWaalsContact CD-OD1 3.32Å; P522-D551 WeakPolarHBondContact CD-OD1 3.22Å; P522-V612 HydrophobicContact CB-CG1 3.9Å; P522-V612 HydrophobicContact CG-CG1 4.17Å; P522-D614 WeakPolarHBondContact CD-OD1 3.34Å; P522-D614 HydrophobicContact CG-CB 3.99Å; P522-D614 WeakPolarHBondContact CG-OD1 3.15Å | ||
| 523 | K | 71.8 | Confident | 70.3 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 97.4 | -179.2 | -67.6 | 164.2 | -175.2 | 150.9 | 0 | 107.8 | E413 D520 A521 L525 Y550 | E413-K523 IonicContact OE1-NZ 3.61Å; E413-K523 PolarHBondContact OE1-NZ 2.88Å; E413-K523 VanDerWaalsContact OE1-NZ 3.1Å; E413-K523 IonicContact OE2-NZ 2.84Å; D520-K523 WeakPolarHBondContact OD2-CE 3.5Å; D520-K523 IonicContact OD2-NZ 2.68Å; D520-K523 PolarHBondContact OD2-NZ 3.06Å; A521-K523 PolarHBondContact O-N 2.79Å; K523-L525 PolarHBondContact O-N 2.84Å; K523-Y550 HydrophobicContact CD-CD1 4.43Å; K523-Y550 PolarHBondContact N-O 3.46Å; K523-Y550 WeakPolarHBondContact O-CB 3.25Å; K523-Y550 PolarHBondContact O-N 2.98Å |
| 524 | V | 74 | Confident | 69.6 | Low | 20 Ų | 20 | 48.5 Ų | 48.5 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 89.6 | 176.1 | -168.4 | 0 | 0 | 0 | 0 | 110 | P522 L526 F547 N548 V612 V622 | P522-V524 PolarHBondContact O-N 2.68Å; V524-L526 PolarHBondContact O-N 2.97Å; V524-F547 HydrophobicContact CG1-CD2 4.14Å; V524-F547 HydrophobicContact CG1-CE1 4.45Å; V524-F547 HydrophobicContact CG1-CE2 3.4Å; V524-F547 VanDerWaalsContact CG1-CE2 3.4Å; V524-F547 HydrophobicContact CG1-CZ 3.61Å; V524-N548 CarbonylContact C-O 3.58Å; V524-V612 HydrophobicContact CG2-CB 3.75Å; V524-V612 HydrophobicContact CG2-CG1 4.07Å; V524-V612 HydrophobicContact CG2-CG2 3.62Å; V524-V622 HydrophobicContact CB-CG2 3.78Å; V524-V622 HydrophobicContact CG1-CB 4.49Å; V524-V622 HydrophobicContact CG1-CG1 4.35Å; V524-V622 HydrophobicContact CG1-CG2 3.82Å; V524-V622 HydrophobicContact CG2-CG2 4.17Å |
| 525 | L | 68.6 | Low | 69.1 | Low | 86 Ų | 86 | 48.3 Ų | 48.3 | 45% | 0.45 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.4 | 174.3 | -70.4 | 173.3 | 0 | 0 | 0 | 109.5 | K523 P527 N548 Y550 | K523-L525 PolarHBondContact O-N 2.84Å; L525-P527 WeakPolarHBondContact O-CD 3.46Å; L525-N548 HydrophobicContact CB-CB 4.09Å; L525-N548 PolarHBondContact N-O 2.83Å; L525-N548 PolarHBondContact O-N 2.93Å; L525-Y550 HydrophobicContact CD1-CG 4.17Å |
| 526 | L | 71.5 | Confident | 68.8 | Low | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | trans | -99.3 | 96.1 | 170.8 | -66.5 | 165.9 | 0 | 0 | 0 | 108.6 | V524 S528 G529 F547 V622 I624 | V524-L526 PolarHBondContact O-N 2.97Å; L526-S528 PolarHBondContact O-N 2.87Å; L526-G529 PolarHBondContact O-N 2.83Å; L526-F547 HydrophobicContact CD2-CD2 3.78Å; L526-F547 HydrophobicContact CD2-CE2 4.32Å; L526-V622 HydrophobicContact CD1-CG1 3.45Å; L526-V622 VanDerWaalsContact CD1-CG1 3.45Å; L526-V622 HydrophobicContact CD2-CG1 3.9Å; L526-V622 HydrophobicContact CG-CG1 4Å; L526-I624 HydrophobicContact CD2-CD1 3.81Å; L526-I624 HydrophobicContact CD2-CG1 3.9Å | ||
| 527 | P | 62.8 | Low | 69 | Low | 80 Ų | 80 | 55.6 Ų | 55.6 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.8 | -169.8 | -22 | 36.9 | 0 | 0 | 0 | 113.7 | L525 L546 | L525-P527 WeakPolarHBondContact O-CD 3.46Å; P527-L546 WeakPolarHBondContact CD-O 3.46Å |
| 528 | S | 58 | Low | 69 | Low | 49 Ų | 49 | 54.6 Ų | 54.6 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 19.8 | 176.7 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | L526 G530 T531 | L526-S528 PolarHBondContact O-N 2.87Å; S528-G530 PolarHBondContact O-N 3.14Å; S528-T531 WeakPolarHBondContact CB-O 3.45Å; S528-T531 PolarHBondContact O-N 3.01Å |
| 529 | G | 61.5 | Low | 69.5 | Low | 68 Ų | 68 | 53.6 Ų | 53.6 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L526 T531 | L526-G529 PolarHBondContact O-N 2.83Å; G529-T531 PolarHBondContact O-N 2.79Å; G529-T531 VanDerWaalsContact O-N 3.12Å |
| 530 | G | 68.5 | Low | 70 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -4.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S528 I624 S625 | S528-G530 PolarHBondContact O-N 3.14Å; G530-I624 CarbonylContact O-C 3.56Å; G530-I624 WeakPolarHBondContact O-CA 3.09Å; G530-S625 PolarHBondContact O-N 3.13Å |
| 531 | T | 73.2 | Confident | 70.9 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 97.9 | -175.3 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | S528 G529 S625 Q627 | S528-T531 WeakPolarHBondContact CB-O 3.45Å; S528-T531 PolarHBondContact O-N 3.01Å; G529-T531 PolarHBondContact O-N 2.79Å; G529-T531 VanDerWaalsContact O-N 3.12Å; T531-S625 CarbonylContact C-O 3.59Å; T531-S625 WeakPolarHBondContact CA-O 3.48Å; T531-Q627 HydrophobicContact CG2-CB 4.14Å; T531-Q627 HydrophobicContact CG2-CG 3.59Å |
| 532 | L | 74.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 142 | 174.7 | -70.7 | 178.8 | 0 | 0 | 0 | 111 | L546 I598 I624 S625 V626 Q627 | L532-L546 HydrophobicContact CD2-CB 3.98Å; L532-L546 HydrophobicContact CD2-CD2 4.14Å; L532-I598 HydrophobicContact CD1-CD1 3.44Å; L532-I598 VanDerWaalsContact CD1-CD1 3.44Å; L532-I624 HydrophobicContact CB-CG2 4.32Å; L532-I624 HydrophobicContact CD1-CG2 3.61Å; L532-I624 HydrophobicContact CG-CG2 3.6Å; L532-S625 PolarHBondContact N-O 2.73Å; L532-V626 HydrophobicContact CB-CG2 4.3Å; L532-V626 HydrophobicContact CD1-CG2 4.44Å; L532-Q627 PolarHBondContact O-N 2.88Å |
| 533 | H | 74.9 | Confident | 71.8 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 97.9 | -179.3 | -68.6 | -19 | 0 | 0 | 0 | 110.8 | Q627 H629 | H533-Q627 WeakPolarHBondContact CA-O 3.12Å; H533-H629 AromaticContact CG-CD2 3.66Å; H533-H629 AromaticContact ND1-CD2 3.48Å; H533-H629 PolarHBondContact ND1-CD2 2.71Å |
| 534 | L | 71.6 | Confident | 71.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 150.6 | 167.7 | -97.9 | 77.2 | 0 | 0 | 0 | 110.1 | S538 L540 I598 H600 V626 Q627 I628 H629 | L534-S538 WeakPolarHBondContact CD2-O 3.46Å; L534-L540 HydrophobicContact CD1-CB 3.57Å; L534-L540 HydrophobicContact CD1-CD2 3.6Å; L534-L540 HydrophobicContact CD1-CG 4.23Å; L534-L540 HydrophobicContact CD2-CB 4.46Å; L534-L540 HydrophobicContact CG-CB 3.86Å; L534-L540 HydrophobicContact CG-CD2 4.46Å; L534-I598 HydrophobicContact CD1-CG2 4.03Å; L534-H600 HydrophobicContact CD2-CB 3.58Å; L534-V626 HydrophobicContact CD1-CG1 3.82Å; L534-Q627 PolarHBondContact N-O 3.16Å; L534-I628 HydrophobicContact CB-CD1 3.68Å; L534-H629 PolarHBondContact O-N 2.88Å |
| 535 | L | 69.2 | Low | 71.6 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 149 | 161 | -70.5 | 173.9 | 0 | 0 | 0 | 108.8 | H537 S538 A631 A663 | L535-H537 PolarHBondContact O-N 2.95Å; L535-S538 PolarHBondContact N-OG 3.03Å; L535-S538 PolarHBondContact O-N 2.96Å; L535-S538 PolarHBondContact O-OG 2.94Å; L535-A631 HydrophobicContact CD2-CB 4.22Å; L535-A663 HydrophobicContact CD1-CB 4.37Å |
| 536 | Q | 73.4 | Confident | 71.7 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 124.8 | 179.4 | -163.2 | -169 | -45.3 | 0 | 0 | 110.8 | S538 I628 H629 | Q536-S538 VanDerWaalsContact C-N 3.3Å; Q536-S538 PolarHBondContact O-N 3.23Å; Q536-I628 HydrophobicContact CB-CG2 3.84Å; Q536-I628 HydrophobicContact CG-CG2 4.09Å; Q536-H629 PolarHBondContact N-O 3.02Å; Q536-H629 VanDerWaalsContact N-O 3.17Å |
| 537 | H | 73.8 | Confident | 72 | Confident | 142 Ų | 142 | 48.3 Ų | 48.3 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 18.6 | -174.7 | -48.9 | -66.2 | 0 | 0 | 0 | 116.4 | L535 H600 | L535-H537 PolarHBondContact O-N 2.95Å; H537-H600 PolarHBondContact N-ND1 3.2Å |
| 538 | S | 69.6 | Low | 72.6 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | trans | -89.1 | 160.5 | 165.9 | 85.2 | 0 | 0 | 0 | 0 | 111.7 | L534 L535 Q536 | L534-S538 WeakPolarHBondContact CD2-O 3.46Å; L535-S538 PolarHBondContact N-OG 3.03Å; L535-S538 PolarHBondContact O-N 2.96Å; L535-S538 PolarHBondContact O-OG 2.94Å; Q536-S538 VanDerWaalsContact C-N 3.3Å; Q536-S538 PolarHBondContact O-N 3.23Å | ||
| 539 | S | 77.7 | Confident | 73.6 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 168.4 | 149.5 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | I598 | S539-I598 CarbonylContact C-O 3.4Å; S539-I598 WeakPolarHBondContact CA-O 2.84Å |
| 540 | L | 75.4 | Confident | 74.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 108.1 | 173.2 | -174 | 67.6 | 0 | 0 | 0 | 107.8 | L534 M542 L546 I598 A663 | L534-L540 HydrophobicContact CD1-CB 3.57Å; L534-L540 HydrophobicContact CD1-CD2 3.6Å; L534-L540 HydrophobicContact CD1-CG 4.23Å; L534-L540 HydrophobicContact CD2-CB 4.46Å; L534-L540 HydrophobicContact CG-CB 3.86Å; L534-L540 HydrophobicContact CG-CD2 4.46Å; L540-M542 PolarHBondContact O-N 2.75Å; L540-L546 HydrophobicContact CD1-CD1 3.76Å; L540-L546 HydrophobicContact CD2-CD1 3.73Å; L540-L546 HydrophobicContact CD2-CD2 4.11Å; L540-L546 HydrophobicContact CG-CD1 3.55Å; L540-I598 PolarHBondContact N-O 2.83Å; L540-I598 PolarHBondContact O-N 2.82Å; L540-A663 HydrophobicContact CD1-CB 4.07Å |
| 541 | K | 82.3 | Confident | 74.3 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 127.4 | 170.8 | -74.9 | -152.3 | 161.4 | -155.5 | 0 | 108.6 | T543 L546 E576 K594 I596 | K541-T543 HydrophobicContact CB-CG2 4.31Å; K541-T543 PolarHBondContact O-N 2.83Å; K541-T543 VanDerWaalsContact O-N 3.16Å; K541-L546 WeakPolarHBondContact O-CD1 3.33Å; K541-E576 IonicContact NZ-OE1 3.62Å; K541-E576 PolarHBondContact NZ-OE1 3.41Å; K541-E576 IonicContact NZ-OE2 3.84Å; K541-E576 PolarHBondContact NZ-OE2 3.07Å; K541-K594 HydrophobicContact CD-CB 4.2Å; K541-K594 WeakPolarHBondContact CD-O 3.38Å; K541-K594 WeakPolarHBondContact CE-O 3.35Å; K541-K594 PolarHBondContact NZ-O 3.13Å; K541-I596 CarbonylContact C-O 3.56Å; K541-I596 WeakPolarHBondContact CA-O 3.47Å |
| 542 | M | 79.6 | Confident | 74 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | trans | -68.2 | 114.7 | 168.6 | -68.7 | -173.3 | 75.1 | 0 | 0 | 107.4 | L540 F547 I573 F586 I591 I596 I598 L610 | L540-M542 PolarHBondContact O-N 2.75Å; M542-F547 HydrophobicContact CE-CB 3.85Å; M542-F547 HydrophobicContact CE-CD1 4.23Å; M542-F547 HydrophobicContact CE-CD2 4.47Å; M542-F547 HydrophobicContact CE-CG 3.94Å; M542-I573 HydrophobicContact SD-CG2 4.3Å; M542-F586 HydrophobicContact SD-CZ 4.39Å; M542-I591 HydrophobicContact CB-CD1 4.23Å; M542-I591 HydrophobicContact CB-CG1 4.12Å; M542-I591 HydrophobicContact CE-CD1 3.79Å; M542-I591 HydrophobicContact SD-CD1 4.44Å; M542-I596 HydrophobicContact CB-CB 4.15Å; M542-I596 HydrophobicContact CB-CG2 4.09Å; M542-I596 HydrophobicContact CG-CG2 4.06Å; M542-I596 PolarHBondContact N-O 2.88Å; M542-I596 HydrophobicContact SD-CG2 3.62Å; M542-I598 HydrophobicContact CE-CD1 4.39Å; M542-I598 HydrophobicContact CG-CD1 3.63Å; M542-I598 HydrophobicContact CG-CG1 3.77Å; M542-I598 HydrophobicContact SD-CD1 3.78Å; M542-I598 HydrophobicContact SD-CG1 3.95Å; M542-L610 HydrophobicContact CE-CD1 4.33Å | ||
| 543 | T | 76.3 | Confident | 73.6 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | trans | -120.7 | 167.7 | 174.2 | 64.3 | 0 | 0 | 0 | 0 | 109.5 | K541 D545 L546 F547 K594 | K541-T543 HydrophobicContact CB-CG2 4.31Å; K541-T543 PolarHBondContact O-N 2.83Å; K541-T543 VanDerWaalsContact O-N 3.16Å; T543-D545 WeakPolarHBondContact CB-OD2 3.45Å; T543-D545 PolarHBondContact O-N 2.91Å; T543-D545 WeakPolarHBondContact OG1-CB 3.35Å; T543-D545 PolarHBondContact OG1-N 3.01Å; T543-D545 PolarHBondContact OG1-OD2 2.62Å; T543-L546 PolarHBondContact O-N 3.33Å; T543-F547 PolarHBondContact O-N 2.89Å; T543-K594 HydrophobicContact CG2-CD 3.92Å; T543-K594 HydrophobicContact CG2-CG 4.15Å | ||
| 544 | K | 71.7 | Confident | 73.5 | Confident | 101 Ų | 101 | 42 Ų | 42 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.1 | 171 | -169.9 | 169.2 | -172.5 | 177.8 | 0 | 113.4 | L546 N548 W588 L592 | K544-L546 VanDerWaalsContact C-N 3.31Å; K544-L546 PolarHBondContact O-N 3.36Å; K544-N548 WeakPolarHBondContact CE-OD1 3.31Å; K544-N548 HydrophobicContact CG-CB 4.4Å; K544-N548 VanDerWaalsContact CG-OD1 3.29Å; K544-N548 WeakPolarHBondContact CG-OD1 3.2Å; K544-N548 WeakPolarHBondContact O-CB 3.02Å; K544-W588 HydrophobicContact CB-CH2 4.03Å; K544-W588 HydrophobicContact CB-CZ2 4.47Å; K544-W588 HydrophobicContact CD-CH2 4.48Å; K544-W588 HydrophobicContact CD-CZ2 4.09Å; K544-W588 HydrophobicContact CG-CH2 3.86Å; K544-W588 HydrophobicContact CG-CZ2 3.95Å; K544-L592 HydrophobicContact CB-CD2 4.36Å; K544-L592 HydrophobicContact CD-CD2 4.02Å |
| 545 | D | 69.4 | Low | 73.6 | Confident | 107 Ų | 107 | 46.1 Ų | 46.1 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.7 | 179.6 | -35 | -70.2 | 0 | 0 | 0 | 113.4 | T543 | T543-D545 WeakPolarHBondContact CB-OD2 3.45Å; T543-D545 PolarHBondContact O-N 2.91Å; T543-D545 WeakPolarHBondContact OG1-CB 3.35Å; T543-D545 PolarHBondContact OG1-N 3.01Å; T543-D545 PolarHBondContact OG1-OD2 2.62Å |
| 546 | L | 71 | Confident | 74.1 | Confident | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -34.6 | -170.8 | -65.8 | 165.9 | 0 | 0 | 0 | 112.9 | P527 L532 L540 K541 T543 K544 | P527-L546 WeakPolarHBondContact CD-O 3.46Å; L532-L546 HydrophobicContact CD2-CB 3.98Å; L532-L546 HydrophobicContact CD2-CD2 4.14Å; L540-L546 HydrophobicContact CD1-CD1 3.76Å; L540-L546 HydrophobicContact CD2-CD1 3.73Å; L540-L546 HydrophobicContact CD2-CD2 4.11Å; L540-L546 HydrophobicContact CG-CD1 3.55Å; K541-L546 WeakPolarHBondContact O-CD1 3.33Å; T543-L546 PolarHBondContact O-N 3.33Å; K544-L546 VanDerWaalsContact C-N 3.31Å; K544-L546 PolarHBondContact O-N 3.36Å |
| 547 | F | 77.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -141.9 | 109.3 | 174.4 | 178.4 | -92.3 | 0 | 0 | 0 | 106.2 | V524 L526 M542 T543 I549 I561 W588 I591 L610 V612 V622 I624 | V524-F547 HydrophobicContact CG1-CD2 4.14Å; V524-F547 HydrophobicContact CG1-CE1 4.45Å; V524-F547 HydrophobicContact CG1-CE2 3.4Å; V524-F547 VanDerWaalsContact CG1-CE2 3.4Å; V524-F547 HydrophobicContact CG1-CZ 3.61Å; L526-F547 HydrophobicContact CD2-CD2 3.78Å; L526-F547 HydrophobicContact CD2-CE2 4.32Å; M542-F547 HydrophobicContact CE-CB 3.85Å; M542-F547 HydrophobicContact CE-CD1 4.23Å; M542-F547 HydrophobicContact CE-CD2 4.47Å; M542-F547 HydrophobicContact CE-CG 3.94Å; T543-F547 PolarHBondContact O-N 2.89Å; F547-I549 HydrophobicContact CD1-CG1 4.4Å; F547-I549 HydrophobicContact CE1-CD1 3.81Å; F547-I549 HydrophobicContact CE1-CG1 3.64Å; F547-I549 HydrophobicContact CZ-CD1 4.4Å; F547-I549 HydrophobicContact CZ-CG1 4.18Å; F547-I561 HydrophobicContact CE1-CD1 3.88Å; F547-I561 HydrophobicContact CZ-CG2 4.49Å; F547-W588 HydrophobicContact CD1-CZ3 4.19Å; F547-W588 VanDerWaalsContact O-CH2 3.29Å; F547-W588 WeakPolarHBondContact O-CH2 3.08Å; F547-W588 VanDerWaalsContact O-CZ3 3.23Å; F547-W588 WeakPolarHBondContact O-CZ3 3.46Å; F547-I591 HydrophobicContact CD1-CD1 3.59Å; F547-I591 HydrophobicContact CE1-CD1 4.12Å; F547-I591 HydrophobicContact CG-CD1 4.47Å; F547-L610 HydrophobicContact CD2-CD1 4.1Å; F547-L610 HydrophobicContact CE2-CD1 3.58Å; F547-L610 HydrophobicContact CZ-CD1 3.83Å; F547-V612 HydrophobicContact CZ-CG2 3.94Å; F547-V622 HydrophobicContact CE2-CG1 4.37Å; F547-I624 HydrophobicContact CD2-CD1 3.69Å; F547-I624 HydrophobicContact CE2-CD1 4.03Å |
| 548 | N | 76.6 | Confident | 74.8 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113.9 | -176.3 | -176.6 | 33.1 | 0 | 0 | 0 | 109.5 | V524 L525 K544 | V524-N548 CarbonylContact C-O 3.58Å; L525-N548 HydrophobicContact CB-CB 4.09Å; L525-N548 PolarHBondContact N-O 2.83Å; L525-N548 PolarHBondContact O-N 2.93Å; K544-N548 WeakPolarHBondContact CE-OD1 3.31Å; K544-N548 HydrophobicContact CG-CB 4.4Å; K544-N548 VanDerWaalsContact CG-OD1 3.29Å; K544-N548 WeakPolarHBondContact CG-OD1 3.2Å; K544-N548 WeakPolarHBondContact O-CB 3.02Å |
| 549 | I | 77.8 | Confident | 75.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.1 | 162.8 | -56 | 168.7 | 0 | 0 | 0 | 107 | P522 F547 D551 I559 I561 W588 V612 | P522-I549 HydrophobicContact CB-CG2 3.7Å; F547-I549 HydrophobicContact CD1-CG1 4.4Å; F547-I549 HydrophobicContact CE1-CD1 3.81Å; F547-I549 HydrophobicContact CE1-CG1 3.64Å; F547-I549 HydrophobicContact CZ-CD1 4.4Å; F547-I549 HydrophobicContact CZ-CG1 4.18Å; I549-D551 HydrophobicContact CG2-CB 4.27Å; I549-I559 HydrophobicContact CD1-CG2 3.69Å; I549-I559 HydrophobicContact CG2-CD1 4.43Å; I549-I559 HydrophobicContact CG2-CG2 3.99Å; I549-I561 HydrophobicContact CD1-CD1 3.58Å; I549-I561 HydrophobicContact CD1-CG1 3.7Å; I549-W588 HydrophobicContact CB-CD2 3.91Å; I549-W588 HydrophobicContact CB-CE3 4.14Å; I549-W588 HydrophobicContact CB-CG 4.28Å; I549-W588 HydrophobicContact CB-CZ2 4.39Å; I549-W588 HydrophobicContact CD1-CB 4.17Å; I549-W588 HydrophobicContact CD1-CD2 4.11Å; I549-W588 HydrophobicContact CD1-CE3 3.91Å; I549-W588 HydrophobicContact CD1-CG 4.23Å; I549-W588 HydrophobicContact CG1-CD2 4.24Å; I549-W588 HydrophobicContact CG1-CE3 4Å; I549-W588 HydrophobicContact CG1-CZ3 4.38Å; I549-W588 WeakPolarHBondContact O-CZ2 3.15Å; I549-W588 PolarHBondContact O-NE1 2.87Å; I549-V612 HydrophobicContact CD1-CB 4.4Å; I549-V612 HydrophobicContact CD1-CG1 3.6Å; I549-V612 HydrophobicContact CD1-CG2 3.84Å; I549-V612 HydrophobicContact CG1-CG1 4.06Å; I549-V612 HydrophobicContact CG1-CG2 4.23Å; I549-V612 HydrophobicContact CG2-CG1 3.97Å |
| 550 | Y | 72.9 | Confident | 75.8 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 100.1 | 178.7 | -157 | -106.5 | 0 | 0 | 0 | 108.7 | E483 K523 L525 | E483-Y550 WeakPolarHBondContact CA-OH 3.41Å; E483-Y550 HydrophobicContact CB-CE1 3.82Å; E483-Y550 WeakPolarHBondContact CB-OH 3.43Å; E483-Y550 HydrophobicContact CG-CE1 4.09Å; E483-Y550 PolarHBondContact N-OH 2.83Å; E483-Y550 PolarHBondContact O-OH 3.05Å; K523-Y550 HydrophobicContact CD-CD1 4.43Å; K523-Y550 PolarHBondContact N-O 3.46Å; K523-Y550 WeakPolarHBondContact O-CB 3.25Å; K523-Y550 PolarHBondContact O-N 2.98Å; L525-Y550 HydrophobicContact CD1-CG 4.17Å |
| 551 | D | 72.3 | Confident | 76.4 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | trans | -156 | 73 | -177.9 | -147.1 | 58.3 | 0 | 0 | 0 | 104.1 | P522 I549 D553 S554 I559 | P522-D551 WeakPolarHBondContact CA-OD1 3.39Å; P522-D551 HydrophobicContact CB-CB 3.95Å; P522-D551 VanDerWaalsContact CD-OD1 3.32Å; P522-D551 WeakPolarHBondContact CD-OD1 3.22Å; I549-D551 HydrophobicContact CG2-CB 4.27Å; D551-D553 VanDerWaalsContact C-N 3.31Å; D551-D553 VanDerWaalsContact CA-OD1 3.27Å; D551-D553 WeakPolarHBondContact CA-OD1 3.38Å; D551-D553 VanDerWaalsContact CG-OD1 3.31Å; D551-S554 PolarHBondContact O-N 3.28Å; D551-S554 WeakPolarHBondContact OD2-CB 3.49Å; D551-S554 PolarHBondContact OD2-OG 2.72Å; D551-I559 HydrophobicContact CB-CD1 3.8Å | ||
| 552 | P | 66.8 | Low | 76.5 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -85 | -7.3 | -171.7 | 36.6 | -35.9 | 0 | 0 | 0 | 113.3 | E483 | E483-P552 HydrophobicContact CB-CG 3.86Å; E483-P552 HydrophobicContact CG-CG 4.23Å; E483-P552 WeakPolarHBondContact OE1-CD 3.34Å; E483-P552 WeakPolarHBondContact OE1-CG 3.3Å; E483-P552 VanDerWaalsContact OE2-CG 3.22Å; E483-P552 WeakPolarHBondContact OE2-CG 3.44Å |
| 553 | D | 65.7 | Low | 76.5 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -70.6 | -37 | 161.7 | 51 | -5 | 0 | 0 | 0 | 112.6 | N519 D520 D551 | N519-D553 WeakPolarHBondContact CA-OD2 3.4Å; N519-D553 PolarHBondContact ND2-OD2 2.81Å; D520-D553 PolarHBondContact N-OD2 2.93Å; D551-D553 VanDerWaalsContact C-N 3.31Å; D551-D553 VanDerWaalsContact CA-OD1 3.27Å; D551-D553 WeakPolarHBondContact CA-OD1 3.38Å; D551-D553 VanDerWaalsContact CG-OD1 3.31Å |
| 554 | S | 73 | Confident | 76.1 | Confident | 15 Ų | 15 | 49 Ų | 49 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -88 | 141.8 | 178.6 | -76.5 | 0 | 0 | 0 | 0 | 114.1 | D551 | D551-S554 PolarHBondContact O-N 3.28Å; D551-S554 WeakPolarHBondContact OD2-CB 3.49Å; D551-S554 PolarHBondContact OD2-OG 2.72Å |
| 555 | D | 75 | Confident | 75.6 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | trans | -69.6 | 129.2 | 171.2 | -170.3 | -50.8 | 0 | 0 | 0 | 111.2 | D557 N558 | D555-D557 PolarHBondContact O-N 3.39Å; D555-D557 VanDerWaalsContact O-N 3.1Å; D555-D557 PolarHBondContact OD1-N 2.86Å; D555-N558 WeakPolarHBondContact O-CB 3.42Å; D555-N558 PolarHBondContact O-N 2.81Å | ||
| 556 | P | 78.7 | Confident | 74.9 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19 | 178.4 | -28.2 | 36.4 | 0 | 0 | 0 | 117.5 | N558 W588 Q589 L592 | P556-N558 VanDerWaalsContact C-N 3.34Å; P556-W588 HydrophobicContact CB-CG 4.34Å; P556-Q589 HydrophobicContact CB-CB 4.48Å; P556-Q589 PolarHBondContact O-N 2.7Å; P556-L592 HydrophobicContact CB-CD1 3.47Å; P556-L592 VanDerWaalsContact CB-CD1 3.47Å; P556-L592 HydrophobicContact CG-CD1 3.62Å |
| 557 | D | 81.6 | Confident | 73.9 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -19.2 | 171.9 | -85.1 | -44.6 | 0 | 0 | 0 | 112.7 | D555 Q589 R593 | D555-D557 PolarHBondContact O-N 3.39Å; D555-D557 VanDerWaalsContact O-N 3.1Å; D555-D557 PolarHBondContact OD1-N 2.86Å; D557-Q589 VanDerWaalsContact CG-NE2 3.25Å; D557-Q589 WeakPolarHBondContact OD1-CB 3.44Å; D557-Q589 WeakPolarHBondContact OD1-CG 3.21Å; D557-Q589 PolarHBondContact OD1-NE2 2.82Å; D557-Q589 PolarHBondContact OD2-NE2 2.78Å; D557-R593 IonicContact OD1-NH2 2.8Å; D557-R593 IonicContact OD2-NH2 2.73Å |
| 558 | N | 80.6 | Confident | 72.9 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -22.4 | 177.5 | -71.5 | -45.2 | 0 | 0 | 0 | 113.9 | D555 P556 N615 | D555-N558 WeakPolarHBondContact O-CB 3.42Å; D555-N558 PolarHBondContact O-N 2.81Å; P556-N558 VanDerWaalsContact C-N 3.34Å; N558-N615 WeakPolarHBondContact CB-ND2 3.46Å; N558-N615 VanDerWaalsContact CG-ND2 3.28Å; N558-N615 PolarHBondContact ND2-ND2 2.85Å |
| 559 | I | 82.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -82.3 | 120 | -176.2 | -60.3 | 167.9 | 0 | 0 | 0 | 110.3 | I549 D551 T587 W588 V612 | I549-I559 HydrophobicContact CD1-CG2 3.69Å; I549-I559 HydrophobicContact CG2-CD1 4.43Å; I549-I559 HydrophobicContact CG2-CG2 3.99Å; D551-I559 HydrophobicContact CB-CD1 3.8Å; I559-T587 WeakPolarHBondContact O-CA 3.46Å; I559-W588 HydrophobicContact CB-CB 3.76Å; I559-W588 HydrophobicContact CD1-CG 4.5Å; I559-W588 HydrophobicContact CG2-CB 3.84Å; I559-W588 HydrophobicContact CG2-CG 4.46Å; I559-W588 PolarHBondContact O-N 3.25Å; I559-V612 HydrophobicContact CG2-CG1 4.04Å | ||
| 560 | Q | 85.3 | Confident | 72.2 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.4 | -174.8 | -61 | -168.3 | 2.2 | 0 | 0 | 113.4 | Y562 V612 V613 | Q560-Y562 HydrophobicContact CB-CD2 4.43Å; Q560-Y562 HydrophobicContact CB-CE2 3.76Å; Q560-Y562 PolarHBondContact OE1-OH 2.86Å; Q560-V612 WeakPolarHBondContact O-CA 3.47Å; Q560-V613 PolarHBondContact N-O 2.81Å; Q560-V613 PolarHBondContact O-N 3.17Å; Q560-V613 VanDerWaalsContact O-N 3.08Å |
| 561 | I | 87.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | -176.5 | -46.8 | 171.8 | 0 | 0 | 0 | 109.5 | F547 I549 N585 F586 W588 I591 L610 H611 V612 | F547-I561 HydrophobicContact CE1-CD1 3.88Å; F547-I561 HydrophobicContact CZ-CG2 4.49Å; I549-I561 HydrophobicContact CD1-CD1 3.58Å; I549-I561 HydrophobicContact CD1-CG1 3.7Å; I561-N585 VanDerWaalsContact O-CA 3.28Å; I561-N585 WeakPolarHBondContact O-CA 3.23Å; I561-N585 WeakPolarHBondContact O-CB 3.41Å; I561-F586 WeakPolarHBondContact CA-O 2.94Å; I561-F586 HydrophobicContact CB-CD2 3.89Å; I561-F586 HydrophobicContact CB-CE2 3.73Å; I561-F586 HydrophobicContact CB-CZ 4.35Å; I561-F586 WeakPolarHBondContact CB-O 3.49Å; I561-F586 HydrophobicContact CD1-CD2 3.73Å; I561-F586 HydrophobicContact CD1-CE2 3.56Å; I561-F586 HydrophobicContact CG1-CD2 4.3Å; I561-F586 HydrophobicContact CG1-CE2 4.22Å; I561-F586 HydrophobicContact CG2-CD2 4.3Å; I561-F586 HydrophobicContact CG2-CE2 3.61Å; I561-F586 HydrophobicContact CG2-CZ 3.87Å; I561-F586 PolarHBondContact N-O 2.95Å; I561-F586 PolarHBondContact O-N 2.78Å; I561-F586 VanDerWaalsContact O-N 3.09Å; I561-W588 HydrophobicContact CD1-CE3 4.42Å; I561-I591 HydrophobicContact CD1-CD1 3.92Å; I561-L610 HydrophobicContact CG2-CB 4.39Å; I561-L610 HydrophobicContact CG2-CD1 4.3Å; I561-L610 HydrophobicContact CG2-CD2 4.41Å; I561-H611 WeakPolarHBondContact CA-O 3.46Å; I561-V612 HydrophobicContact CG1-CG2 4.47Å; I561-V612 HydrophobicContact CG2-CG2 4.43Å |
| 562 | Y | 86.1 | Confident | 73 | Confident | 92 Ų | 92 | 70 Ų | 70 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.9 | -178 | -69.6 | -95.4 | 0 | 0 | 0 | 111.3 | Q560 N585 L610 H611 | Q560-Y562 HydrophobicContact CB-CD2 4.43Å; Q560-Y562 HydrophobicContact CB-CE2 3.76Å; Q560-Y562 PolarHBondContact OE1-OH 2.86Å; Y562-N585 HydrophobicContact CD1-CB 4.07Å; Y562-N585 HydrophobicContact CE1-CB 4.27Å; Y562-L610 CarbonylContact O-C 3.55Å; Y562-L610 WeakPolarHBondContact O-CA 3.47Å; Y562-H611 PolarHBondContact N-O 3.29Å; Y562-H611 PolarHBondContact O-N 2.8Å |
| 563 | V | 79.4 | Confident | 73.9 | Confident | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 111.3 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | L567 I573 S584 F586 L610 | V563-L567 HydrophobicContact CG1-CD1 4.42Å; V563-I573 HydrophobicContact CG2-CD1 3.73Å; V563-S584 WeakPolarHBondContact CB-O 3.08Å; V563-S584 WeakPolarHBondContact CG2-O 3.2Å; V563-S584 PolarHBondContact N-O 2.8Å; V563-F586 HydrophobicContact CG2-CE1 4.09Å; V563-L610 HydrophobicContact CB-CD2 4.26Å; V563-L610 HydrophobicContact CG1-CD2 4.41Å; V563-L610 HydrophobicContact CG2-CD2 3.75Å |
| 564 | Q | 68 | Low | 74.9 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | trans | -84.6 | -34.9 | -172.7 | -80.3 | -162.7 | -9.7 | 0 | 0 | 114.7 | T609 H611 | Q564-T609 PolarHBondContact N-O 2.57Å; Q564-H611 HydrophobicContact CG-CB 4.34Å | ||
| 565 | Q | 60.8 | Low | 75.5 | Confident | 111 Ų | 111 | 66 Ų | 66 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -110.5 | 123.1 | 179.6 | -72.3 | 170 | -33.4 | 0 | 0 | 111.2 | L567 T609 | Q565-L567 PolarHBondContact O-N 3.09Å; Q565-T609 WeakPolarHBondContact CB-OG1 2.96Å; Q565-T609 VanDerWaalsContact CD-OG1 3.29Å; Q565-T609 VanDerWaalsContact CG-OG1 3.26Å; Q565-T609 WeakPolarHBondContact CG-OG1 3.07Å; Q565-T609 PolarHBondContact N-OG1 3.32Å; Q565-T609 PolarHBondContact OE1-OG1 2.99Å |
| 566 | H | 54.2 | Low | 75.8 | Confident | 192 Ų | 192 | 66.9 Ų | 66.9 | 89% | 0.889 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 124.5 | 173.2 | -83.5 | -71.7 | 0 | 0 | 0 | 110.7 | ||
| 567 | L | 51 | Low | 75.9 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.5 | -167.6 | -67 | 114.4 | 0 | 0 | 0 | 113.5 | V563 Q565 V571 I573 M608 | V563-L567 HydrophobicContact CG1-CD1 4.42Å; Q565-L567 PolarHBondContact O-N 3.09Å; L567-V571 WeakPolarHBondContact CB-O 3.47Å; L567-I573 HydrophobicContact CD1-CG1 4.42Å; L567-M608 HydrophobicContact CD2-CB 3.77Å; L567-M608 HydrophobicContact CD2-SD 4.25Å; L567-M608 HydrophobicContact CG-CB 4.5Å |
| 568 | S | 54.6 | Low | 75.8 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 152 | 167.3 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | S570 V571 | S568-S570 PolarHBondContact O-N 2.94Å; S568-V571 PolarHBondContact O-N 2.98Å |
| 569 | R | 66.9 | Low | 75.6 | Confident | 237 Ų | 237 | 74.2 Ų | 74.2 | 89% | 0.894 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 4.1 | -179.3 | -65.9 | -178.4 | 175.6 | 173.2 | -2.2 | 116.5 | T602 | R569-T602 PolarHBondContact O-OG1 2.87Š|
| 570 | S | 73.4 | Confident | 75.1 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 16% | 0.161 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -40 | -179.7 | -50.3 | 0 | 0 | 0 | 0 | 112.8 | S568 V601 T602 | S568-S570 PolarHBondContact O-N 2.94Å; S570-V601 PolarHBondContact O-N 3.07Å; S570-T602 WeakPolarHBondContact CA-O 3.16Å; S570-T602 VanDerWaalsContact CB-O 3.23Å; S570-T602 WeakPolarHBondContact CB-O 2.77Å; S570-T602 PolarHBondContact O-N 3.1Å; S570-T602 VanDerWaalsContact O-N 3.1Å |
| 571 | V | 77.6 | Confident | 74.8 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 148.6 | -167.1 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | L567 S568 I598 V599 A606 V626 | L567-V571 WeakPolarHBondContact CB-O 3.47Å; S568-V571 PolarHBondContact O-N 2.98Å; V571-I598 HydrophobicContact CG1-CG2 3.44Å; V571-I598 VanDerWaalsContact CG1-CG2 3.44Å; V571-V599 VanDerWaalsContact CA-O 3.32Å; V571-V599 WeakPolarHBondContact CA-O 3.27Å; V571-A606 HydrophobicContact CB-CB 4.2Å; V571-A606 HydrophobicContact CG2-CB 3.8Å; V571-V626 HydrophobicContact CG1-CG2 4.34Å; V571-V626 HydrophobicContact CG2-CB 4.31Å; V571-V626 HydrophobicContact CG2-CG1 4.1Å |
| 572 | Y | 85.2 | Confident | 74.5 | Confident | 56 Ų | 56 | 83 Ų | 83 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 166.7 | 169 | 64.8 | -81.2 | 0 | 0 | 0 | 112.5 | E574 P582 I598 V599 V601 | Y572-E574 HydrophobicContact CD2-CB 4.31Å; Y572-E574 HydrophobicContact CE2-CB 3.99Å; Y572-P582 HydrophobicContact CD2-CB 4.32Å; Y572-I598 WeakPolarHBondContact O-CA 3.26Å; Y572-V599 HydrophobicContact CD1-CB 4.21Å; Y572-V599 HydrophobicContact CE1-CB 3.77Å; Y572-V599 HydrophobicContact CE1-CG1 3.85Å; Y572-V599 HydrophobicContact CE2-CB 4.28Å; Y572-V599 HydrophobicContact CE2-CG2 4.19Å; Y572-V599 PolarHBondContact N-O 2.91Å; Y572-V599 PolarHBondContact O-N 2.88Å; Y572-V601 HydrophobicContact CD1-CG2 3.66Å; Y572-V601 HydrophobicContact CE1-CG2 3.53Å |
| 573 | I | 85.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.6 | 171.5 | -43.2 | 175.2 | 0 | 0 | 0 | 108.6 | M542 V563 L567 P582 I583 F586 I596 S597 I598 M608 L610 | M542-I573 HydrophobicContact SD-CG2 4.3Å; V563-I573 HydrophobicContact CG2-CD1 3.73Å; L567-I573 HydrophobicContact CD1-CG1 4.42Å; I573-P582 VanDerWaalsContact O-CA 3.28Å; I573-P582 WeakPolarHBondContact O-CA 3.28Å; I573-I583 HydrophobicContact CB-CG1 4.16Å; I573-I583 HydrophobicContact CG2-CD1 3.95Å; I573-I583 HydrophobicContact CG2-CG1 3.95Å; I573-I583 PolarHBondContact O-N 2.77Å; I573-F586 HydrophobicContact CD1-CE1 4.06Å; I573-F586 HydrophobicContact CD1-CZ 4.32Å; I573-F586 HydrophobicContact CG2-CE1 4.27Å; I573-I596 HydrophobicContact CG2-CG2 3.41Å; I573-I596 VanDerWaalsContact CG2-CG2 3.41Å; I573-S597 CarbonylContact C-O 3.46Å; I573-S597 VanDerWaalsContact CA-O 3.3Å; I573-S597 WeakPolarHBondContact CA-O 2.96Å; I573-I598 HydrophobicContact CG1-CG1 4.43Å; I573-M608 HydrophobicContact CD1-CE 3.53Å; I573-M608 HydrophobicContact CG1-CE 4.07Å; I573-L610 HydrophobicContact CD1-CD2 4.42Å |
| 574 | E | 86.4 | Confident | 74.4 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 12% | 0.121 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 164.5 | 173.1 | 65.6 | -179.7 | -175.2 | 0 | 0 | 111.8 | Y572 P579 G580 S597 V599 | Y572-E574 HydrophobicContact CD2-CB 4.31Å; Y572-E574 HydrophobicContact CE2-CB 3.99Å; E574-P579 WeakPolarHBondContact OE2-CA 3.42Å; E574-G580 PolarHBondContact OE2-N 3.23Å; E574-S597 PolarHBondContact N-O 2.78Å; E574-S597 PolarHBondContact O-N 2.89Å; E574-V599 HydrophobicContact CG-CG2 3.94Å; E574-V599 WeakPolarHBondContact OE1-CG2 3.36Å |
| 575 | H | 86.3 | Confident | 75.3 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 9% | 0.093 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.9 | 170.9 | -171.2 | -78.1 | 0 | 0 | 0 | 109.2 | K577 F578 I583 E595 | H575-K577 WeakPolarHBondContact ND1-CB 3.3Å; H575-K577 PolarHBondContact ND1-N 3.48Å; H575-K577 PolarHBondContact O-N 3.49Å; H575-F578 HydrophobicContact CB-CD2 4.17Å; H575-F578 CarbonylContact O-C 3.52Å; H575-F578 WeakPolarHBondContact O-CA 3.48Å; H575-F578 PolarHBondContact O-N 3.49Å; H575-I583 HydrophobicContact CB-CD1 4.19Å; H575-I583 HydrophobicContact CB-CG2 4.02Å; H575-E595 CarbonylContact C-O 3.18Å; H575-E595 WeakPolarHBondContact CA-O 3.09Å; H575-E595 IonicContact CE1-OE1 2.59Å; H575-E595 IonicContact NE2-OE1 2.69Å |
| 576 | E | 81.6 | Confident | 76.6 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.7 | -174.5 | -179.8 | 161 | -127.8 | 0 | 0 | 114 | K541 E595 | K541-E576 IonicContact NZ-OE1 3.62Å; K541-E576 PolarHBondContact NZ-OE1 3.41Å; K541-E576 IonicContact NZ-OE2 3.84Å; K541-E576 PolarHBondContact NZ-OE2 3.07Å; E576-E595 WeakPolarHBondContact CB-O 3.44Å; E576-E595 PolarHBondContact N-O 3.25Å |
| 577 | K | 79.6 | Confident | 78.3 | Confident | 134 Ų | 134 | 69 Ų | 69 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.6 | 171.7 | -60.7 | -178.5 | 179 | 98 | 0 | 114.2 | H575 E595 | H575-K577 WeakPolarHBondContact ND1-CB 3.3Å; H575-K577 PolarHBondContact ND1-N 3.48Å; H575-K577 PolarHBondContact O-N 3.49Å; K577-E595 IonicContact NZ-OE1 3.02Å; K577-E595 PolarHBondContact NZ-OE1 3.05Å |
| 578 | F | 80.6 | Confident | 80 | Confident | 116 Ų | 116 | 67.1 Ų | 67.1 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 55.7 | -174.8 | -50.8 | -65.4 | 0 | 0 | 0 | 111.2 | H575 G580 E581 | H575-F578 HydrophobicContact CB-CD2 4.17Å; H575-F578 CarbonylContact O-C 3.52Å; H575-F578 WeakPolarHBondContact O-CA 3.48Å; H575-F578 PolarHBondContact O-N 3.49Å; F578-G580 PolarHBondContact O-N 3.11Å; F578-E581 HydrophobicContact CB-CB 4.23Å; F578-E581 PolarHBondContact O-N 3.26Å; F578-E581 VanDerWaalsContact O-N 3.1Å |
| 579 | P | 75.3 | Confident | 81.6 | Confident | 94 Ų | 94 | 65 Ų | 65 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133.9 | -176.9 | 27.8 | -35.4 | 0 | 0 | 0 | 111.3 | E574 | E574-P579 WeakPolarHBondContact OE2-CA 3.42Å |
| 580 | G | 72.3 | Confident | 82.6 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.9 | -6.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E574 F578 | E574-G580 PolarHBondContact OE2-N 3.23Å; F578-G580 PolarHBondContact O-N 3.11Å |
| 581 | E | 78.1 | Confident | 83.2 | Confident | 124 Ų | 124 | 54.1 Ų | 54.1 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.5 | 176.4 | -63.1 | -166.3 | 162.5 | 0 | 0 | 111.9 | F578 | F578-E581 HydrophobicContact CB-CB 4.23Å; F578-E581 PolarHBondContact O-N 3.26Å; F578-E581 VanDerWaalsContact O-N 3.1Å |
| 582 | P | 81.2 | Confident | 83.4 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.2 | -177.9 | 31.5 | -34.3 | 0 | 0 | 0 | 112.9 | Y572 I573 | Y572-P582 HydrophobicContact CD2-CB 4.32Å; I573-P582 VanDerWaalsContact O-CA 3.28Å; I573-P582 WeakPolarHBondContact O-CA 3.28Å |
| 583 | I | 83.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | trans | -102.6 | 156.1 | -178.4 | 66.2 | 178.6 | 0 | 0 | 0 | 113.5 | I573 H575 F586 I596 | I573-I583 HydrophobicContact CB-CG1 4.16Å; I573-I583 HydrophobicContact CG2-CD1 3.95Å; I573-I583 HydrophobicContact CG2-CG1 3.95Å; I573-I583 PolarHBondContact O-N 2.77Å; H575-I583 HydrophobicContact CB-CD1 4.19Å; H575-I583 HydrophobicContact CB-CG2 4.02Å; I583-F586 HydrophobicContact CD1-CD1 3.57Å; I583-F586 HydrophobicContact CD1-CE1 4.15Å; I583-F586 HydrophobicContact CD1-CG 4.38Å; I583-F586 HydrophobicContact CG1-CD1 4.15Å; I583-F586 HydrophobicContact CG1-CE1 4.47Å; I583-I596 HydrophobicContact CD1-CD1 3.71Å; I583-I596 HydrophobicContact CD1-CG2 4.37Å | ||
| 584 | S | 80.2 | Confident | 83.1 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -112.3 | -22.8 | -177.5 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | V563 | V563-S584 WeakPolarHBondContact CB-O 3.08Å; V563-S584 WeakPolarHBondContact CG2-O 3.2Å; V563-S584 PolarHBondContact N-O 2.8Å |
| 585 | N | 86.3 | Confident | 83 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.7 | 176.3 | 67 | -30.4 | 0 | 0 | 0 | 111.6 | I561 Y562 | I561-N585 VanDerWaalsContact O-CA 3.28Å; I561-N585 WeakPolarHBondContact O-CA 3.23Å; I561-N585 WeakPolarHBondContact O-CB 3.41Å; Y562-N585 HydrophobicContact CD1-CB 4.07Å; Y562-N585 HydrophobicContact CE1-CB 4.27Å |
| 586 | F | 89.5 | Confident | 83.1 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 164.4 | 177.3 | 43.6 | -90 | 0 | 0 | 0 | 109.6 | M542 I561 V563 I573 I583 N590 I591 I596 | M542-F586 HydrophobicContact SD-CZ 4.39Å; I561-F586 WeakPolarHBondContact CA-O 2.94Å; I561-F586 HydrophobicContact CB-CD2 3.89Å; I561-F586 HydrophobicContact CB-CE2 3.73Å; I561-F586 HydrophobicContact CB-CZ 4.35Å; I561-F586 WeakPolarHBondContact CB-O 3.49Å; I561-F586 HydrophobicContact CD1-CD2 3.73Å; I561-F586 HydrophobicContact CD1-CE2 3.56Å; I561-F586 HydrophobicContact CG1-CD2 4.3Å; I561-F586 HydrophobicContact CG1-CE2 4.22Å; I561-F586 HydrophobicContact CG2-CD2 4.3Å; I561-F586 HydrophobicContact CG2-CE2 3.61Å; I561-F586 HydrophobicContact CG2-CZ 3.87Å; I561-F586 PolarHBondContact N-O 2.95Å; I561-F586 PolarHBondContact O-N 2.78Å; I561-F586 VanDerWaalsContact O-N 3.09Å; V563-F586 HydrophobicContact CG2-CE1 4.09Å; I573-F586 HydrophobicContact CD1-CE1 4.06Å; I573-F586 HydrophobicContact CD1-CZ 4.32Å; I573-F586 HydrophobicContact CG2-CE1 4.27Å; I583-F586 HydrophobicContact CD1-CD1 3.57Å; I583-F586 HydrophobicContact CD1-CE1 4.15Å; I583-F586 HydrophobicContact CD1-CG 4.38Å; I583-F586 HydrophobicContact CG1-CD1 4.15Å; I583-F586 HydrophobicContact CG1-CE1 4.47Å; F586-N590 HydrophobicContact CB-CB 4.24Å; F586-I591 HydrophobicContact CD2-CD1 4.34Å; F586-I591 HydrophobicContact CD2-CG1 4.36Å; F586-I591 HydrophobicContact CE2-CD1 3.79Å; F586-I591 HydrophobicContact CE2-CG1 4.24Å; F586-I596 HydrophobicContact CB-CD1 3.82Å; F586-I596 HydrophobicContact CB-CG1 4.42Å; F586-I596 HydrophobicContact CD1-CD1 4.32Å; F586-I596 HydrophobicContact CD2-CD1 4.4Å; F586-I596 HydrophobicContact CD2-CG1 4.18Å; F586-I596 HydrophobicContact CE1-CG2 4.47Å; F586-I596 HydrophobicContact CG-CD1 3.94Å; F586-I596 HydrophobicContact CG-CG1 4.22Å; F586-I596 HydrophobicContact CZ-CG2 4.44Å |
| 587 | T | 89 | Confident | 83.2 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 164.3 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | I559 Q589 N590 | I559-T587 WeakPolarHBondContact O-CA 3.46Å; T587-Q589 PolarHBondContact O-N 2.93Å; T587-N590 PolarHBondContact N-OD1 3.37Å; T587-N590 PolarHBondContact O-N 3.06Å; T587-N590 PolarHBondContact OG1-N 3Å; T587-N590 PolarHBondContact OG1-OD1 2.81Å; T587-N590 VanDerWaalsContact OG1-OD1 3.14Å |
| 588 | W | 87.8 | Confident | 83.4 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 170.6 | -179.1 | -141.1 | 0 | 0 | 0 | 111.7 | K544 F547 I549 P556 I559 I561 N590 I591 L592 | K544-W588 HydrophobicContact CB-CH2 4.03Å; K544-W588 HydrophobicContact CB-CZ2 4.47Å; K544-W588 HydrophobicContact CD-CH2 4.48Å; K544-W588 HydrophobicContact CD-CZ2 4.09Å; K544-W588 HydrophobicContact CG-CH2 3.86Å; K544-W588 HydrophobicContact CG-CZ2 3.95Å; F547-W588 HydrophobicContact CD1-CZ3 4.19Å; F547-W588 VanDerWaalsContact O-CH2 3.29Å; F547-W588 WeakPolarHBondContact O-CH2 3.08Å; F547-W588 VanDerWaalsContact O-CZ3 3.23Å; F547-W588 WeakPolarHBondContact O-CZ3 3.46Å; I549-W588 HydrophobicContact CB-CD2 3.91Å; I549-W588 HydrophobicContact CB-CE3 4.14Å; I549-W588 HydrophobicContact CB-CG 4.28Å; I549-W588 HydrophobicContact CB-CZ2 4.39Å; I549-W588 HydrophobicContact CD1-CB 4.17Å; I549-W588 HydrophobicContact CD1-CD2 4.11Å; I549-W588 HydrophobicContact CD1-CE3 3.91Å; I549-W588 HydrophobicContact CD1-CG 4.23Å; I549-W588 HydrophobicContact CG1-CD2 4.24Å; I549-W588 HydrophobicContact CG1-CE3 4Å; I549-W588 HydrophobicContact CG1-CZ3 4.38Å; I549-W588 WeakPolarHBondContact O-CZ2 3.15Å; I549-W588 PolarHBondContact O-NE1 2.87Å; P556-W588 HydrophobicContact CB-CG 4.34Å; I559-W588 HydrophobicContact CB-CB 3.76Å; I559-W588 HydrophobicContact CD1-CG 4.5Å; I559-W588 HydrophobicContact CG2-CB 3.84Å; I559-W588 HydrophobicContact CG2-CG 4.46Å; I559-W588 PolarHBondContact O-N 3.25Å; I561-W588 HydrophobicContact CD1-CE3 4.42Å; W588-N590 VanDerWaalsContact C-N 3.27Å; W588-N590 PolarHBondContact O-N 2.87Å; W588-I591 HydrophobicContact CE3-CB 3.91Å; W588-I591 HydrophobicContact CE3-CD1 4.28Å; W588-I591 HydrophobicContact CE3-CG2 4.11Å; W588-I591 HydrophobicContact CH2-CG2 4.16Å; W588-I591 HydrophobicContact CZ3-CB 3.82Å; W588-I591 HydrophobicContact CZ3-CD1 4.16Å; W588-I591 HydrophobicContact CZ3-CG2 3.47Å; W588-I591 VanDerWaalsContact CZ3-CG2 3.47Å; W588-I591 PolarHBondContact O-N 3.41Å; W588-L592 HydrophobicContact CD2-CG 4.36Å; W588-L592 HydrophobicContact CH2-CD2 4.19Å; W588-L592 HydrophobicContact CZ2-CD2 3.71Å; W588-L592 HydrophobicContact CZ2-CG 4.44Å; W588-L592 PolarHBondContact O-N 3.11Å |
| 589 | Q | 87.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 49 Ų | 49 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -50.9 | -39.1 | 170.7 | -177.5 | 82.8 | -92.7 | 0 | 0 | 113.6 | P556 D557 T587 I591 L592 R593 | P556-Q589 HydrophobicContact CB-CB 4.48Å; P556-Q589 PolarHBondContact O-N 2.7Å; D557-Q589 VanDerWaalsContact CG-NE2 3.25Å; D557-Q589 WeakPolarHBondContact OD1-CB 3.44Å; D557-Q589 WeakPolarHBondContact OD1-CG 3.21Å; D557-Q589 PolarHBondContact OD1-NE2 2.82Å; D557-Q589 PolarHBondContact OD2-NE2 2.78Å; T587-Q589 PolarHBondContact O-N 2.93Å; Q589-I591 VanDerWaalsContact C-N 3.29Å; Q589-I591 PolarHBondContact O-N 2.78Å; Q589-L592 PolarHBondContact O-N 2.76Å; Q589-R593 VanDerWaalsContact CD-NE 3.32Å; Q589-R593 HydrophobicContact CG-CG 4.25Å; Q589-R593 VanDerWaalsContact CG-NH2 3.34Å; Q589-R593 WeakPolarHBondContact O-CB 3.16Å; Q589-R593 WeakPolarHBondContact O-CG 2.66Å; Q589-R593 PolarHBondContact O-N 3.43Å |
| 590 | N | 88.9 | Confident | 83.7 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -32.6 | 178.9 | -62.9 | 127.2 | 0 | 0 | 0 | 112.6 | F586 T587 W588 K594 E595 I596 | F586-N590 HydrophobicContact CB-CB 4.24Å; T587-N590 PolarHBondContact N-OD1 3.37Å; T587-N590 PolarHBondContact O-N 3.06Å; T587-N590 PolarHBondContact OG1-N 3Å; T587-N590 PolarHBondContact OG1-OD1 2.81Å; T587-N590 VanDerWaalsContact OG1-OD1 3.14Å; W588-N590 VanDerWaalsContact C-N 3.27Å; W588-N590 PolarHBondContact O-N 2.87Å; N590-K594 PolarHBondContact O-N 3.05Å; N590-E595 PolarHBondContact ND2-OE2 2.78Å; N590-E595 PolarHBondContact O-N 3.18Å; N590-I596 HydrophobicContact CB-CD1 3.78Å; N590-I596 HydrophobicContact CB-CG1 3.75Å |
| 591 | I | 84.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 171.8 | -70 | 179.8 | 0 | 0 | 0 | 110.9 | M542 F547 I561 F586 W588 Q589 R593 K594 I596 | M542-I591 HydrophobicContact CB-CD1 4.23Å; M542-I591 HydrophobicContact CB-CG1 4.12Å; M542-I591 HydrophobicContact CE-CD1 3.79Å; M542-I591 HydrophobicContact SD-CD1 4.44Å; F547-I591 HydrophobicContact CD1-CD1 3.59Å; F547-I591 HydrophobicContact CE1-CD1 4.12Å; F547-I591 HydrophobicContact CG-CD1 4.47Å; I561-I591 HydrophobicContact CD1-CD1 3.92Å; F586-I591 HydrophobicContact CD2-CD1 4.34Å; F586-I591 HydrophobicContact CD2-CG1 4.36Å; F586-I591 HydrophobicContact CE2-CD1 3.79Å; F586-I591 HydrophobicContact CE2-CG1 4.24Å; W588-I591 HydrophobicContact CE3-CB 3.91Å; W588-I591 HydrophobicContact CE3-CD1 4.28Å; W588-I591 HydrophobicContact CE3-CG2 4.11Å; W588-I591 HydrophobicContact CH2-CG2 4.16Å; W588-I591 HydrophobicContact CZ3-CB 3.82Å; W588-I591 HydrophobicContact CZ3-CD1 4.16Å; W588-I591 HydrophobicContact CZ3-CG2 3.47Å; W588-I591 VanDerWaalsContact CZ3-CG2 3.47Å; W588-I591 PolarHBondContact O-N 3.41Å; Q589-I591 VanDerWaalsContact C-N 3.29Å; Q589-I591 PolarHBondContact O-N 2.78Å; I591-R593 VanDerWaalsContact C-N 3.29Å; I591-R593 PolarHBondContact O-N 3.43Å; I591-K594 WeakPolarHBondContact O-CA 3.2Å; I591-K594 PolarHBondContact O-N 3.04Å; I591-I596 HydrophobicContact CG1-CB 4.28Å; I591-I596 HydrophobicContact CG1-CG1 4.09Å |
| 592 | L | 81.2 | Confident | 83.8 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 175.6 | -63.8 | -176.7 | 0 | 0 | 0 | 112.2 | K544 P556 W588 Q589 K594 | K544-L592 HydrophobicContact CB-CD2 4.36Å; K544-L592 HydrophobicContact CD-CD2 4.02Å; P556-L592 HydrophobicContact CB-CD1 3.47Å; P556-L592 VanDerWaalsContact CB-CD1 3.47Å; P556-L592 HydrophobicContact CG-CD1 3.62Å; W588-L592 HydrophobicContact CD2-CG 4.36Å; W588-L592 HydrophobicContact CH2-CD2 4.19Å; W588-L592 HydrophobicContact CZ2-CD2 3.71Å; W588-L592 HydrophobicContact CZ2-CG 4.44Å; W588-L592 PolarHBondContact O-N 3.11Å; Q589-L592 PolarHBondContact O-N 2.76Å; L592-K594 PolarHBondContact O-N 2.7Å |
| 593 | R | 83.7 | Confident | 83.5 | Confident | 138 Ų | 138 | 41.8 Ų | 41.8 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.2 | 174.3 | -66.7 | 178.7 | -173.3 | 169.2 | 9.8 | 113.7 | D557 Q589 I591 E595 | D557-R593 IonicContact OD1-NH2 2.8Å; D557-R593 IonicContact OD2-NH2 2.73Å; Q589-R593 VanDerWaalsContact CD-NE 3.32Å; Q589-R593 HydrophobicContact CG-CG 4.25Å; Q589-R593 VanDerWaalsContact CG-NH2 3.34Å; Q589-R593 WeakPolarHBondContact O-CB 3.16Å; Q589-R593 WeakPolarHBondContact O-CG 2.66Å; Q589-R593 PolarHBondContact O-N 3.43Å; I591-R593 VanDerWaalsContact C-N 3.29Å; I591-R593 PolarHBondContact O-N 3.43Å; R593-E595 HydrophobicContact CB-CG 3.79Å; R593-E595 PolarHBondContact O-N 2.73Å |
| 594 | K | 81.2 | Confident | 83.2 | Confident | 106 Ų | 106 | 47.3 Ų | 47.3 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 32.1 | -179.1 | -48.1 | -169.9 | 179.2 | -165.6 | 0 | 113.2 | K541 T543 N590 I591 L592 | K541-K594 HydrophobicContact CD-CB 4.2Å; K541-K594 WeakPolarHBondContact CD-O 3.38Å; K541-K594 WeakPolarHBondContact CE-O 3.35Å; K541-K594 PolarHBondContact NZ-O 3.13Å; T543-K594 HydrophobicContact CG2-CD 3.92Å; T543-K594 HydrophobicContact CG2-CG 4.15Å; N590-K594 PolarHBondContact O-N 3.05Å; I591-K594 WeakPolarHBondContact O-CA 3.2Å; I591-K594 PolarHBondContact O-N 3.04Å; L592-K594 PolarHBondContact O-N 2.7Å |
| 595 | E | 84.6 | Confident | 82.9 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | trans | -83 | -11.1 | 179.9 | -61.2 | -177.7 | 105.4 | 0 | 0 | 112.8 | H575 E576 K577 N590 R593 | H575-E595 CarbonylContact C-O 3.18Å; H575-E595 WeakPolarHBondContact CA-O 3.09Å; H575-E595 IonicContact CE1-OE1 2.59Å; H575-E595 IonicContact NE2-OE1 2.69Å; E576-E595 WeakPolarHBondContact CB-O 3.44Å; E576-E595 PolarHBondContact N-O 3.25Å; K577-E595 IonicContact NZ-OE1 3.02Å; K577-E595 PolarHBondContact NZ-OE1 3.05Å; N590-E595 PolarHBondContact ND2-OE2 2.78Å; N590-E595 PolarHBondContact O-N 3.18Å; R593-E595 HydrophobicContact CB-CG 3.79Å; R593-E595 PolarHBondContact O-N 2.73Å | ||
| 596 | I | 87.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.5 | -173.9 | -51.4 | -59.3 | 0 | 0 | 0 | 110.5 | K541 M542 I573 I583 F586 N590 I591 | K541-I596 CarbonylContact C-O 3.56Å; K541-I596 WeakPolarHBondContact CA-O 3.47Å; M542-I596 HydrophobicContact CB-CB 4.15Å; M542-I596 HydrophobicContact CB-CG2 4.09Å; M542-I596 HydrophobicContact CG-CG2 4.06Å; M542-I596 PolarHBondContact N-O 2.88Å; M542-I596 HydrophobicContact SD-CG2 3.62Å; I573-I596 HydrophobicContact CG2-CG2 3.41Å; I573-I596 VanDerWaalsContact CG2-CG2 3.41Å; I583-I596 HydrophobicContact CD1-CD1 3.71Å; I583-I596 HydrophobicContact CD1-CG2 4.37Å; F586-I596 HydrophobicContact CB-CD1 3.82Å; F586-I596 HydrophobicContact CB-CG1 4.42Å; F586-I596 HydrophobicContact CD1-CD1 4.32Å; F586-I596 HydrophobicContact CD2-CD1 4.4Å; F586-I596 HydrophobicContact CD2-CG1 4.18Å; F586-I596 HydrophobicContact CE1-CG2 4.47Å; F586-I596 HydrophobicContact CG-CD1 3.94Å; F586-I596 HydrophobicContact CG-CG1 4.22Å; F586-I596 HydrophobicContact CZ-CG2 4.44Å; N590-I596 HydrophobicContact CB-CD1 3.78Å; N590-I596 HydrophobicContact CB-CG1 3.75Å; I591-I596 HydrophobicContact CG1-CB 4.28Å; I591-I596 HydrophobicContact CG1-CG1 4.09Å |
| 597 | S | 82.7 | Confident | 81.7 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | I573 E574 | I573-S597 CarbonylContact C-O 3.46Å; I573-S597 VanDerWaalsContact CA-O 3.3Å; I573-S597 WeakPolarHBondContact CA-O 2.96Å; E574-S597 PolarHBondContact N-O 2.78Å; E574-S597 PolarHBondContact O-N 2.89Å |
| 598 | I | 84.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.3 | 171.7 | -69.1 | 170.3 | 0 | 0 | 0 | 108.6 | L532 L534 S539 L540 M542 V571 Y572 I573 M608 | L532-I598 HydrophobicContact CD1-CD1 3.44Å; L532-I598 VanDerWaalsContact CD1-CD1 3.44Å; L534-I598 HydrophobicContact CD1-CG2 4.03Å; S539-I598 CarbonylContact C-O 3.4Å; S539-I598 WeakPolarHBondContact CA-O 2.84Å; L540-I598 PolarHBondContact N-O 2.83Å; L540-I598 PolarHBondContact O-N 2.82Å; M542-I598 HydrophobicContact CE-CD1 4.39Å; M542-I598 HydrophobicContact CG-CD1 3.63Å; M542-I598 HydrophobicContact CG-CG1 3.77Å; M542-I598 HydrophobicContact SD-CD1 3.78Å; M542-I598 HydrophobicContact SD-CG1 3.95Å; V571-I598 HydrophobicContact CG1-CG2 3.44Å; V571-I598 VanDerWaalsContact CG1-CG2 3.44Å; Y572-I598 WeakPolarHBondContact O-CA 3.26Å; I573-I598 HydrophobicContact CG1-CG1 4.43Å; I598-M608 HydrophobicContact CD1-SD 4.33Å |
| 599 | V | 82.1 | Confident | 80.9 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.4 | -173.6 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | V571 Y572 E574 | V571-V599 VanDerWaalsContact CA-O 3.32Å; V571-V599 WeakPolarHBondContact CA-O 3.27Å; Y572-V599 HydrophobicContact CD1-CB 4.21Å; Y572-V599 HydrophobicContact CE1-CB 3.77Å; Y572-V599 HydrophobicContact CE1-CG1 3.85Å; Y572-V599 HydrophobicContact CE2-CB 4.28Å; Y572-V599 HydrophobicContact CE2-CG2 4.19Å; Y572-V599 PolarHBondContact N-O 2.91Å; Y572-V599 PolarHBondContact O-N 2.88Å; E574-V599 HydrophobicContact CG-CG2 3.94Å; E574-V599 WeakPolarHBondContact OE1-CG2 3.36Å |
| 600 | H | 79.6 | Confident | 80.7 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.3 | 171 | 173.3 | -121.6 | 0 | 0 | 0 | 111.1 | L534 H537 T602 G603 I628 | L534-H600 HydrophobicContact CD2-CB 3.58Å; H537-H600 PolarHBondContact N-ND1 3.2Å; H600-T602 VanDerWaalsContact NE2-C 3.35Å; H600-T602 PolarHBondContact NE2-O 2.8Å; H600-G603 PolarHBondContact NE2-O 3.26Å; H600-I628 HydrophobicContact CB-CD1 4.11Å; H600-I628 VanDerWaalsContact CD2-CD1 3.44Å; H600-I628 WeakPolarHBondContact CD2-CD1 3.33Å |
| 601 | V | 77.3 | Confident | 80.4 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | trans | -108.8 | -55.2 | 176 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | S570 Y572 | S570-V601 PolarHBondContact O-N 3.07Å; Y572-V601 HydrophobicContact CD1-CG2 3.66Å; Y572-V601 HydrophobicContact CE1-CG2 3.53Å | ||
| 602 | T | 76.8 | Confident | 80.3 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -152.8 | 168.3 | -179.8 | 57 | 0 | 0 | 0 | 0 | 112.2 | R569 S570 H600 | R569-T602 PolarHBondContact O-OG1 2.87Å; S570-T602 WeakPolarHBondContact CA-O 3.16Å; S570-T602 VanDerWaalsContact CB-O 3.23Å; S570-T602 WeakPolarHBondContact CB-O 2.77Å; S570-T602 PolarHBondContact O-N 3.1Å; S570-T602 VanDerWaalsContact O-N 3.1Å; H600-T602 VanDerWaalsContact NE2-C 3.35Å; H600-T602 PolarHBondContact NE2-O 2.8Å |
| 603 | G | 73.9 | Confident | 80.4 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | trans | 83.1 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H600 | H600-G603 PolarHBondContact NE2-O 3.26Š| ||
| 604 | W | 76.9 | Confident | 80.1 | Confident | 149 Ų | 149 | 38.6 Ų | 38.6 | 56% | 0.564 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -115.8 | -18.2 | -179 | -61.9 | 101.2 | 0 | 0 | 0 | 113.5 | Q627 I628 | W604-Q627 WeakPolarHBondContact O-CA 2.69Å; W604-I628 HydrophobicContact CE3-CB 4.14Å; W604-I628 HydrophobicContact CE3-CG2 4.38Å; W604-I628 HydrophobicContact CZ3-CG2 4.43Å; W604-I628 PolarHBondContact O-N 2.91Å; W604-I628 VanDerWaalsContact O-N 3.08Å |
| 605 | T | 73.8 | Confident | 79.6 | Confident | 92 Ų | 92 | 38.3 Ų | 38.3 | 56% | 0.564 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 142.3 | -176.1 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | V626 Q627 | T605-V626 CarbonylContact C-O 3.35Å; T605-V626 VanDerWaalsContact CA-O 3.27Å; T605-V626 WeakPolarHBondContact CA-O 2.72Å; T605-Q627 HydrophobicContact CG2-CG 4.37Å |
| 606 | A | 75.8 | Confident | 78.8 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 144.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V571 S625 V626 | V571-A606 HydrophobicContact CB-CB 4.2Å; V571-A606 HydrophobicContact CG2-CB 3.8Å; A606-S625 CarbonylContact O-C 2.91Å; A606-S625 WeakPolarHBondContact O-CA 3.45Å; A606-V626 PolarHBondContact N-O 2.97Å; A606-V626 PolarHBondContact O-N 3.44Å |
| 607 | N | 75.4 | Confident | 77.6 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.1 | 176.2 | -68 | 17 | 0 | 0 | 0 | 110.9 | E623 I624 S625 | N607-E623 HydrophobicContact CB-CG 4.44Å; N607-E623 WeakPolarHBondContact CB-OE1 2.91Å; N607-E623 PolarHBondContact ND2-OE1 2.96Å; N607-I624 CarbonylContact C-O 3.55Å; N607-I624 WeakPolarHBondContact CA-O 3.17Å; N607-S625 WeakPolarHBondContact OD1-CB 3.01Å; N607-S625 PolarHBondContact OD1-OG 3.21Å |
| 608 | M | 78.7 | Confident | 76.8 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.1 | 177.4 | 57.2 | -179.1 | -88.9 | 0 | 0 | 110 | L567 I573 I598 L610 I624 V626 | L567-M608 HydrophobicContact CD2-CB 3.77Å; L567-M608 HydrophobicContact CD2-SD 4.25Å; L567-M608 HydrophobicContact CG-CB 4.5Å; I573-M608 HydrophobicContact CD1-CE 3.53Å; I573-M608 HydrophobicContact CG1-CE 4.07Å; I598-M608 HydrophobicContact CD1-SD 4.33Å; M608-L610 HydrophobicContact CE-CD1 3.99Å; M608-L610 HydrophobicContact CE-CD2 3.92Å; M608-L610 HydrophobicContact CE-CG 4.01Å; M608-I624 HydrophobicContact CE-CD1 4.4Å; M608-I624 HydrophobicContact CG-CB 3.88Å; M608-I624 HydrophobicContact CG-CG2 4.49Å; M608-I624 WeakPolarHBondContact CG-O 3.45Å; M608-I624 PolarHBondContact N-O 2.81Å; M608-I624 PolarHBondContact O-N 2.98Å; M608-V626 HydrophobicContact SD-CG2 4.39Å |
| 609 | T | 80.7 | Confident | 75.8 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 14% | 0.135 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.1 | -178.6 | 36.7 | 0 | 0 | 0 | 0 | 111.8 | Q564 Q565 V622 E623 | Q564-T609 PolarHBondContact N-O 2.57Å; Q565-T609 WeakPolarHBondContact CB-OG1 2.96Å; Q565-T609 VanDerWaalsContact CD-OG1 3.29Å; Q565-T609 VanDerWaalsContact CG-OG1 3.26Å; Q565-T609 WeakPolarHBondContact CG-OG1 3.07Å; Q565-T609 PolarHBondContact N-OG1 3.32Å; Q565-T609 PolarHBondContact OE1-OG1 2.99Å; T609-V622 CarbonylContact C-O 3.01Å; T609-V622 WeakPolarHBondContact CA-O 3.09Å; T609-E623 HydrophobicContact CG2-CB 4.03Å; T609-E623 HydrophobicContact CG2-CG 4.13Å |
| 610 | L | 83.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.5 | 177.9 | -59.7 | -175.8 | 0 | 0 | 0 | 110.8 | M542 F547 I561 Y562 V563 I573 M608 V622 I624 | M542-L610 HydrophobicContact CE-CD1 4.33Å; F547-L610 HydrophobicContact CD2-CD1 4.1Å; F547-L610 HydrophobicContact CE2-CD1 3.58Å; F547-L610 HydrophobicContact CZ-CD1 3.83Å; I561-L610 HydrophobicContact CG2-CB 4.39Å; I561-L610 HydrophobicContact CG2-CD1 4.3Å; I561-L610 HydrophobicContact CG2-CD2 4.41Å; Y562-L610 CarbonylContact O-C 3.55Å; Y562-L610 WeakPolarHBondContact O-CA 3.47Å; V563-L610 HydrophobicContact CB-CD2 4.26Å; V563-L610 HydrophobicContact CG1-CD2 4.41Å; V563-L610 HydrophobicContact CG2-CD2 3.75Å; I573-L610 HydrophobicContact CD1-CD2 4.42Å; M608-L610 HydrophobicContact CE-CD1 3.99Å; M608-L610 HydrophobicContact CE-CD2 3.92Å; M608-L610 HydrophobicContact CE-CG 4.01Å; L610-V622 PolarHBondContact N-O 3.44Å; L610-V622 PolarHBondContact O-N 2.87Å; L610-I624 HydrophobicContact CD1-CD1 3.75Å; L610-I624 HydrophobicContact CG-CD1 4.38Å |
| 611 | H | 84.1 | Confident | 74.9 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.5 | 175.4 | -177.6 | -116.1 | 0 | 0 | 0 | 109.2 | I561 Y562 Q564 V613 L621 | I561-H611 WeakPolarHBondContact CA-O 3.46Å; Y562-H611 PolarHBondContact N-O 3.29Å; Y562-H611 PolarHBondContact O-N 2.8Å; Q564-H611 HydrophobicContact CG-CB 4.34Å; H611-V613 VanDerWaalsContact CE1-CG2 3.43Å; H611-V613 WeakPolarHBondContact CE1-CG2 3.42Å; H611-L621 HydrophobicContact CB-CD2 3.82Å; H611-L621 VanDerWaalsContact CD2-CD2 3.47Å; H611-L621 WeakPolarHBondContact CD2-CD2 3.28Å |
| 612 | V | 83 | Confident | 74.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.6 | -171.9 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | P522 V524 F547 I549 I559 Q560 I561 G619 | P522-V612 HydrophobicContact CB-CG1 3.9Å; P522-V612 HydrophobicContact CG-CG1 4.17Å; V524-V612 HydrophobicContact CG2-CB 3.75Å; V524-V612 HydrophobicContact CG2-CG1 4.07Å; V524-V612 HydrophobicContact CG2-CG2 3.62Å; F547-V612 HydrophobicContact CZ-CG2 3.94Å; I549-V612 HydrophobicContact CD1-CB 4.4Å; I549-V612 HydrophobicContact CD1-CG1 3.6Å; I549-V612 HydrophobicContact CD1-CG2 3.84Å; I549-V612 HydrophobicContact CG1-CG1 4.06Å; I549-V612 HydrophobicContact CG1-CG2 4.23Å; I549-V612 HydrophobicContact CG2-CG1 3.97Å; I559-V612 HydrophobicContact CG2-CG1 4.04Å; Q560-V612 WeakPolarHBondContact O-CA 3.47Å; I561-V612 HydrophobicContact CG1-CG2 4.47Å; I561-V612 HydrophobicContact CG2-CG2 4.43Å; V612-G619 WeakPolarHBondContact O-CA 2.93Å; V612-G619 PolarHBondContact O-N 3.01Å |
| 613 | V | 82.3 | Confident | 74.8 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 22% | 0.218 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.9 | -173.9 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | Q560 H611 | Q560-V613 PolarHBondContact N-O 2.81Å; Q560-V613 PolarHBondContact O-N 3.17Å; Q560-V613 VanDerWaalsContact O-N 3.08Å; H611-V613 VanDerWaalsContact CE1-CG2 3.43Å; H611-V613 WeakPolarHBondContact CE1-CG2 3.42Å |
| 614 | D | 77.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | trans | -105.5 | -159.8 | 173.1 | 68.9 | -68.9 | 0 | 0 | 0 | 111.1 | P522 Y616 G617 | P522-D614 WeakPolarHBondContact CD-OD1 3.34Å; P522-D614 HydrophobicContact CG-CB 3.99Å; P522-D614 WeakPolarHBondContact CG-OD1 3.15Å; D614-Y616 WeakPolarHBondContact OD2-CA 2.98Å; D614-Y616 PolarHBondContact OD2-N 2.8Å; D614-G617 VanDerWaalsContact OD1-CA 3.28Å; D614-G617 WeakPolarHBondContact OD1-CA 3.02Å; D614-G617 PolarHBondContact OD1-N 3.32Å; D614-G617 PolarHBondContact OD2-N 2.79Å | ||
| 615 | N | 71.4 | Confident | 75 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -93.6 | -14.9 | -178.2 | -82.7 | -29.1 | 0 | 0 | 0 | 115 | N558 | N558-N615 WeakPolarHBondContact CB-ND2 3.46Å; N558-N615 VanDerWaalsContact CG-ND2 3.28Å; N558-N615 PolarHBondContact ND2-ND2 2.85Å |
| 616 | Y | 67.1 | Low | 75.1 | Confident | 195 Ų | 195 | 48.3 Ų | 48.3 | 77% | 0.765 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -127.5 | -23.9 | -170.5 | -63 | -74.1 | 0 | 0 | 0 | 113.8 | D614 | D614-Y616 WeakPolarHBondContact OD2-CA 2.98Å; D614-Y616 PolarHBondContact OD2-N 2.8Å |
| 617 | G | 62.2 | Low | 75.1 | Confident | 29 Ų | 29 | 51 Ų | 51 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -124 | -161.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D614 | D614-G617 VanDerWaalsContact OD1-CA 3.28Å; D614-G617 WeakPolarHBondContact OD1-CA 3.02Å; D614-G617 PolarHBondContact OD1-N 3.32Å; D614-G617 PolarHBondContact OD2-N 2.79Å | ||
| 618 | Q | 66.9 | Low | 74.9 | Confident | 150 Ų | 150 | 48.1 Ų | 48.1 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | trans | -144.5 | 126 | 167 | -70.2 | -171 | -10.5 | 0 | 0 | 108.5 | ||||
| 619 | G | 62.7 | Low | 74.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 162.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V612 | V612-G619 WeakPolarHBondContact O-CA 2.93Å; V612-G619 PolarHBondContact O-N 3.01Å |
| 620 | P | 67.5 | Low | 73.7 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.4 | 176.6 | 27.7 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 621 | L | 75.7 | Confident | 72.7 | Confident | 109 Ų | 109 | 61 Ų | 61 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.3 | 165.6 | -77.9 | 166.1 | 0 | 0 | 0 | 110.2 | H611 | H611-L621 HydrophobicContact CB-CD2 3.82Å; H611-L621 VanDerWaalsContact CD2-CD2 3.47Å; H611-L621 WeakPolarHBondContact CD2-CD2 3.28Å |
| 622 | V | 73.7 | Confident | 71.9 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 114.3 | -170.9 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | V524 L526 F547 T609 L610 I624 | V524-V622 HydrophobicContact CB-CG2 3.78Å; V524-V622 HydrophobicContact CG1-CB 4.49Å; V524-V622 HydrophobicContact CG1-CG1 4.35Å; V524-V622 HydrophobicContact CG1-CG2 3.82Å; V524-V622 HydrophobicContact CG2-CG2 4.17Å; L526-V622 HydrophobicContact CD1-CG1 3.45Å; L526-V622 VanDerWaalsContact CD1-CG1 3.45Å; L526-V622 HydrophobicContact CD2-CG1 3.9Å; L526-V622 HydrophobicContact CG-CG1 4Å; F547-V622 HydrophobicContact CE2-CG1 4.37Å; T609-V622 CarbonylContact C-O 3.01Å; T609-V622 WeakPolarHBondContact CA-O 3.09Å; L610-V622 PolarHBondContact N-O 3.44Å; L610-V622 PolarHBondContact O-N 2.87Å; V622-I624 HydrophobicContact CG1-CD1 4.33Å; V622-I624 HydrophobicContact CG1-CG1 3.87Å |
| 623 | E | 77.7 | Confident | 71.5 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.9 | 168.4 | -170.7 | 173.9 | -166.1 | 0 | 0 | 110.3 | N607 T609 | N607-E623 HydrophobicContact CB-CG 4.44Å; N607-E623 WeakPolarHBondContact CB-OE1 2.91Å; N607-E623 PolarHBondContact ND2-OE1 2.96Å; T609-E623 HydrophobicContact CG2-CB 4.03Å; T609-E623 HydrophobicContact CG2-CG 4.13Å |
| 624 | I | 77 | Confident | 71.3 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.5 | 177.6 | -54.7 | -177.2 | 0 | 0 | 0 | 108.5 | L526 G530 L532 F547 N607 M608 L610 V622 | L526-I624 HydrophobicContact CD2-CD1 3.81Å; L526-I624 HydrophobicContact CD2-CG1 3.9Å; G530-I624 CarbonylContact O-C 3.56Å; G530-I624 WeakPolarHBondContact O-CA 3.09Å; L532-I624 HydrophobicContact CB-CG2 4.32Å; L532-I624 HydrophobicContact CD1-CG2 3.61Å; L532-I624 HydrophobicContact CG-CG2 3.6Å; F547-I624 HydrophobicContact CD2-CD1 3.69Å; F547-I624 HydrophobicContact CE2-CD1 4.03Å; N607-I624 CarbonylContact C-O 3.55Å; N607-I624 WeakPolarHBondContact CA-O 3.17Å; M608-I624 HydrophobicContact CE-CD1 4.4Å; M608-I624 HydrophobicContact CG-CB 3.88Å; M608-I624 HydrophobicContact CG-CG2 4.49Å; M608-I624 WeakPolarHBondContact CG-O 3.45Å; M608-I624 PolarHBondContact N-O 2.81Å; M608-I624 PolarHBondContact O-N 2.98Å; L610-I624 HydrophobicContact CD1-CD1 3.75Å; L610-I624 HydrophobicContact CG-CD1 4.38Å; V622-I624 HydrophobicContact CG1-CD1 4.33Å; V622-I624 HydrophobicContact CG1-CG1 3.87Å |
| 625 | S | 78.7 | Confident | 71.5 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.9 | 175.4 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | G530 T531 L532 A606 N607 | G530-S625 PolarHBondContact O-N 3.13Å; T531-S625 CarbonylContact C-O 3.59Å; T531-S625 WeakPolarHBondContact CA-O 3.48Å; L532-S625 PolarHBondContact N-O 2.73Å; A606-S625 CarbonylContact O-C 2.91Å; A606-S625 WeakPolarHBondContact O-CA 3.45Å; N607-S625 WeakPolarHBondContact OD1-CB 3.01Å; N607-S625 PolarHBondContact OD1-OG 3.21Å |
| 626 | V | 75.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.4 | 177.4 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | L532 L534 V571 T605 A606 M608 I628 | L532-V626 HydrophobicContact CB-CG2 4.3Å; L532-V626 HydrophobicContact CD1-CG2 4.44Å; L534-V626 HydrophobicContact CD1-CG1 3.82Å; V571-V626 HydrophobicContact CG1-CG2 4.34Å; V571-V626 HydrophobicContact CG2-CB 4.31Å; V571-V626 HydrophobicContact CG2-CG1 4.1Å; T605-V626 CarbonylContact C-O 3.35Å; T605-V626 VanDerWaalsContact CA-O 3.27Å; T605-V626 WeakPolarHBondContact CA-O 2.72Å; A606-V626 PolarHBondContact N-O 2.97Å; A606-V626 PolarHBondContact O-N 3.44Å; M608-V626 HydrophobicContact SD-CG2 4.39Å; V626-I628 HydrophobicContact CG1-CD1 4.28Å |
| 627 | Q | 76.2 | Confident | 72.3 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.4 | 174 | -66.6 | -174.4 | 9 | 0 | 0 | 111.3 | T531 L532 H533 L534 W604 T605 | T531-Q627 HydrophobicContact CG2-CB 4.14Å; T531-Q627 HydrophobicContact CG2-CG 3.59Å; L532-Q627 PolarHBondContact O-N 2.88Å; H533-Q627 WeakPolarHBondContact CA-O 3.12Å; L534-Q627 PolarHBondContact N-O 3.16Å; W604-Q627 WeakPolarHBondContact O-CA 2.69Å; T605-Q627 HydrophobicContact CG2-CG 4.37Å |
| 628 | I | 71.9 | Confident | 73.1 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.3 | -176.8 | -51.1 | -56.7 | 0 | 0 | 0 | 111.3 | L534 Q536 H600 W604 V626 | L534-I628 HydrophobicContact CB-CD1 3.68Å; Q536-I628 HydrophobicContact CB-CG2 3.84Å; Q536-I628 HydrophobicContact CG-CG2 4.09Å; H600-I628 HydrophobicContact CB-CD1 4.11Å; H600-I628 VanDerWaalsContact CD2-CD1 3.44Å; H600-I628 WeakPolarHBondContact CD2-CD1 3.33Å; W604-I628 HydrophobicContact CE3-CB 4.14Å; W604-I628 HydrophobicContact CE3-CG2 4.38Å; W604-I628 HydrophobicContact CZ3-CG2 4.43Å; W604-I628 PolarHBondContact O-N 2.91Å; W604-I628 VanDerWaalsContact O-N 3.08Å; V626-I628 HydrophobicContact CG1-CD1 4.28Å |
| 629 | H | 65.5 | Low | 73.7 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 40% | 0.403 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 171.3 | -171.9 | -73.2 | -94.9 | 0 | 0 | 0 | 113.9 | H533 L534 Q536 | H533-H629 AromaticContact CG-CD2 3.66Å; H533-H629 AromaticContact ND1-CD2 3.48Å; H533-H629 PolarHBondContact ND1-CD2 2.71Å; L534-H629 PolarHBondContact O-N 2.88Å; Q536-H629 PolarHBondContact N-O 3.02Å; Q536-H629 VanDerWaalsContact N-O 3.17Å |
| 630 | R | 68.5 | Low | 74.6 | Confident | 179 Ų | 179 | 73.6 Ų | 73.6 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | trans | -119.7 | 141.1 | 170.8 | -60.8 | -178.4 | -178.3 | 175.6 | 0.8 | 109.4 | ||||
| 631 | A | 61.3 | Low | 75.5 | Confident | 30 Ų | 30 | 70 Ų | 70 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | trans | -64.2 | 154.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L535 V734 | L535-A631 HydrophobicContact CD2-CB 4.22Å; A631-V734 HydrophobicContact CB-CG2 3.82Å | ||
| 632 | R | 68.2 | Low | 75.7 | Confident | 179 Ų | 179 | 69.5 Ų | 69.5 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | trans | -148.8 | 136.1 | 179.7 | -63.8 | -175.8 | -177.8 | 177.5 | 1 | 111.1 | P661 | R632-P661 WeakPolarHBondContact O-CD 3.15Š| ||
| 633 | I | 73.7 | Confident | 76 | Confident | 34 Ų | 34 | 69 Ų | 69 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | trans | -73.5 | 133.8 | 176 | -48.8 | -164.5 | 0 | 0 | 0 | 110.3 | Y658 I660 I727 V734 | I633-Y658 HydrophobicContact CG2-CD1 3.9Å; I633-I660 HydrophobicContact CB-CG1 4.32Å; I633-I660 HydrophobicContact CD1-CD1 3.94Å; I633-I660 HydrophobicContact CD1-CG1 4.27Å; I633-I660 HydrophobicContact CG1-CD1 4.17Å; I633-I660 HydrophobicContact CG1-CG1 3.99Å; I633-I660 HydrophobicContact CG2-CG1 3.96Å; I633-I727 HydrophobicContact CD1-CB 4.47Å; I633-I727 HydrophobicContact CD1-CG2 4.22Å; I633-I727 VanDerWaalsContact CD1-O 3.23Å; I633-I727 WeakPolarHBondContact CD1-O 3.49Å; I633-I727 HydrophobicContact CG2-CG2 3.82Å; I633-V734 HydrophobicContact CD1-CB 4.38Å; I633-V734 HydrophobicContact CD1-CG1 4.17Å; I633-V734 HydrophobicContact CG1-CB 4.2Å; I633-V734 HydrophobicContact CG1-CG1 3.67Å | ||
| 634 | R | 78.3 | Confident | 75.5 | Confident | 166 Ų | 166 | 64.1 Ų | 64.1 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.6 | 172.3 | -72.5 | -179.2 | 164.7 | -178.5 | -3.7 | 110.5 | Y658 S659 | R634-Y658 CarbonylContact O-C 3.52Å; R634-Y658 VanDerWaalsContact O-CA 3.26Å; R634-Y658 WeakPolarHBondContact O-CA 3.3Å; R634-Y658 WeakPolarHBondContact O-CB 3.08Å; R634-Y658 VanDerWaalsContact O-CD1 3.31Å; R634-Y658 WeakPolarHBondContact O-CD1 2.76Å; R634-S659 PolarHBondContact N-O 2.91Å; R634-S659 PolarHBondContact O-N 2.89Å |
| 635 | R | 82.5 | Confident | 75.1 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 54% | 0.543 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117.7 | 170.5 | -174.1 | -172.5 | 73.9 | -157.8 | 1.8 | 108.7 | Y658 | R635-Y658 HydrophobicContact CB-CD1 3.9Å; R635-Y658 HydrophobicContact CB-CE1 3.78Å; R635-Y658 HydrophobicContact CB-CE2 4.48Å; R635-Y658 HydrophobicContact CB-CG 4.33Å; R635-Y658 HydrophobicContact CG-CD1 4.19Å; R635-Y658 HydrophobicContact CG-CD2 4.07Å; R635-Y658 HydrophobicContact CG-CE1 3.94Å; R635-Y658 HydrophobicContact CG-CE2 3.76Å; R635-Y658 HydrophobicContact CG-CG 4.27Å |
| 636 | L | 77.4 | Confident | 74.7 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -46.5 | -177.1 | -65 | 176.6 | 0 | 0 | 0 | 111 | S657 | L636-S657 WeakPolarHBondContact CD1-OG 2.6Å; L636-S657 PolarHBondContact N-O 3.02Å |
| 637 | H | 77.6 | Confident | 74.4 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.8 | -178.7 | -56.5 | 110.9 | 0 | 0 | 0 | 112.6 | E653 K654 S657 | H637-E653 WeakPolarHBondContact CB-O 2.53Å; H637-E653 PolarHBondContact ND1-O 2.92Å; H637-K654 VanDerWaalsContact CB-CA 3.45Å; H637-K654 HydrophobicContact CB-CB 3.88Å; H637-K654 HydrophobicContact CB-CG 4.39Å; H637-S657 PolarHBondContact N-O 2.86Å |
| 638 | K | 78.5 | Confident | 74.9 | Confident | 75 Ų | 75 | 73 Ų | 73 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | trans | -158.5 | 88.5 | 168.9 | 178.1 | 166.1 | 170.8 | 157.5 | 0 | 110.3 | E739 | K638-E739 VanDerWaalsContact CE-O 3.31Å; K638-E739 WeakPolarHBondContact CE-O 3.3Å; K638-E739 PolarHBondContact NZ-O 2.85Å; K638-E739 IonicContact NZ-OE2 2.63Å; K638-E739 PolarHBondContact NZ-OE2 3.17Å | ||
| 639 | A | 80.4 | Confident | 75.5 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 158.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K654 | A639-K654 VanDerWaalsContact CB-O 3.3Å; A639-K654 WeakPolarHBondContact CB-O 2.89Å; A639-K654 PolarHBondContact N-O 2.87Å |
| 640 | A | 81.2 | Confident | 76.6 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 137.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E642 H655 L741 | A640-E642 HydrophobicContact CB-CG 4.47Å; A640-H655 PolarHBondContact O-CD2 2.91Å; A640-H655 VanDerWaalsContact O-CD2 3.29Å; A640-L741 HydrophobicContact CB-CD2 4.32Å |
| 641 | L | 86 | Confident | 77.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.8 | 161.2 | -140.4 | 54.1 | 0 | 0 | 0 | 103.1 | I651 H655 Y710 L740 L741 V742 K743 E2349 | L641-I651 HydrophobicContact CD2-CG1 4.36Å; L641-H655 HydrophobicContact CD1-CB 3.77Å; L641-H655 WeakPolarHBondContact CD1-ND1 3.37Å; L641-Y710 HydrophobicContact CD2-CD1 4.06Å; L641-L740 HydrophobicContact CD2-CD1 4.05Å; L641-L740 HydrophobicContact CD2-CD2 3.8Å; L641-L740 HydrophobicContact CD2-CG 3.9Å; L641-L741 VanDerWaalsContact CB-O 3.26Å; L641-L741 WeakPolarHBondContact CB-O 3.09Å; L641-L741 PolarHBondContact N-O 2.9Å; L641-V742 HydrophobicContact CD2-CG2 4.49Å; L641-K743 WeakPolarHBondContact O-CB 3.17Å; L641-K743 PolarHBondContact O-N 3.33Å; L641-K743 VanDerWaalsContact O-N 3.12Å; L641-E2349 VanDerWaalsContact C-OE1 3.26Å; L641-E2349 VanDerWaalsContact CA-CG 3.5Å; L641-E2349 HydrophobicContact CB-CB 4.41Å; L641-E2349 HydrophobicContact CB-CG 3.36Å; L641-E2349 VanDerWaalsContact CB-OE2 3.26Å; L641-E2349 WeakPolarHBondContact CB-OE2 3.42Å; L641-E2349 HydrophobicContact CD1-CG 4.44Å; L641-E2349 WeakPolarHBondContact CD1-O 3.42Å; L641-E2349 HydrophobicContact CD2-CG 4.34Å; L641-E2349 VanDerWaalsContact CD2-OE2 3.3Å; L641-E2349 WeakPolarHBondContact CD2-OE2 3.46Å; L641-E2349 HydrophobicContact CG-CB 3.9Å; L641-E2349 HydrophobicContact CG-CG 3.37Å; L641-E2349 WeakPolarHBondContact CG-O 3.47Å; L641-E2349 WeakPolarHBondContact CG-OE2 3.44Å |
| 642 | E | 80.3 | Confident | 78.8 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.2 | 176.2 | -54.1 | -151.4 | 159.9 | 0 | 0 | 115.4 | A640 K743 E2349 | A640-E642 HydrophobicContact CB-CG 4.47Å; E642-K743 HydrophobicContact CG-CB 4.45Å; E642-K743 HydrophobicContact CG-CD 3.89Å; E642-K743 WeakPolarHBondContact OE1-CD 3.43Å; E642-K743 WeakPolarHBondContact OE1-CE 3.24Å; E642-K743 IonicContact OE1-NZ 3.23Å; E642-K743 PolarHBondContact OE1-NZ 2.77Å; E642-K743 IonicContact OE2-NZ 3.88Å; E642-K743 PolarHBondContact OE2-NZ 2.77Å; E642-E2349 VanDerWaalsContact C-CG 3.48Å; E642-E2349 WeakPolarHBondContact O-CA 3.49Å |
| 643 | L | 79.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 148.2 | -155.3 | 113.4 | 83.7 | 0 | 0 | 0 | 116.3 | V742 K743 L744 V745 E2347 V2348 E2349 | L643-V742 HydrophobicContact CD2-CG1 3.74Å; L643-K743 PolarHBondContact N-O 3.47Å; L643-L744 HydrophobicContact CD1-CD2 4.05Å; L643-L744 HydrophobicContact CD2-CD2 3.54Å; L643-L744 HydrophobicContact CD2-CG 4.31Å; L643-L744 HydrophobicContact CG-CD2 3.79Å; L643-L744 CarbonylContact O-C 3.49Å; L643-L744 WeakPolarHBondContact O-CA 3.45Å; L643-V745 VanDerWaalsContact C-CG2 3.49Å; L643-V745 WeakPolarHBondContact O-CG2 3.12Å; L643-V745 PolarHBondContact O-N 2.84Å; L643-E2347 HydrophobicContact CD1-CB 3.5Å; L643-E2347 HydrophobicContact CD1-CG 3.25Å; L643-E2347 HydrophobicContact CD2-CB 4.14Å; L643-E2347 HydrophobicContact CD2-CG 4.13Å; L643-E2347 HydrophobicContact CG-CB 4.49Å; L643-E2347 HydrophobicContact CG-CG 4.25Å; L643-V2348 HydrophobicContact CD2-CG2 4.1Å; L643-E2349 HydrophobicContact CB-CB 3.26Å; L643-E2349 HydrophobicContact CB-CG 3.37Å; L643-E2349 HydrophobicContact CD2-CB 3.93Å; L643-E2349 VanDerWaalsContact CD2-CD 3.46Å; L643-E2349 HydrophobicContact CD2-CG 4.08Å; L643-E2349 VanDerWaalsContact CD2-OE1 3.3Å; L643-E2349 WeakPolarHBondContact CD2-OE1 3.33Å; L643-E2349 HydrophobicContact CG-CB 4.13Å; L643-E2349 HydrophobicContact CG-CG 4.31Å |
| 644 | P | 67.7 | Low | 80.2 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.6 | 165.3 | 33.2 | -26.2 | 0 | 0 | 0 | 114.6 | R646 S647 V745 K747 | P644-R646 CarbonylContact O-C 3.58Å; P644-R646 PolarHBondContact O-N 3.2Å; P644-S647 WeakPolarHBondContact O-CB 3.44Å; P644-V745 WeakPolarHBondContact CA-O 3.34Å; P644-K747 HydrophobicContact CB-CD 3.97Å; P644-K747 HydrophobicContact CB-CG 3.37Å; P644-K747 HydrophobicContact CG-CG 4.27Å |
| 645 | K | 68.2 | Low | 80.6 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -36.2 | 128.7 | 172.9 | -71.3 | -175.1 | -162.2 | 165.1 | 0 | 111.3 | G716 Y718 L744 K747 D854 | K645-G716 WeakPolarHBondContact CE-O 3.38Å; K645-G716 PolarHBondContact NZ-O 2.83Å; K645-Y718 HydrophobicContact CD-CD1 4.35Å; K645-Y718 HydrophobicContact CD-CE1 3.84Å; K645-Y718 HydrophobicContact CD-CE2 4.4Å; K645-Y718 VanDerWaalsContact CE-CE1 3.48Å; K645-Y718 VanDerWaalsContact CE-CE2 3.45Å; K645-Y718 VanDerWaalsContact CE-CZ 3.4Å; K645-Y718 HydrophobicContact CG-CD1 4.12Å; K645-Y718 HydrophobicContact CG-CE1 3.7Å; K645-Y718 VanDerWaalsContact NZ-CE2 3.25Å; K645-L744 HydrophobicContact CG-CD2 4.32Å; K645-K747 PolarHBondContact O-NZ 2.89Å; K645-D854 IonicContact NZ-OD2 2.75Å; K645-D854 PolarHBondContact NZ-OD2 3.22Å |
| 646 | R | 69.8 | Low | 80.8 | Confident | 110 Ų | 110 | 43 Ų | 43 | 42% | 0.415 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 50.6 | 89.4 | -169 | -53.2 | 177.3 | -177.2 | -176.1 | -5.1 | 113.5 | P644 D715 K747 A2346 E2347 | P644-R646 CarbonylContact O-C 3.58Å; P644-R646 PolarHBondContact O-N 3.2Å; R646-D715 IonicContact CZ-OD1 2.74Å; R646-D715 VanDerWaalsContact CZ-OD1 3.26Å; R646-D715 IonicContact CZ-OD2 2.7Å; R646-D715 IonicContact NE-OD1 3.57Å; R646-D715 PolarHBondContact NE-OD1 2.82Å; R646-D715 VanDerWaalsContact NE-OD1 3.09Å; R646-D715 IonicContact NH2-OD1 2.92Å; R646-D715 PolarHBondContact NH2-OD1 3.17Å; R646-D715 IonicContact NH2-OD2 4Å; R646-D715 PolarHBondContact NH2-OD2 3.12Å; R646-K747 PolarHBondContact O-NZ 3.25Å; R646-A2346 CarbonylContact C-O 3.54Å; R646-A2346 VanDerWaalsContact CA-C 3.48Å; R646-A2346 WeakPolarHBondContact CA-O 3.35Å; R646-E2347 PolarHBondContact N-OE2 2.66Å |
| 647 | S | 71 | Confident | 81.2 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | trans | -160.4 | -171 | -179 | -177 | 0 | 0 | 0 | 0 | 111.5 | P644 N779 A2346 E2347 V2348 | P644-S647 WeakPolarHBondContact O-CB 3.44Å; S647-N779 PolarHBondContact OG-ND2 2.91Å; S647-A2346 CarbonylContact C-O 3.6Å; S647-A2346 WeakPolarHBondContact CA-O 3.41Å; S647-A2346 PolarHBondContact N-O 3.08Å; S647-A2346 CarbonylContact O-C 3.57Å; S647-E2347 VanDerWaalsContact N-CA 3.33Å; S647-E2347 CarbonylContact O-C 3.53Å; S647-E2347 WeakPolarHBondContact O-CA 3.42Å; S647-E2347 PolarHBondContact O-N 3.29Å; S647-V2348 CarbonylContact C-O 3.36Å; S647-V2348 WeakPolarHBondContact CB-O 3.23Å; S647-V2348 PolarHBondContact O-N 2.95Å; S647-V2348 PolarHBondContact OG-O 2.94Å | ||
| 648 | F | 85 | Confident | 81.7 | Confident | 123 Ų | 123 | 36.2 Ų | 36.2 | 54% | 0.539 | 18% | 0.181 | S | C | . | . | trans | -158.2 | 158.6 | 156 | 68.6 | -87.8 | 0 | 0 | 0 | 112.1 | V2348 | F648-V2348 CarbonylContact C-O 3.48Å; F648-V2348 VanDerWaalsContact CA-C 3.48Å; F648-V2348 VanDerWaalsContact CA-N 3.34Å; F648-V2348 WeakPolarHBondContact CA-O 3.09Å; F648-V2348 HydrophobicContact CB-CB 4.5Å; F648-V2348 PolarHBondContact N-O 2.74Å | ||
| 649 | A | 84.6 | Confident | 81.9 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -173.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | R709 Y710 V2348 S2350 | A649-R709 WeakPolarHBondContact O-CA 3.48Å; A649-R709 WeakPolarHBondContact O-CB 3.34Å; A649-Y710 PolarHBondContact O-N 2.88Å; A649-V2348 HydrophobicContact CB-CG1 4.19Å; A649-V2348 WeakPolarHBondContact O-CG1 3.2Å; A649-S2350 WeakPolarHBondContact CB-OG 2.85Å |
| 650 | L | 88.4 | Confident | 81.7 | Confident | 46 Ų | 46 | 30.8 Ų | 30.8 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.2 | -151.4 | -58.3 | 165.1 | 0 | 0 | 0 | 112.2 | T652 W692 V708 R709 S2350 N2351 | L650-T652 HydrophobicContact CB-CG2 4.33Å; L650-T652 PolarHBondContact O-N 3.01Å; L650-W692 HydrophobicContact CD2-CH2 3.52Å; L650-W692 HydrophobicContact CD2-CZ2 4.25Å; L650-W692 HydrophobicContact CD2-CZ3 4.31Å; L650-V708 CarbonylContact C-O 3.54Å; L650-V708 WeakPolarHBondContact CA-O 3.49Å; L650-R709 HydrophobicContact CD2-CB 4.13Å; L650-S2350 PolarHBondContact N-OG 3.28Å; L650-S2350 WeakPolarHBondContact O-CB 2.97Å; L650-S2350 PolarHBondContact O-OG 2.95Å; L650-S2350 VanDerWaalsContact O-OG 3.13Å; L650-N2351 PolarHBondContact O-ND2 2.8Å; L650-N2351 PolarHBondContact O-OD1 3Å |
| 651 | I | 89.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -70.4 | 105.9 | 173.5 | -54.4 | 176.4 | 0 | 0 | 0 | 108.4 | L641 L656 F683 I703 V708 L740 | L641-I651 HydrophobicContact CD2-CG1 4.36Å; I651-L656 HydrophobicContact CG2-CB 3.86Å; I651-L656 HydrophobicContact CG2-CD2 4.35Å; I651-F683 HydrophobicContact CD1-CD1 3.64Å; I651-F683 HydrophobicContact CD1-CE1 3.63Å; I651-I703 HydrophobicContact CG2-CG1 4.5Å; I651-I703 WeakPolarHBondContact O-CG2 3.24Å; I651-V708 HydrophobicContact CB-CB 4.32Å; I651-V708 HydrophobicContact CB-CG1 4.36Å; I651-V708 HydrophobicContact CD1-CG1 3.93Å; I651-V708 HydrophobicContact CG1-CG1 4.43Å; I651-V708 PolarHBondContact N-O 3.37Å; I651-L740 HydrophobicContact CD1-CD2 3.64Å; I651-L740 HydrophobicContact CG1-CD2 4.33Å | ||
| 652 | T | 88.4 | Confident | 79.7 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.086 | 17% | 0.166 | C | C | . | . | trans | -119.7 | 172.9 | 170.1 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | L650 K654 H655 R706 N2351 I2352 | L650-T652 HydrophobicContact CB-CG2 4.33Å; L650-T652 PolarHBondContact O-N 3.01Å; T652-K654 PolarHBondContact O-N 2.88Å; T652-H655 PolarHBondContact O-N 2.8Å; T652-H655 VanDerWaalsContact O-N 3.12Å; T652-R706 HydrophobicContact CG2-CB 4.43Å; T652-R706 HydrophobicContact CG2-CG 3.92Å; T652-N2351 PolarHBondContact OG1-OD1 3.38Å; T652-I2352 WeakPolarHBondContact O-CD1 3.16Å; T652-I2352 VanDerWaalsContact OG1-CD1 3.28Å; T652-I2352 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 653 | E | 86.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 30.2 Ų | 30.2 | 28% | 0.28 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -11.9 | -154.1 | -63.7 | -174.3 | 109.1 | 0 | 0 | 118.8 | H637 S657 I703 R704 | H637-E653 WeakPolarHBondContact CB-O 2.53Å; H637-E653 PolarHBondContact ND1-O 2.92Å; E653-S657 WeakPolarHBondContact O-CB 2.71Å; E653-I703 HydrophobicContact CG-CG2 4.3Å; E653-R704 HydrophobicContact CG-CG 3.79Å; E653-R704 VanDerWaalsContact OE1-CG 3.25Å; E653-R704 WeakPolarHBondContact OE1-CG 3.35Å; E653-R704 IonicContact OE1-CZ 3.34Å; E653-R704 IonicContact OE1-NE 3.13Å; E653-R704 PolarHBondContact OE1-NE 3Å; E653-R704 IonicContact OE1-NH2 2.68Å; E653-R704 PolarHBondContact OE1-NH2 3.28Å |
| 654 | K | 83.2 | Confident | 77.3 | Confident | 55 Ų | 55 | 35.7 Ų | 35.7 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -6.5 | 177.3 | -40.1 | 105.8 | -171.7 | 172.8 | 0 | 115.9 | H637 A639 T652 I2352 T2353 | H637-K654 VanDerWaalsContact CB-CA 3.45Å; H637-K654 HydrophobicContact CB-CB 3.88Å; H637-K654 HydrophobicContact CB-CG 4.39Å; A639-K654 VanDerWaalsContact CB-O 3.3Å; A639-K654 WeakPolarHBondContact CB-O 2.89Å; A639-K654 PolarHBondContact N-O 2.87Å; T652-K654 PolarHBondContact O-N 2.88Å; K654-I2352 VanDerWaalsContact CA-CD1 3.48Å; K654-I2352 HydrophobicContact CB-CD1 3.61Å; K654-I2352 HydrophobicContact CB-CG1 3.79Å; K654-I2352 HydrophobicContact CD-CB 4.01Å; K654-I2352 HydrophobicContact CD-CD1 3.78Å; K654-I2352 HydrophobicContact CD-CG1 3.69Å; K654-I2352 HydrophobicContact CD-CG2 3.36Å; K654-I2352 HydrophobicContact CG-CD1 4.22Å; K654-I2352 HydrophobicContact CG-CG1 4.35Å; K654-T2353 HydrophobicContact CD-CG2 4.08Å; K654-T2353 VanDerWaalsContact NZ-CG2 3.34Å; K654-T2353 PolarHBondContact NZ-OG1 2.85Å |
| 655 | H | 87 | Confident | 76.5 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -45.6 | 164.1 | -51.8 | 107.8 | 0 | 0 | 0 | 110.7 | A640 L641 T652 L740 N2351 I2352 | A640-H655 PolarHBondContact O-CD2 2.91Å; A640-H655 VanDerWaalsContact O-CD2 3.29Å; L641-H655 HydrophobicContact CD1-CB 3.77Å; L641-H655 WeakPolarHBondContact CD1-ND1 3.37Å; T652-H655 PolarHBondContact O-N 2.8Å; T652-H655 VanDerWaalsContact O-N 3.12Å; H655-L740 HydrophobicContact CB-CD1 3.97Å; H655-N2351 PolarHBondContact CE1-N 2.02Å; H655-N2351 PolarHBondContact CE1-OD1 3.38Å; H655-N2351 PolarHBondContact ND1-OD1 2.8Å; H655-N2351 PolarHBondContact NE2-N 3.16Å; H655-I2352 VanDerWaalsContact CE1-CD1 3.47Å; H655-I2352 WeakPolarHBondContact CE1-CD1 3.43Å; H655-I2352 WeakPolarHBondContact ND1-CD1 3.5Å |
| 656 | L | 86.4 | Confident | 75.8 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -135.5 | 104.9 | -178.5 | -174.1 | 65.5 | 0 | 0 | 0 | 108.9 | I651 Y658 Y672 F698 I703 L725 L740 | I651-L656 HydrophobicContact CG2-CB 3.86Å; I651-L656 HydrophobicContact CG2-CD2 4.35Å; L656-Y658 HydrophobicContact CD1-CD2 4.16Å; L656-Y658 HydrophobicContact CD1-CE2 3.88Å; L656-Y672 HydrophobicContact CD1-CD1 4.26Å; L656-Y672 HydrophobicContact CD1-CE1 3.81Å; L656-Y672 HydrophobicContact CD2-CD1 4.02Å; L656-Y672 HydrophobicContact CD2-CE1 4.08Å; L656-Y672 HydrophobicContact CD2-CG 4.26Å; L656-Y672 HydrophobicContact CG-CD1 4.27Å; L656-Y672 HydrophobicContact CG-CE1 3.82Å; L656-F698 HydrophobicContact CD2-CE2 3.76Å; L656-F698 HydrophobicContact CD2-CZ 4.11Å; L656-I703 HydrophobicContact CB-CD1 4.31Å; L656-I703 HydrophobicContact CD2-CD1 3.83Å; L656-I703 HydrophobicContact CG-CD1 4.04Å; L656-L725 HydrophobicContact CD1-CD1 4Å; L656-L725 HydrophobicContact CD2-CD1 3.47Å; L656-L725 VanDerWaalsContact CD2-CD1 3.47Å; L656-L725 HydrophobicContact CG-CD1 4.41Å; L656-L740 HydrophobicContact CB-CD1 4.45Å |
| 657 | S | 86.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 136.2 | 165.2 | 177 | 0 | 0 | 0 | 0 | 111.9 | L636 H637 E653 Q700 | L636-S657 WeakPolarHBondContact CD1-OG 2.6Å; L636-S657 PolarHBondContact N-O 3.02Å; H637-S657 PolarHBondContact N-O 2.86Å; E653-S657 WeakPolarHBondContact O-CB 2.71Å; S657-Q700 PolarHBondContact OG-OE1 2.86Å |
| 658 | Y | 88 | Confident | 75.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 156.9 | -177.7 | -77.8 | -111.1 | 0 | 0 | 0 | 108.2 | I633 R634 R635 L656 Y672 Q700 I727 G738 | I633-Y658 HydrophobicContact CG2-CD1 3.9Å; R634-Y658 CarbonylContact O-C 3.52Å; R634-Y658 VanDerWaalsContact O-CA 3.26Å; R634-Y658 WeakPolarHBondContact O-CA 3.3Å; R634-Y658 WeakPolarHBondContact O-CB 3.08Å; R634-Y658 VanDerWaalsContact O-CD1 3.31Å; R634-Y658 WeakPolarHBondContact O-CD1 2.76Å; R635-Y658 HydrophobicContact CB-CD1 3.9Å; R635-Y658 HydrophobicContact CB-CE1 3.78Å; R635-Y658 HydrophobicContact CB-CE2 4.48Å; R635-Y658 HydrophobicContact CB-CG 4.33Å; R635-Y658 HydrophobicContact CG-CD1 4.19Å; R635-Y658 HydrophobicContact CG-CD2 4.07Å; R635-Y658 HydrophobicContact CG-CE1 3.94Å; R635-Y658 HydrophobicContact CG-CE2 3.76Å; R635-Y658 HydrophobicContact CG-CG 4.27Å; L656-Y658 HydrophobicContact CD1-CD2 4.16Å; L656-Y658 HydrophobicContact CD1-CE2 3.88Å; Y658-Y672 AromaticContact CD2-CE1 3.85Å; Y658-Y672 HydrophobicContact CD2-CE1 3.85Å; Y658-Y672 HydrophobicContact CE2-CE1 4.49Å; Y658-Y672 HydrophobicContact CG-CE1 4.39Å; Y658-Y672 PolarHBondContact N-OH 3.12Å; Y658-Y672 VanDerWaalsContact N-OH 3.1Å; Y658-Q700 PolarHBondContact O-OE1 3.23Å; Y658-I727 HydrophobicContact CD1-CB 4.4Å; Y658-I727 HydrophobicContact CD1-CD1 4.36Å; Y658-I727 HydrophobicContact CD1-CG1 4.01Å; Y658-I727 HydrophobicContact CD1-CG2 3.99Å; Y658-I727 HydrophobicContact CD2-CG1 4.23Å; Y658-I727 HydrophobicContact CE1-CD1 3.84Å; Y658-I727 HydrophobicContact CE1-CG1 4.01Å; Y658-I727 HydrophobicContact CE2-CD1 4.23Å; Y658-I727 HydrophobicContact CE2-CG1 4.26Å; Y658-I727 HydrophobicContact CG-CG1 4.12Å; Y658-I727 HydrophobicContact CG-CG2 4.09Å; Y658-G738 VanDerWaalsContact OH-CA 3.3Å; Y658-G738 WeakPolarHBondContact OH-CA 3.48Å |
| 659 | S | 81.8 | Confident | 75 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151 | 170.1 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | R634 E667 | R634-S659 PolarHBondContact N-O 2.91Å; R634-S659 PolarHBondContact O-N 2.89Å; S659-E667 WeakPolarHBondContact CB-OE1 2.97Å; S659-E667 WeakPolarHBondContact CB-OE2 2.85Å; S659-E667 PolarHBondContact OG-OE1 2.99Å |
| 660 | I | 76.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 99.1 | -179.8 | -61 | 174.6 | 0 | 0 | 0 | 106.5 | I633 S662 S668 V670 L732 | I633-I660 HydrophobicContact CB-CG1 4.32Å; I633-I660 HydrophobicContact CD1-CD1 3.94Å; I633-I660 HydrophobicContact CD1-CG1 4.27Å; I633-I660 HydrophobicContact CG1-CD1 4.17Å; I633-I660 HydrophobicContact CG1-CG1 3.99Å; I633-I660 HydrophobicContact CG2-CG1 3.96Å; I660-S662 PolarHBondContact O-N 2.94Å; I660-S668 PolarHBondContact O-N 3.27Å; I660-V670 HydrophobicContact CD1-CG2 4.18Å; I660-V670 HydrophobicContact CG1-CG2 3.98Å; I660-L732 HydrophobicContact CG2-CD1 3.82Å |
| 661 | P | 64.5 | Low | 75.1 | Confident | 50 Ų | 50 | 41 Ų | 41 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121.5 | -177.7 | 25.7 | -33.4 | 0 | 0 | 0 | 110.7 | R632 | R632-P661 WeakPolarHBondContact O-CD 3.15Å |
| 662 | S | 61 | Low | 75.2 | Confident | 44 Ų | 44 | 41 Ų | 41 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | trans | -85.9 | 165.7 | 166.8 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | I660 E664 G665 K666 | I660-S662 PolarHBondContact O-N 2.94Å; S662-E664 PolarHBondContact O-N 3.22Å; S662-G665 PolarHBondContact O-N 2.95Å; S662-K666 WeakPolarHBondContact CB-O 3.25Å; S662-K666 PolarHBondContact N-O 3.04Å | ||
| 663 | A | 53.8 | Low | 75.3 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L535 L540 | L535-A663 HydrophobicContact CD1-CB 4.37Å; L540-A663 HydrophobicContact CD1-CB 4.07Å |
| 664 | E | 54.5 | Low | 75.3 | Confident | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 14.6 | 179.4 | -58 | -165.7 | 147.9 | 0 | 0 | 114.6 | S662 K666 | S662-E664 PolarHBondContact O-N 3.22Å; E664-K666 PolarHBondContact O-N 2.89Å; E664-K666 WeakPolarHBondContact OE2-CE 3.32Å; E664-K666 IonicContact OE2-NZ 3.26Å; E664-K666 PolarHBondContact OE2-NZ 2.66Å |
| 665 | G | 50.9 | Low | 75.4 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 71.5 | -25.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | S662 E667 | S662-G665 PolarHBondContact O-N 2.95Å; G665-E667 PolarHBondContact O-N 2.99Å |
| 666 | K | 53.4 | Low | 75.3 | Confident | 141 Ų | 141 | 49 Ų | 49 | 61% | 0.613 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 123.7 | 166.4 | -61.4 | 169.9 | -169.6 | 155.5 | 0 | 109.4 | S662 E664 S668 | S662-K666 WeakPolarHBondContact CB-O 3.25Å; S662-K666 PolarHBondContact N-O 3.04Å; E664-K666 PolarHBondContact O-N 2.89Å; E664-K666 WeakPolarHBondContact OE2-CE 3.32Å; E664-K666 IonicContact OE2-NZ 3.26Å; E664-K666 PolarHBondContact OE2-NZ 2.66Å; K666-S668 PolarHBondContact O-N 3.37Å |
| 667 | E | 61.2 | Low | 75.1 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.5 | 168.7 | -58.1 | -166.8 | 136.4 | 0 | 0 | 108.6 | S659 G665 R704 | S659-E667 WeakPolarHBondContact CB-OE1 2.97Å; S659-E667 WeakPolarHBondContact CB-OE2 2.85Å; S659-E667 PolarHBondContact OG-OE1 2.99Å; G665-E667 PolarHBondContact O-N 2.99Å; E667-R704 IonicContact OE2-NH2 3.2Å |
| 668 | S | 69.6 | Low | 75.1 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 12% | 0.119 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.4 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | I660 K666 V670 S729 | I660-S668 PolarHBondContact O-N 3.27Å; K666-S668 PolarHBondContact O-N 3.37Å; S668-V670 WeakPolarHBondContact O-CG2 3.43Å; S668-V670 PolarHBondContact O-N 3.43Å; S668-S729 WeakPolarHBondContact OG-CB 3.26Å; S668-S729 PolarHBondContact OG-OG 3.26Å |
| 669 | E | 78.9 | Confident | 74.8 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 134.3 | -178.1 | -176.1 | 157.5 | -133.8 | 0 | 0 | 111.5 | ||
| 670 | V | 85.8 | Confident | 74.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 115.9 | -171.4 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | I660 S668 Y672 Q700 I727 | I660-V670 HydrophobicContact CD1-CG2 4.18Å; I660-V670 HydrophobicContact CG1-CG2 3.98Å; S668-V670 WeakPolarHBondContact O-CG2 3.43Å; S668-V670 PolarHBondContact O-N 3.43Å; V670-Y672 HydrophobicContact CG1-CE1 4.35Å; V670-Y672 HydrophobicContact CG1-CE2 4.27Å; V670-Q700 HydrophobicContact CB-CB 4.13Å; V670-Q700 PolarHBondContact O-N 2.57Å; V670-I727 HydrophobicContact CG1-CG2 3.41Å; V670-I727 VanDerWaalsContact CG1-CG2 3.41Å |
| 671 | M | 88.9 | Confident | 74.9 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134.4 | 173.4 | -63 | -59.8 | -72.4 | 0 | 0 | 110.1 | T699 I727 S728 | M671-T699 HydrophobicContact SD-CG2 3.85Å; M671-I727 WeakPolarHBondContact O-CA 3.21Å; M671-S728 PolarHBondContact N-O 2.76Å; M671-S728 PolarHBondContact O-N 3.39Å; M671-S728 VanDerWaalsContact O-N 3.13Å |
| 672 | Y | 91.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.9 | 165.4 | -58.2 | -80.1 | 0 | 0 | 0 | 108.7 | L656 Y658 V670 E697 F698 Q700 I703 L725 K726 I727 | L656-Y672 HydrophobicContact CD1-CD1 4.26Å; L656-Y672 HydrophobicContact CD1-CE1 3.81Å; L656-Y672 HydrophobicContact CD2-CD1 4.02Å; L656-Y672 HydrophobicContact CD2-CE1 4.08Å; L656-Y672 HydrophobicContact CD2-CG 4.26Å; L656-Y672 HydrophobicContact CG-CD1 4.27Å; L656-Y672 HydrophobicContact CG-CE1 3.82Å; Y658-Y672 AromaticContact CD2-CE1 3.85Å; Y658-Y672 HydrophobicContact CD2-CE1 3.85Å; Y658-Y672 HydrophobicContact CE2-CE1 4.49Å; Y658-Y672 HydrophobicContact CG-CE1 4.39Å; Y658-Y672 PolarHBondContact N-OH 3.12Å; Y658-Y672 VanDerWaalsContact N-OH 3.1Å; V670-Y672 HydrophobicContact CG1-CE1 4.35Å; V670-Y672 HydrophobicContact CG1-CE2 4.27Å; Y672-E697 CarbonylContact O-C 3.59Å; Y672-E697 VanDerWaalsContact O-CA 3.24Å; Y672-E697 WeakPolarHBondContact O-CA 3.34Å; Y672-F698 WeakPolarHBondContact CB-O 3.36Å; Y672-F698 AromaticContact CD2-CD2 3.78Å; Y672-F698 HydrophobicContact CD2-CD2 3.78Å; Y672-F698 AromaticContact CD2-CE2 3.74Å; Y672-F698 HydrophobicContact CD2-CE2 3.74Å; Y672-F698 HydrophobicContact CG-CD2 4.11Å; Y672-F698 AromaticContact CG-CE2 3.74Å; Y672-F698 HydrophobicContact CG-CE2 3.74Å; Y672-F698 PolarHBondContact N-O 2.83Å; Y672-F698 PolarHBondContact O-N 2.68Å; Y672-Q700 HydrophobicContact CE2-CB 4.19Å; Y672-Q700 PolarHBondContact OH-OE1 2.86Å; Y672-I703 HydrophobicContact CD2-CD1 3.88Å; Y672-I703 HydrophobicContact CE2-CD1 3.47Å; Y672-I703 VanDerWaalsContact CE2-CD1 3.47Å; Y672-L725 HydrophobicContact CD1-CD1 4.26Å; Y672-K726 WeakPolarHBondContact CA-O 2.91Å; Y672-I727 HydrophobicContact CD1-CG1 3.86Å; Y672-I727 HydrophobicContact CE1-CG1 3.78Å |
| 673 | S | 90 | Very high | 77.6 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.7 | 172.7 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | I675 E696 E697 L725 K726 | S673-I675 PolarHBondContact O-N 3.04Å; S673-E696 CarbonylContact C-O 3.53Å; S673-E696 WeakPolarHBondContact CA-O 3.25Å; S673-E697 WeakPolarHBondContact CB-OE1 3.37Å; S673-L725 CarbonylContact O-C 3.52Å; S673-L725 WeakPolarHBondContact O-CA 3.36Å; S673-K726 PolarHBondContact N-O 3.06Å; S673-K726 PolarHBondContact O-N 3.11Å; S673-K726 WeakPolarHBondContact OG-CB 3.29Å; S673-K726 PolarHBondContact OG-O 2.66Å |
| 674 | V | 87.2 | Confident | 79.4 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 114.8 | -174.5 | 178 | 0 | 0 | 0 | 0 | 110.6 | P677 F683 E696 L725 | V674-P677 HydrophobicContact CG1-CB 4.25Å; V674-F683 HydrophobicContact CG2-CD2 3.85Å; V674-F683 HydrophobicContact CG2-CE2 4.17Å; V674-E696 WeakPolarHBondContact CG2-O 3.24Å; V674-E696 PolarHBondContact N-O 2.75Å; V674-L725 HydrophobicContact CB-CD2 4.34Å; V674-L725 HydrophobicContact CG2-CD2 3.74Å |
| 675 | I | 85.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 42% | 0.415 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -43.1 | 174.4 | -51.6 | 167.6 | 0 | 0 | 0 | 110.2 | S673 T724 K726 E737 | S673-I675 PolarHBondContact O-N 3.04Å; I675-T724 PolarHBondContact N-O 3.44Å; I675-K726 HydrophobicContact CD1-CB 3.78Å; I675-K726 HydrophobicContact CG1-CB 3.65Å; I675-E737 HydrophobicContact CD1-CB 4.23Å; I675-E737 HydrophobicContact CD1-CG 3.73Å |
| 676 | R | 85.5 | Confident | 83 | Confident | 172 Ų | 172 | 52.7 Ų | 52.7 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 119.3 | 177.1 | -158.3 | -177.7 | -60.4 | 162.5 | 5.9 | 107.7 | T724 | R676-T724 WeakPolarHBondContact CB-OG1 3.35Å; R676-T724 PolarHBondContact N-O 3.27Å; R676-T724 VanDerWaalsContact N-O 3.12Å; R676-T724 PolarHBondContact O-N 3.37Å |
| 677 | P | 82.4 | Confident | 84.5 | Confident | 86 Ų | 86 | 52 Ų | 52 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | trans | -63.5 | 159.7 | -179.8 | 27 | -34.5 | 0 | 0 | 0 | 110.9 | V674 | V674-P677 HydrophobicContact CG1-CB 4.25Š| ||
| 678 | P | 85.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.071 | 27% | 0.266 | C | S | . | . | trans | -53.2 | 140.7 | 166.3 | -9.1 | 19.1 | 0 | 0 | 0 | 110.1 | K680 G681 F683 Y710 D721 A723 | P678-K680 VanDerWaalsContact C-N 3.27Å; P678-K680 PolarHBondContact O-N 3Å; P678-G681 WeakPolarHBondContact CB-O 3.31Å; P678-G681 WeakPolarHBondContact CG-O 3.17Å; P678-F683 HydrophobicContact CG-CD2 4.35Å; P678-F683 HydrophobicContact CG-CE1 4.39Å; P678-F683 HydrophobicContact CG-CE2 3.83Å; P678-F683 HydrophobicContact CG-CZ 3.85Å; P678-Y710 HydrophobicContact CB-CE2 3.6Å; P678-Y710 VanDerWaalsContact CB-OH 3.25Å; P678-Y710 WeakPolarHBondContact CB-OH 3.48Å; P678-Y710 HydrophobicContact CG-CD2 4.11Å; P678-Y710 HydrophobicContact CG-CE2 3.41Å; P678-Y710 VanDerWaalsContact CG-CE2 3.41Å; P678-D721 WeakPolarHBondContact CA-OD2 3.44Å; P678-D721 WeakPolarHBondContact CB-OD2 3.32Å; P678-A723 HydrophobicContact CB-CB 4.37Å; P678-A723 HydrophobicContact CG-CB 3.9Å | ||
| 679 | S | 82.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 56.5 Ų | 56.5 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -77.4 | -16 | -179.9 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | D721 | S679-D721 WeakPolarHBondContact CB-OD1 2.93Å; S679-D721 VanDerWaalsContact N-CG 3.29Å; S679-D721 PolarHBondContact N-OD1 2.82Å; S679-D721 PolarHBondContact N-OD2 3.31Å; S679-D721 PolarHBondContact OG-OD1 3.02Å |
| 680 | K | 78.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -114 | -14.9 | -178.6 | -68.9 | -169.4 | 173.8 | 178.5 | 0 | 113.2 | P678 S712 N713 A714 E717 N719 D721 L744 | P678-K680 VanDerWaalsContact C-N 3.27Å; P678-K680 PolarHBondContact O-N 3Å; K680-S712 VanDerWaalsContact CB-OG 3.31Å; K680-S712 WeakPolarHBondContact CB-OG 3.33Å; K680-S712 CarbonylContact O-C 3.59Å; K680-S712 PolarHBondContact O-OG 3.29Å; K680-S712 VanDerWaalsContact O-OG 3.12Å; K680-N713 PolarHBondContact O-N 3.47Å; K680-A714 HydrophobicContact CB-CB 3.57Å; K680-A714 HydrophobicContact CD-CB 3.73Å; K680-A714 HydrophobicContact CG-CB 3.68Å; K680-E717 PolarHBondContact NZ-O 2.69Å; K680-N719 PolarHBondContact NZ-O 3.15Å; K680-D721 HydrophobicContact CB-CB 4.13Å; K680-D721 WeakPolarHBondContact CB-OD2 3.13Å; K680-D721 HydrophobicContact CD-CB 4.28Å; K680-D721 HydrophobicContact CG-CB 4.23Å; K680-D721 PolarHBondContact N-OD2 3.26Å; K680-L744 HydrophobicContact CD-CD1 3.81Å |
| 681 | G | 81.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -171.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118 | P678 Y710 V711 | P678-G681 WeakPolarHBondContact CB-O 3.31Å; P678-G681 WeakPolarHBondContact CG-O 3.17Å; G681-Y710 WeakPolarHBondContact CA-OH 3.16Å; G681-Y710 PolarHBondContact N-OH 2.91Å; G681-V711 CarbonylContact C-O 3.48Å; G681-V711 WeakPolarHBondContact CA-O 3.39Å |
| 682 | T | 89.4 | Confident | 83.7 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143 | -175.2 | 41.8 | 0 | 0 | 0 | 0 | 111.5 | T694 Y710 V711 | T682-T694 HydrophobicContact CG2-CG2 4.33Å; T682-Y710 VanDerWaalsContact O-CD2 3.26Å; T682-Y710 WeakPolarHBondContact O-CD2 3.09Å; T682-V711 PolarHBondContact N-O 2.71Å; T682-V711 PolarHBondContact O-N 2.86Å; T682-V711 PolarHBondContact OG1-O 3.37Å |
| 683 | F | 91.4 | Very high | 83.4 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 142.2 | 167.8 | -62 | -58.2 | 0 | 0 | 0 | 110.5 | I651 V674 P678 T694 A695 F698 Y710 A723 L725 L740 | I651-F683 HydrophobicContact CD1-CD1 3.64Å; I651-F683 HydrophobicContact CD1-CE1 3.63Å; V674-F683 HydrophobicContact CG2-CD2 3.85Å; V674-F683 HydrophobicContact CG2-CE2 4.17Å; P678-F683 HydrophobicContact CG-CD2 4.35Å; P678-F683 HydrophobicContact CG-CE1 4.39Å; P678-F683 HydrophobicContact CG-CE2 3.83Å; P678-F683 HydrophobicContact CG-CZ 3.85Å; F683-T694 CarbonylContact O-C 3.09Å; F683-T694 VanDerWaalsContact O-CA 3.29Å; F683-T694 WeakPolarHBondContact O-CA 3.47Å; F683-A695 PolarHBondContact O-N 2.87Å; F683-F698 HydrophobicContact CB-CE1 4.45Å; F683-F698 HydrophobicContact CD2-CE1 4.37Å; F683-F698 HydrophobicContact CG-CE1 4.37Å; F683-Y710 AromaticContact CD1-CD2 3.65Å; F683-Y710 HydrophobicContact CD1-CD2 3.65Å; F683-Y710 HydrophobicContact CD1-CG 4.06Å; F683-Y710 AromaticContact CE1-CD2 3.6Å; F683-Y710 HydrophobicContact CE1-CD2 3.6Å; F683-Y710 HydrophobicContact CE1-CE2 4.41Å; F683-Y710 AromaticContact CE1-CG 3.84Å; F683-Y710 HydrophobicContact CE1-CG 3.84Å; F683-Y710 HydrophobicContact CZ-CD2 4.45Å; F683-A723 HydrophobicContact CE2-CB 3.6Å; F683-A723 HydrophobicContact CZ-CB 3.47Å; F683-A723 VanDerWaalsContact CZ-CB 3.47Å; F683-L725 HydrophobicContact CE2-CD2 4.07Å; F683-L740 HydrophobicContact CE1-CD2 3.79Å; F683-L740 HydrophobicContact CZ-CD2 3.95Å |
| 684 | E | 92.5 | Very high | 83.2 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.1 | 175.9 | -64.3 | -177.7 | 165.5 | 0 | 0 | 111.4 | W692 A693 V708 R709 V711 | E684-W692 HydrophobicContact CB-CB 4.31Å; E684-W692 HydrophobicContact CB-CE3 4.27Å; E684-W692 WeakPolarHBondContact OE2-CB 3.38Å; E684-A693 CarbonylContact C-O 3.52Å; E684-A693 WeakPolarHBondContact CA-O 3.16Å; E684-V708 WeakPolarHBondContact O-CA 3.33Å; E684-R709 HydrophobicContact CB-CG 3.9Å; E684-R709 PolarHBondContact N-O 3.29Å; E684-R709 PolarHBondContact O-N 3.43Å; E684-R709 IonicContact OE2-CZ 3.79Å; E684-R709 IonicContact OE2-NE 2.89Å; E684-R709 PolarHBondContact OE2-NE 2.96Å; E684-R709 IonicContact OE2-NH2 2.64Å; E684-R709 PolarHBondContact OE2-NH2 3.09Å; E684-V711 HydrophobicContact CG-CG2 4.04Å; E684-V711 WeakPolarHBondContact OE2-CG2 3.2Å |
| 685 | L | 91.2 | Very high | 83.1 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.1 | 173.2 | -177.1 | 69.9 | 0 | 0 | 0 | 109.3 | I687 A693 A695 D702 R707 V708 | L685-I687 PolarHBondContact O-N 2.98Å; L685-A693 PolarHBondContact N-O 3.1Å; L685-A693 PolarHBondContact O-N 2.81Å; L685-A695 HydrophobicContact CB-CB 3.69Å; L685-D702 HydrophobicContact CD1-CB 3.83Å; L685-R707 CarbonylContact C-O 3.54Å; L685-R707 WeakPolarHBondContact CA-O 3.35Å; L685-R707 HydrophobicContact CD1-CB 3.83Å; L685-V708 HydrophobicContact CD1-CG2 4Å |
| 686 | Q | 89.8 | Confident | 83.2 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.3 | 173.5 | -170.5 | 173.5 | 12.6 | 0 | 0 | 110.2 | S688 D689 W692 R707 | Q686-S688 WeakPolarHBondContact CG-O 3.19Å; Q686-S688 PolarHBondContact NE2-O 3.09Å; Q686-D689 PolarHBondContact NE2-O 2.93Å; Q686-W692 HydrophobicContact CB-CD2 3.98Å; Q686-W692 HydrophobicContact CB-CE3 3.86Å; Q686-W692 HydrophobicContact CB-CH2 3.78Å; Q686-W692 HydrophobicContact CB-CZ2 3.88Å; Q686-W692 HydrophobicContact CB-CZ3 3.78Å; Q686-W692 HydrophobicContact CG-CD2 4.32Å; Q686-W692 HydrophobicContact CG-CH2 4.4Å; Q686-W692 HydrophobicContact CG-CZ2 4Å; Q686-R707 HydrophobicContact CB-CB 4.05Å; Q686-R707 HydrophobicContact CB-CG 4.3Å; Q686-R707 PolarHBondContact N-O 2.88Å |
| 687 | I | 84.1 | Confident | 83.4 | Confident | 126 Ų | 126 | 68 Ų | 68 | 65% | 0.646 | 38% | 0.379 | S | S | * | . | trans | -90.9 | -34.2 | 177.9 | -62.1 | -174.7 | 0 | 0 | 0 | 111.1 | L685 D691 A693 | L685-I687 PolarHBondContact O-N 2.98Å; I687-D691 PolarHBondContact N-O 3.29Å; I687-A693 HydrophobicContact CD1-CB 3.56Å; I687-A693 HydrophobicContact CG1-CB 4.24Å | ||
| 688 | S | 75.3 | Confident | 83.9 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -139.2 | 176 | 177.1 | 86.5 | 0 | 0 | 0 | 0 | 111.2 | Q686 T690 D691 | Q686-S688 WeakPolarHBondContact CG-O 3.19Å; Q686-S688 PolarHBondContact NE2-O 3.09Å; S688-T690 PolarHBondContact O-N 3.09Å; S688-T690 PolarHBondContact OG-N 2.74Å; S688-T690 PolarHBondContact OG-OG1 2.95Å; S688-D691 WeakPolarHBondContact CB-OD2 3.28Å; S688-D691 PolarHBondContact N-O 2.89Å; S688-D691 PolarHBondContact O-N 3.02Å; S688-D691 VanDerWaalsContact OG-CB 3.28Å; S688-D691 WeakPolarHBondContact OG-CB 3.37Å; S688-D691 PolarHBondContact OG-N 2.97Å; S688-D691 PolarHBondContact OG-OD2 3.43Å |
| 689 | D | 64.5 | Low | 84.1 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -55.3 | -24.8 | 176.6 | -74.3 | -30 | 0 | 0 | 0 | 113.7 | Q686 | Q686-D689 PolarHBondContact NE2-O 2.93Š|
| 690 | T | 66.4 | Low | 84.4 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 67% | 0.669 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -111.1 | -29.6 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | S688 | S688-T690 PolarHBondContact O-N 3.09Å; S688-T690 PolarHBondContact OG-N 2.74Å; S688-T690 PolarHBondContact OG-OG1 2.95Å |
| 691 | D | 76.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | trans | -99.6 | 120.9 | -160.7 | -46.6 | -36.6 | 0 | 0 | 0 | 111.6 | I687 S688 | I687-D691 PolarHBondContact N-O 3.29Å; S688-D691 WeakPolarHBondContact CB-OD2 3.28Å; S688-D691 PolarHBondContact N-O 2.89Å; S688-D691 PolarHBondContact O-N 3.02Å; S688-D691 VanDerWaalsContact OG-CB 3.28Å; S688-D691 WeakPolarHBondContact OG-CB 3.37Å; S688-D691 PolarHBondContact OG-N 2.97Å; S688-D691 PolarHBondContact OG-OD2 3.43Å | ||
| 692 | W | 85.4 | Confident | 85.2 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.1 | 174.9 | -65.1 | 77.7 | 0 | 0 | 0 | 108.7 | L650 E684 Q686 R707 R709 | L650-W692 HydrophobicContact CD2-CH2 3.52Å; L650-W692 HydrophobicContact CD2-CZ2 4.25Å; L650-W692 HydrophobicContact CD2-CZ3 4.31Å; E684-W692 HydrophobicContact CB-CB 4.31Å; E684-W692 HydrophobicContact CB-CE3 4.27Å; E684-W692 WeakPolarHBondContact OE2-CB 3.38Å; Q686-W692 HydrophobicContact CB-CD2 3.98Å; Q686-W692 HydrophobicContact CB-CE3 3.86Å; Q686-W692 HydrophobicContact CB-CH2 3.78Å; Q686-W692 HydrophobicContact CB-CZ2 3.88Å; Q686-W692 HydrophobicContact CB-CZ3 3.78Å; Q686-W692 HydrophobicContact CG-CD2 4.32Å; Q686-W692 HydrophobicContact CG-CH2 4.4Å; Q686-W692 HydrophobicContact CG-CZ2 4Å; W692-R707 WeakPolarHBondContact CZ3-O 3.09Å; W692-R709 HydrophobicContact CD2-CG 4.2Å; W692-R709 HydrophobicContact CE3-CB 4.13Å; W692-R709 VanDerWaalsContact CE3-CD 3.42Å; W692-R709 HydrophobicContact CE3-CG 3.42Å; W692-R709 VanDerWaalsContact CE3-CG 3.42Å; W692-R709 VanDerWaalsContact CG-CZ 3.47Å; W692-R709 HydrophobicContact CH2-CB 4.19Å; W692-R709 HydrophobicContact CH2-CG 4.3Å; W692-R709 HydrophobicContact CZ3-CB 3.62Å; W692-R709 HydrophobicContact CZ3-CG 3.46Å; W692-R709 VanDerWaalsContact CZ3-CG 3.46Å |
| 693 | A | 84.6 | Confident | 85.2 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | E684 L685 I687 A695 | E684-A693 CarbonylContact C-O 3.52Å; E684-A693 WeakPolarHBondContact CA-O 3.16Å; L685-A693 PolarHBondContact N-O 3.1Å; L685-A693 PolarHBondContact O-N 2.81Å; I687-A693 HydrophobicContact CD1-CB 3.56Å; I687-A693 HydrophobicContact CG1-CB 4.24Å; A693-A695 PolarHBondContact O-N 2.88Å |
| 694 | T | 86.9 | Confident | 84.9 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 131.6 | -180 | -44.3 | 0 | 0 | 0 | 0 | 111.3 | T682 F683 | T682-T694 HydrophobicContact CG2-CG2 4.33Å; F683-T694 CarbonylContact O-C 3.09Å; F683-T694 VanDerWaalsContact O-CA 3.29Å; F683-T694 WeakPolarHBondContact O-CA 3.47Å |
| 695 | A | 84.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | trans | -126.5 | 119.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F683 L685 A693 | F683-A695 PolarHBondContact O-N 2.87Å; L685-A695 HydrophobicContact CB-CB 3.69Å; A693-A695 PolarHBondContact O-N 2.88Å | ||
| 696 | E | 87.1 | Confident | 84.3 | Confident | 157 Ų | 157 | 71.8 Ų | 71.8 | 73% | 0.734 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -87.6 | -20.6 | 173.7 | -61.8 | -171.6 | 160.3 | 0 | 0 | 112.8 | S673 V674 | S673-E696 CarbonylContact C-O 3.53Å; S673-E696 WeakPolarHBondContact CA-O 3.25Å; V674-E696 WeakPolarHBondContact CG2-O 3.24Å; V674-E696 PolarHBondContact N-O 2.75Å |
| 697 | E | 89.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.9 | 174.4 | -55.8 | -160.8 | 139.7 | 0 | 0 | 111.3 | Y672 S673 | Y672-E697 CarbonylContact O-C 3.59Å; Y672-E697 VanDerWaalsContact O-CA 3.24Å; Y672-E697 WeakPolarHBondContact O-CA 3.34Å; S673-E697 WeakPolarHBondContact CB-OE1 3.37Å |
| 698 | F | 92.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 159.6 | 174.1 | 50.2 | -95.1 | 0 | 0 | 0 | 111.5 | L656 Y672 F683 D702 I703 V708 L725 | L656-F698 HydrophobicContact CD2-CE2 3.76Å; L656-F698 HydrophobicContact CD2-CZ 4.11Å; Y672-F698 WeakPolarHBondContact CB-O 3.36Å; Y672-F698 AromaticContact CD2-CD2 3.78Å; Y672-F698 HydrophobicContact CD2-CD2 3.78Å; Y672-F698 AromaticContact CD2-CE2 3.74Å; Y672-F698 HydrophobicContact CD2-CE2 3.74Å; Y672-F698 HydrophobicContact CG-CD2 4.11Å; Y672-F698 AromaticContact CG-CE2 3.74Å; Y672-F698 HydrophobicContact CG-CE2 3.74Å; Y672-F698 PolarHBondContact N-O 2.83Å; Y672-F698 PolarHBondContact O-N 2.68Å; F683-F698 HydrophobicContact CB-CE1 4.45Å; F683-F698 HydrophobicContact CD2-CE1 4.37Å; F683-F698 HydrophobicContact CG-CE1 4.37Å; F698-D702 HydrophobicContact CB-CB 4.41Å; F698-I703 HydrophobicContact CD2-CD1 4.2Å; F698-I703 HydrophobicContact CD2-CG1 4.24Å; F698-I703 HydrophobicContact CE2-CD1 4.02Å; F698-I703 HydrophobicContact CE2-CG1 4.38Å; F698-V708 HydrophobicContact CB-CG2 4.16Å; F698-V708 HydrophobicContact CD1-CG1 4.32Å; F698-V708 HydrophobicContact CD2-CG1 4.5Å; F698-V708 HydrophobicContact CD2-CG2 4.15Å; F698-V708 HydrophobicContact CE1-CG1 4.39Å; F698-V708 HydrophobicContact CG-CG1 4.38Å; F698-V708 HydrophobicContact CG-CG2 4.14Å; F698-L725 HydrophobicContact CZ-CD1 4.18Å |
| 699 | T | 91.1 | Very high | 85.5 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 164.8 | -177.1 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | M671 A701 D702 I703 | M671-T699 HydrophobicContact SD-CG2 3.85Å; T699-A701 PolarHBondContact O-N 2.41Å; T699-A701 WeakPolarHBondContact OG1-CB 2.86Å; T699-A701 PolarHBondContact OG1-N 3.38Å; T699-A701 VanDerWaalsContact OG1-N 3.1Å; T699-D702 WeakPolarHBondContact CB-OD2 3.45Å; T699-D702 PolarHBondContact N-OD2 2.67Å; T699-D702 PolarHBondContact O-N 2.81Å; T699-D702 VanDerWaalsContact OG1-CG 3.28Å; T699-D702 PolarHBondContact OG1-N 2.84Å; T699-D702 PolarHBondContact OG1-OD2 3.13Å; T699-I703 PolarHBondContact O-N 2.87Å |
| 700 | Q | 88.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -25.5 | 163.9 | -178.6 | 63.7 | 101.6 | 0 | 0 | 112.7 | S657 Y658 V670 Y672 R704 | S657-Q700 PolarHBondContact OG-OE1 2.86Å; Y658-Q700 PolarHBondContact O-OE1 3.23Å; V670-Q700 HydrophobicContact CB-CB 4.13Å; V670-Q700 PolarHBondContact O-N 2.57Å; Y672-Q700 HydrophobicContact CE2-CB 4.19Å; Y672-Q700 PolarHBondContact OH-OE1 2.86Å; Q700-R704 WeakPolarHBondContact O-CG 3.32Å; Q700-R704 PolarHBondContact O-N 3.41Å; Q700-R704 VanDerWaalsContact O-N 3.16Å |
| 701 | A | 86.5 | Confident | 87.7 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.4 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T699 R704 S705 | T699-A701 PolarHBondContact O-N 2.41Å; T699-A701 WeakPolarHBondContact OG1-CB 2.86Å; T699-A701 PolarHBondContact OG1-N 3.38Å; T699-A701 VanDerWaalsContact OG1-N 3.1Å; A701-R704 PolarHBondContact O-N 3.01Å; A701-S705 VanDerWaalsContact O-CB 3.29Å; A701-S705 WeakPolarHBondContact O-CB 3.3Å; A701-S705 PolarHBondContact O-N 3.37Å; A701-S705 PolarHBondContact O-OG 2.86Å |
| 702 | D | 91.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.3 | -65 | -59.1 | 0 | 0 | 0 | 111.9 | L685 F698 T699 S705 R706 R707 V708 | L685-D702 HydrophobicContact CD1-CB 3.83Å; F698-D702 HydrophobicContact CB-CB 4.41Å; T699-D702 WeakPolarHBondContact CB-OD2 3.45Å; T699-D702 PolarHBondContact N-OD2 2.67Å; T699-D702 PolarHBondContact O-N 2.81Å; T699-D702 VanDerWaalsContact OG1-CG 3.28Å; T699-D702 PolarHBondContact OG1-N 2.84Å; T699-D702 PolarHBondContact OG1-OD2 3.13Å; D702-S705 CarbonylContact O-C 3.52Å; D702-S705 PolarHBondContact O-N 3.26Å; D702-R706 PolarHBondContact O-N 2.69Å; D702-R707 PolarHBondContact O-N 3.4Å; D702-R707 IonicContact OD1-CZ 3.98Å; D702-R707 IonicContact OD1-NE 2.63Å; D702-R707 PolarHBondContact OD1-NE 2.82Å; D702-R707 IonicContact OD1-NH2 2.68Å; D702-R707 PolarHBondContact OD1-NH2 2.69Å; D702-V708 HydrophobicContact CB-CG2 3.6Å |
| 703 | I | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 173.4 | -63.9 | 176.1 | 0 | 0 | 0 | 110.7 | I651 E653 L656 Y672 F698 T699 R706 V708 | I651-I703 HydrophobicContact CG2-CG1 4.5Å; I651-I703 WeakPolarHBondContact O-CG2 3.24Å; E653-I703 HydrophobicContact CG-CG2 4.3Å; L656-I703 HydrophobicContact CB-CD1 4.31Å; L656-I703 HydrophobicContact CD2-CD1 3.83Å; L656-I703 HydrophobicContact CG-CD1 4.04Å; Y672-I703 HydrophobicContact CD2-CD1 3.88Å; Y672-I703 HydrophobicContact CE2-CD1 3.47Å; Y672-I703 VanDerWaalsContact CE2-CD1 3.47Å; F698-I703 HydrophobicContact CD2-CD1 4.2Å; F698-I703 HydrophobicContact CD2-CG1 4.24Å; F698-I703 HydrophobicContact CE2-CD1 4.02Å; F698-I703 HydrophobicContact CE2-CG1 4.38Å; T699-I703 PolarHBondContact O-N 2.87Å; I703-R706 PolarHBondContact O-N 2.91Å; I703-V708 HydrophobicContact CG1-CG2 4.17Å |
| 704 | R | 85.1 | Confident | 86 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 174.5 | -78 | 169.6 | 176.3 | 158.4 | 3.3 | 111.9 | E653 E667 Q700 A701 R706 | E653-R704 HydrophobicContact CG-CG 3.79Å; E653-R704 VanDerWaalsContact OE1-CG 3.25Å; E653-R704 WeakPolarHBondContact OE1-CG 3.35Å; E653-R704 IonicContact OE1-CZ 3.34Å; E653-R704 IonicContact OE1-NE 3.13Å; E653-R704 PolarHBondContact OE1-NE 3Å; E653-R704 IonicContact OE1-NH2 2.68Å; E653-R704 PolarHBondContact OE1-NH2 3.28Å; E667-R704 IonicContact OE2-NH2 3.2Å; Q700-R704 WeakPolarHBondContact O-CG 3.32Å; Q700-R704 PolarHBondContact O-N 3.41Å; Q700-R704 VanDerWaalsContact O-N 3.16Å; A701-R704 PolarHBondContact O-N 3.01Å; R704-R706 PolarHBondContact O-N 3.22Å |
| 705 | S | 84.4 | Confident | 84.4 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 49% | 0.49 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.8 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | A701 D702 R707 | A701-S705 VanDerWaalsContact O-CB 3.29Å; A701-S705 WeakPolarHBondContact O-CB 3.3Å; A701-S705 PolarHBondContact O-N 3.37Å; A701-S705 PolarHBondContact O-OG 2.86Å; D702-S705 CarbonylContact O-C 3.52Å; D702-S705 PolarHBondContact O-N 3.26Å; S705-R707 PolarHBondContact O-N 3.03Å |
| 706 | R | 86.5 | Confident | 82.9 | Confident | 166 Ų | 166 | 53.8 Ų | 53.8 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 24.7 | -174.2 | -52 | -171.8 | 173.6 | -172.9 | -2 | 114.2 | T652 D702 I703 R704 | T652-R706 HydrophobicContact CG2-CB 4.43Å; T652-R706 HydrophobicContact CG2-CG 3.92Å; D702-R706 PolarHBondContact O-N 2.69Å; I703-R706 PolarHBondContact O-N 2.91Å; R704-R706 PolarHBondContact O-N 3.22Å |
| 707 | R | 89.5 | Confident | 81.5 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | trans | -86.5 | -10.4 | -177.8 | -66.8 | -161.9 | -59.8 | -161 | 1.3 | 114.3 | L685 Q686 W692 D702 S705 | L685-R707 CarbonylContact C-O 3.54Å; L685-R707 WeakPolarHBondContact CA-O 3.35Å; L685-R707 HydrophobicContact CD1-CB 3.83Å; Q686-R707 HydrophobicContact CB-CB 4.05Å; Q686-R707 HydrophobicContact CB-CG 4.3Å; Q686-R707 PolarHBondContact N-O 2.88Å; W692-R707 WeakPolarHBondContact CZ3-O 3.09Å; D702-R707 PolarHBondContact O-N 3.4Å; D702-R707 IonicContact OD1-CZ 3.98Å; D702-R707 IonicContact OD1-NE 2.63Å; D702-R707 PolarHBondContact OD1-NE 2.82Å; D702-R707 IonicContact OD1-NH2 2.68Å; D702-R707 PolarHBondContact OD1-NH2 2.69Å; S705-R707 PolarHBondContact O-N 3.03Å | ||
| 708 | V | 92 | Very high | 80.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.4 | 179.7 | -166.3 | 0 | 0 | 0 | 0 | 109.9 | L650 I651 E684 L685 F698 D702 I703 | L650-V708 CarbonylContact C-O 3.54Å; L650-V708 WeakPolarHBondContact CA-O 3.49Å; I651-V708 HydrophobicContact CB-CB 4.32Å; I651-V708 HydrophobicContact CB-CG1 4.36Å; I651-V708 HydrophobicContact CD1-CG1 3.93Å; I651-V708 HydrophobicContact CG1-CG1 4.43Å; I651-V708 PolarHBondContact N-O 3.37Å; E684-V708 WeakPolarHBondContact O-CA 3.33Å; L685-V708 HydrophobicContact CD1-CG2 4Å; F698-V708 HydrophobicContact CB-CG2 4.16Å; F698-V708 HydrophobicContact CD1-CG1 4.32Å; F698-V708 HydrophobicContact CD2-CG1 4.5Å; F698-V708 HydrophobicContact CD2-CG2 4.15Å; F698-V708 HydrophobicContact CE1-CG1 4.39Å; F698-V708 HydrophobicContact CG-CG1 4.38Å; F698-V708 HydrophobicContact CG-CG2 4.14Å; D702-V708 HydrophobicContact CB-CG2 3.6Å; I703-V708 HydrophobicContact CG1-CG2 4.17Å |
| 709 | R | 92.2 | Very high | 78.9 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 157.5 | 167.4 | 75.2 | -178.3 | -177.8 | -174.8 | 0.7 | 110.5 | A649 L650 E684 W692 V711 | A649-R709 WeakPolarHBondContact O-CA 3.48Å; A649-R709 WeakPolarHBondContact O-CB 3.34Å; L650-R709 HydrophobicContact CD2-CB 4.13Å; E684-R709 HydrophobicContact CB-CG 3.9Å; E684-R709 PolarHBondContact N-O 3.29Å; E684-R709 PolarHBondContact O-N 3.43Å; E684-R709 IonicContact OE2-CZ 3.79Å; E684-R709 IonicContact OE2-NE 2.89Å; E684-R709 PolarHBondContact OE2-NE 2.96Å; E684-R709 IonicContact OE2-NH2 2.64Å; E684-R709 PolarHBondContact OE2-NH2 3.09Å; W692-R709 HydrophobicContact CD2-CG 4.2Å; W692-R709 HydrophobicContact CE3-CB 4.13Å; W692-R709 VanDerWaalsContact CE3-CD 3.42Å; W692-R709 HydrophobicContact CE3-CG 3.42Å; W692-R709 VanDerWaalsContact CE3-CG 3.42Å; W692-R709 VanDerWaalsContact CG-CZ 3.47Å; W692-R709 HydrophobicContact CH2-CB 4.19Å; W692-R709 HydrophobicContact CH2-CG 4.3Å; W692-R709 HydrophobicContact CZ3-CB 3.62Å; W692-R709 HydrophobicContact CZ3-CG 3.46Å; W692-R709 VanDerWaalsContact CZ3-CG 3.46Å; R709-V711 HydrophobicContact CG-CG2 3.88Å |
| 710 | Y | 91.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 154.9 | 163.7 | 177.2 | -133.4 | 0 | 0 | 0 | 107.8 | L641 A649 P678 G681 T682 F683 S712 D721 V742 V2348 E2349 | L641-Y710 HydrophobicContact CD2-CD1 4.06Å; A649-Y710 PolarHBondContact O-N 2.88Å; P678-Y710 HydrophobicContact CB-CE2 3.6Å; P678-Y710 VanDerWaalsContact CB-OH 3.25Å; P678-Y710 WeakPolarHBondContact CB-OH 3.48Å; P678-Y710 HydrophobicContact CG-CD2 4.11Å; P678-Y710 HydrophobicContact CG-CE2 3.41Å; P678-Y710 VanDerWaalsContact CG-CE2 3.41Å; G681-Y710 WeakPolarHBondContact CA-OH 3.16Å; G681-Y710 PolarHBondContact N-OH 2.91Å; T682-Y710 VanDerWaalsContact O-CD2 3.26Å; T682-Y710 WeakPolarHBondContact O-CD2 3.09Å; F683-Y710 AromaticContact CD1-CD2 3.65Å; F683-Y710 HydrophobicContact CD1-CD2 3.65Å; F683-Y710 HydrophobicContact CD1-CG 4.06Å; F683-Y710 AromaticContact CE1-CD2 3.6Å; F683-Y710 HydrophobicContact CE1-CD2 3.6Å; F683-Y710 HydrophobicContact CE1-CE2 4.41Å; F683-Y710 AromaticContact CE1-CG 3.84Å; F683-Y710 HydrophobicContact CE1-CG 3.84Å; F683-Y710 HydrophobicContact CZ-CD2 4.45Å; Y710-S712 WeakPolarHBondContact OH-CB 3.29Å; Y710-D721 PolarHBondContact OH-OD2 2.71Å; Y710-V742 HydrophobicContact CD1-CG2 3.74Å; Y710-V742 HydrophobicContact CE1-CB 4.07Å; Y710-V742 HydrophobicContact CE1-CG1 3.69Å; Y710-V742 HydrophobicContact CE1-CG2 3.22Å; Y710-V2348 HydrophobicContact CD1-CB 4.4Å; Y710-V2348 HydrophobicContact CD1-CG1 4.4Å; Y710-V2348 HydrophobicContact CD1-CG2 3.09Å; Y710-V2348 HydrophobicContact CE1-CG2 3.62Å; Y710-V2348 HydrophobicContact CG-CG2 3.59Å; Y710-V2348 WeakPolarHBondContact O-CB 2.95Å; Y710-V2348 WeakPolarHBondContact O-CG1 3.41Å; Y710-E2349 WeakPolarHBondContact CD1-OE2 3.41Å |
| 711 | V | 86.1 | Confident | 77.9 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 100 | -177 | -178.6 | 0 | 0 | 0 | 0 | 108 | G681 T682 E684 R709 A2346 E2347 | G681-V711 CarbonylContact C-O 3.48Å; G681-V711 WeakPolarHBondContact CA-O 3.39Å; T682-V711 PolarHBondContact N-O 2.71Å; T682-V711 PolarHBondContact O-N 2.86Å; T682-V711 PolarHBondContact OG1-O 3.37Å; E684-V711 HydrophobicContact CG-CG2 4.04Å; E684-V711 WeakPolarHBondContact OE2-CG2 3.2Å; R709-V711 HydrophobicContact CG-CG2 3.88Å; V711-A2346 HydrophobicContact CG1-CB 3.46Å; V711-A2346 VanDerWaalsContact CG1-CB 3.46Å; V711-E2347 CarbonylContact C-O 3.55Å; V711-E2347 VanDerWaalsContact CA-O 3.22Å; V711-E2347 WeakPolarHBondContact CA-O 3.38Å |
| 712 | S | 80.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 151.5 | 176.4 | 166.1 | 0 | 0 | 0 | 0 | 112.3 | K680 Y710 A2346 E2347 | K680-S712 VanDerWaalsContact CB-OG 3.31Å; K680-S712 WeakPolarHBondContact CB-OG 3.33Å; K680-S712 CarbonylContact O-C 3.59Å; K680-S712 PolarHBondContact O-OG 3.29Å; K680-S712 VanDerWaalsContact O-OG 3.12Å; Y710-S712 WeakPolarHBondContact OH-CB 3.29Å; S712-A2346 CarbonylContact O-C 3.15Å; S712-A2346 VanDerWaalsContact O-C 3.32Å; S712-A2346 WeakPolarHBondContact O-CA 3.46Å; S712-A2346 WeakPolarHBondContact O-CB 3.26Å; S712-E2347 WeakPolarHBondContact CB-OE1 2.94Å; S712-E2347 PolarHBondContact N-O 2.95Å; S712-E2347 WeakPolarHBondContact O-CB 3.21Å; S712-E2347 PolarHBondContact O-N 2.76Å; S712-E2347 PolarHBondContact OG-OE1 3.12Å |
| 713 | N | 70.6 | Confident | 77.6 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | trans | -129.4 | 25.7 | -163.3 | -59.9 | -53.8 | 0 | 0 | 0 | 110.5 | K680 A2346 | K680-N713 PolarHBondContact O-N 3.47Å; N713-A2346 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 714 | A | 58.6 | Low | 77.6 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | trans | -108.4 | 101 | -154.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K680 G716 E2347 | K680-A714 HydrophobicContact CB-CB 3.57Å; K680-A714 HydrophobicContact CD-CB 3.73Å; K680-A714 HydrophobicContact CG-CB 3.68Å; A714-G716 PolarHBondContact O-N 2.83Å; A714-E2347 PolarHBondContact N-OE1 2.69Å | ||
| 715 | D | 54.6 | Low | 77.9 | Confident | 124 Ų | 124 | 47.8 Ų | 47.8 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | trans | -75.2 | 85.1 | 165.2 | -68.7 | -9.8 | 0 | 0 | 0 | 110.2 | R646 | R646-D715 IonicContact CZ-OD1 2.74Å; R646-D715 VanDerWaalsContact CZ-OD1 3.26Å; R646-D715 IonicContact CZ-OD2 2.7Å; R646-D715 IonicContact NE-OD1 3.57Å; R646-D715 PolarHBondContact NE-OD1 2.82Å; R646-D715 VanDerWaalsContact NE-OD1 3.09Å; R646-D715 IonicContact NH2-OD1 2.92Å; R646-D715 PolarHBondContact NH2-OD1 3.17Å; R646-D715 IonicContact NH2-OD2 4Å; R646-D715 PolarHBondContact NH2-OD2 3.12Å | ||
| 716 | G | 53.1 | Low | 78.1 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 34% | 0.34 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -174.7 | -157 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K645 A714 | K645-G716 WeakPolarHBondContact CE-O 3.38Å; K645-G716 PolarHBondContact NZ-O 2.83Å; A714-G716 PolarHBondContact O-N 2.83Å |
| 717 | E | 56.9 | Low | 78.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | trans | -57.1 | 153.1 | -177.7 | -59.6 | -145 | 88.5 | 0 | 0 | 114.2 | K680 N719 L744 E1541 T1542 S1543 | K680-E717 PolarHBondContact NZ-O 2.69Å; E717-N719 HydrophobicContact CB-CB 4.19Å; E717-N719 WeakPolarHBondContact CB-ND2 3.38Å; E717-N719 PolarHBondContact O-N 2.8Å; E717-N719 PolarHBondContact OE2-ND2 3.25Å; E717-L744 WeakPolarHBondContact O-CD1 3.4Å; E717-E1541 WeakPolarHBondContact CG-O 3.49Å; E717-T1542 WeakPolarHBondContact OE1-CA 3.48Å; E717-T1542 PolarHBondContact OE1-N 2.84Å; E717-S1543 PolarHBondContact OE1-N 2.88Å | ||
| 718 | Y | 62.2 | Low | 78.2 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | trans | -73.1 | 20.7 | 167.9 | -68.8 | -86.5 | 0 | 0 | 0 | 112.9 | K645 N720 L744 V745 P746 D854 S1543 | K645-Y718 HydrophobicContact CD-CD1 4.35Å; K645-Y718 HydrophobicContact CD-CE1 3.84Å; K645-Y718 HydrophobicContact CD-CE2 4.4Å; K645-Y718 VanDerWaalsContact CE-CE1 3.48Å; K645-Y718 VanDerWaalsContact CE-CE2 3.45Å; K645-Y718 VanDerWaalsContact CE-CZ 3.4Å; K645-Y718 HydrophobicContact CG-CD1 4.12Å; K645-Y718 HydrophobicContact CG-CE1 3.7Å; K645-Y718 VanDerWaalsContact NZ-CE2 3.25Å; Y718-N720 PolarHBondContact O-N 2.67Å; Y718-L744 HydrophobicContact CD1-CB 4Å; Y718-V745 WeakPolarHBondContact CE1-O 3.42Å; Y718-P746 VanDerWaalsContact CE1-CA 3.48Å; Y718-P746 HydrophobicContact CE1-CB 4.1Å; Y718-P746 HydrophobicContact CE2-CB 4.5Å; Y718-D854 WeakPolarHBondContact CE2-OD2 2.72Å; Y718-D854 PolarHBondContact OH-OD2 3.15Å; Y718-S1543 WeakPolarHBondContact CB-OG 3.26Å; Y718-S1543 PolarHBondContact N-OG 3.35Å | ||
| 719 | N | 66.8 | Low | 77.5 | Confident | 74 Ų | 74 | 37.4 Ų | 37.4 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | trans | -65.4 | 130.4 | 174.6 | -60.1 | -12.9 | 0 | 0 | 0 | 110.3 | K680 E717 L744 | K680-N719 PolarHBondContact NZ-O 3.15Å; E717-N719 HydrophobicContact CB-CB 4.19Å; E717-N719 WeakPolarHBondContact CB-ND2 3.38Å; E717-N719 PolarHBondContact O-N 2.8Å; E717-N719 PolarHBondContact OE2-ND2 3.25Å; N719-L744 WeakPolarHBondContact O-CD1 3.37Å | ||
| 720 | N | 75 | Confident | 76.6 | Confident | 89 Ų | 89 | 42.1 Ų | 42.1 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | trans | -47.9 | 147.5 | 172.9 | -63.3 | -10.4 | 0 | 0 | 0 | 112.5 | Y718 L741 V742 | Y718-N720 PolarHBondContact O-N 2.67Å; N720-L741 HydrophobicContact CB-CD1 4Å; N720-V742 CarbonylContact C-O 3.59Å; N720-V742 WeakPolarHBondContact CA-O 3.49Å; N720-V742 WeakPolarHBondContact CB-O 3.16Å | ||
| 721 | D | 83.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 162 | 170.9 | -168.7 | 21.2 | 0 | 0 | 0 | 111.1 | P678 S679 K680 Y710 V742 | P678-D721 WeakPolarHBondContact CA-OD2 3.44Å; P678-D721 WeakPolarHBondContact CB-OD2 3.32Å; S679-D721 WeakPolarHBondContact CB-OD1 2.93Å; S679-D721 VanDerWaalsContact N-CG 3.29Å; S679-D721 PolarHBondContact N-OD1 2.82Å; S679-D721 PolarHBondContact N-OD2 3.31Å; S679-D721 PolarHBondContact OG-OD1 3.02Å; K680-D721 HydrophobicContact CB-CB 4.13Å; K680-D721 WeakPolarHBondContact CB-OD2 3.13Å; K680-D721 HydrophobicContact CD-CB 4.28Å; K680-D721 HydrophobicContact CG-CB 4.23Å; K680-D721 PolarHBondContact N-OD2 3.26Å; Y710-D721 PolarHBondContact OH-OD2 2.71Å; D721-V742 HydrophobicContact CB-CB 3.81Å; D721-V742 HydrophobicContact CB-CG1 3.88Å; D721-V742 HydrophobicContact CB-CG2 4.23Å; D721-V742 PolarHBondContact N-O 2.73Å; D721-V742 WeakPolarHBondContact O-CB 3.47Å; D721-V742 PolarHBondContact O-N 2.96Å |
| 722 | T | 84.7 | Confident | 74.6 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 125 | -176.5 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | L740 L741 | T722-L740 WeakPolarHBondContact CA-O 2.85Å; T722-L741 HydrophobicContact CG2-CD1 3.8Å |
| 723 | A | 86.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | P678 F683 E739 L740 | P678-A723 HydrophobicContact CB-CB 4.37Å; P678-A723 HydrophobicContact CG-CB 3.9Å; F683-A723 HydrophobicContact CE2-CB 3.6Å; F683-A723 HydrophobicContact CZ-CB 3.47Å; F683-A723 VanDerWaalsContact CZ-CB 3.47Å; A723-E739 VanDerWaalsContact O-CA 3.3Å; A723-E739 WeakPolarHBondContact O-CA 3.43Å; A723-L740 PolarHBondContact N-O 2.88Å; A723-L740 PolarHBondContact O-N 3.25Å |
| 724 | T | 89.7 | Confident | 74.1 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.7 | 173.4 | -8.3 | 0 | 0 | 0 | 0 | 110.5 | I675 R676 G738 E739 | I675-T724 PolarHBondContact N-O 3.44Å; R676-T724 WeakPolarHBondContact CB-OG1 3.35Å; R676-T724 PolarHBondContact N-O 3.27Å; R676-T724 VanDerWaalsContact N-O 3.12Å; R676-T724 PolarHBondContact O-N 3.37Å; T724-G738 WeakPolarHBondContact CA-O 3.19Å; T724-E739 HydrophobicContact CG2-CG 4.24Å |
| 725 | L | 90.7 | Very high | 75 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.2 | -174 | -53.9 | 177.4 | 0 | 0 | 0 | 110 | L656 Y672 S673 V674 F683 F698 I727 E737 G738 | L656-L725 HydrophobicContact CD1-CD1 4Å; L656-L725 HydrophobicContact CD2-CD1 3.47Å; L656-L725 VanDerWaalsContact CD2-CD1 3.47Å; L656-L725 HydrophobicContact CG-CD1 4.41Å; Y672-L725 HydrophobicContact CD1-CD1 4.26Å; S673-L725 CarbonylContact O-C 3.52Å; S673-L725 WeakPolarHBondContact O-CA 3.36Å; V674-L725 HydrophobicContact CB-CD2 4.34Å; V674-L725 HydrophobicContact CG2-CD2 3.74Å; F683-L725 HydrophobicContact CE2-CD2 4.07Å; F698-L725 HydrophobicContact CZ-CD1 4.18Å; L725-I727 WeakPolarHBondContact O-CD1 3.46Å; L725-E737 CarbonylContact O-C 3.54Å; L725-E737 WeakPolarHBondContact O-CA 3.24Å; L725-G738 PolarHBondContact N-O 3.44Å; L725-G738 PolarHBondContact O-N 2.83Å |
| 726 | K | 90.2 | Very high | 76.3 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.3 | 167.7 | 166.9 | -174.8 | 167.7 | -157.9 | 0 | 107.6 | Y672 S673 I675 | Y672-K726 WeakPolarHBondContact CA-O 2.91Å; S673-K726 PolarHBondContact N-O 3.06Å; S673-K726 PolarHBondContact O-N 3.11Å; S673-K726 WeakPolarHBondContact OG-CB 3.29Å; S673-K726 PolarHBondContact OG-O 2.66Å; I675-K726 HydrophobicContact CD1-CB 3.78Å; I675-K726 HydrophobicContact CG1-CB 3.65Å |
| 727 | I | 89.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.7 | 176.1 | -57.8 | 94.5 | 0 | 0 | 0 | 107.6 | I633 Y658 V670 M671 Y672 L725 A735 S736 G738 | I633-I727 HydrophobicContact CD1-CB 4.47Å; I633-I727 HydrophobicContact CD1-CG2 4.22Å; I633-I727 VanDerWaalsContact CD1-O 3.23Å; I633-I727 WeakPolarHBondContact CD1-O 3.49Å; I633-I727 HydrophobicContact CG2-CG2 3.82Å; Y658-I727 HydrophobicContact CD1-CB 4.4Å; Y658-I727 HydrophobicContact CD1-CD1 4.36Å; Y658-I727 HydrophobicContact CD1-CG1 4.01Å; Y658-I727 HydrophobicContact CD1-CG2 3.99Å; Y658-I727 HydrophobicContact CD2-CG1 4.23Å; Y658-I727 HydrophobicContact CE1-CD1 3.84Å; Y658-I727 HydrophobicContact CE1-CG1 4.01Å; Y658-I727 HydrophobicContact CE2-CD1 4.23Å; Y658-I727 HydrophobicContact CE2-CG1 4.26Å; Y658-I727 HydrophobicContact CG-CG1 4.12Å; Y658-I727 HydrophobicContact CG-CG2 4.09Å; V670-I727 HydrophobicContact CG1-CG2 3.41Å; V670-I727 VanDerWaalsContact CG1-CG2 3.41Å; M671-I727 WeakPolarHBondContact O-CA 3.21Å; Y672-I727 HydrophobicContact CD1-CG1 3.86Å; Y672-I727 HydrophobicContact CE1-CG1 3.78Å; L725-I727 WeakPolarHBondContact O-CD1 3.46Å; I727-A735 CarbonylContact O-C 3.56Å; I727-A735 WeakPolarHBondContact O-CA 3.01Å; I727-S736 PolarHBondContact N-O 3.13Å; I727-S736 PolarHBondContact O-N 3.48Å; I727-G738 VanDerWaalsContact CD1-N 3.32Å |
| 728 | S | 87.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 57 Ų | 57 | 12% | 0.119 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 166.5 | -179.4 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | M671 V734 | M671-S728 PolarHBondContact N-O 2.76Å; M671-S728 PolarHBondContact O-N 3.39Å; M671-S728 VanDerWaalsContact O-N 3.13Å; S728-V734 WeakPolarHBondContact CA-O 3.48Å |
| 729 | S | 78.3 | Confident | 80 | Confident | 16 Ų | 16 | 61 Ų | 61 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 152.2 | 171.9 | 167 | 0 | 0 | 0 | 0 | 110.7 | S668 V731 L732 | S668-S729 WeakPolarHBondContact OG-CB 3.26Å; S668-S729 PolarHBondContact OG-OG 3.26Å; S729-V731 VanDerWaalsContact C-N 3.32Å; S729-V731 PolarHBondContact OG-N 2.68Å; S729-L732 PolarHBondContact OG-N 3.4Å |
| 730 | H | 73.6 | Confident | 81 | Confident | 143 Ų | 143 | 57.5 Ų | 57.5 | 66% | 0.662 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -77.4 | -12.3 | 167.3 | -91 | -65.8 | 0 | 0 | 0 | 114.3 | ||
| 731 | V | 68.3 | Low | 81.5 | Confident | 124 Ų | 124 | 56 Ų | 56 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -122.8 | -33 | -167.7 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | S729 | S729-V731 VanDerWaalsContact C-N 3.32Å; S729-V731 PolarHBondContact OG-N 2.68Å |
| 732 | L | 66.9 | Low | 81.6 | Confident | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -108.2 | 134.1 | -178.5 | -62.1 | 169.4 | 0 | 0 | 0 | 110.2 | I660 S729 V734 | I660-L732 HydrophobicContact CG2-CD1 3.82Å; S729-L732 PolarHBondContact OG-N 3.4Å; L732-V734 HydrophobicContact CB-CG2 3.85Å; L732-V734 PolarHBondContact O-N 3.19Å |
| 733 | D | 70.7 | Confident | 81.3 | Confident | 177 Ų | 177 | 55.7 Ų | 55.7 | 95% | 0.947 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71.1 | 75.3 | 175.2 | -174.2 | 21.9 | 0 | 0 | 0 | 111.2 | ||
| 734 | V | 69.1 | Low | 80.7 | Confident | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | trans | -146.4 | 127.9 | 179.8 | -149.7 | 0 | 0 | 0 | 0 | 109.5 | A631 I633 S728 L732 | A631-V734 HydrophobicContact CB-CG2 3.82Å; I633-V734 HydrophobicContact CD1-CB 4.38Å; I633-V734 HydrophobicContact CD1-CG1 4.17Å; I633-V734 HydrophobicContact CG1-CB 4.2Å; I633-V734 HydrophobicContact CG1-CG1 3.67Å; S728-V734 WeakPolarHBondContact CA-O 3.48Å; L732-V734 HydrophobicContact CB-CG2 3.85Å; L732-V734 PolarHBondContact O-N 3.19Å | ||
| 735 | A | 77.9 | Confident | 79.6 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | I727 | I727-A735 CarbonylContact O-C 3.56Å; I727-A735 WeakPolarHBondContact O-CA 3.01Å |
| 736 | S | 81 | Confident | 78.3 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | I727 | I727-S736 PolarHBondContact N-O 3.13Å; I727-S736 PolarHBondContact O-N 3.48Å |
| 737 | E | 84.2 | Confident | 76.9 | Confident | 135 Ų | 135 | 55.7 Ų | 55.7 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 156.5 | 169.8 | -54.7 | -171.7 | 158.5 | 0 | 0 | 111.5 | I675 L725 | I675-E737 HydrophobicContact CD1-CB 4.23Å; I675-E737 HydrophobicContact CD1-CG 3.73Å; L725-E737 CarbonylContact O-C 3.54Å; L725-E737 WeakPolarHBondContact O-CA 3.24Å |
| 738 | G | 80.4 | Confident | 75.7 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 158.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y658 T724 L725 I727 | Y658-G738 VanDerWaalsContact OH-CA 3.3Å; Y658-G738 WeakPolarHBondContact OH-CA 3.48Å; T724-G738 WeakPolarHBondContact CA-O 3.19Å; L725-G738 PolarHBondContact N-O 3.44Å; L725-G738 PolarHBondContact O-N 2.83Å; I727-G738 VanDerWaalsContact CD1-N 3.32Å |
| 739 | E | 85.9 | Confident | 74.9 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.4 | -175.9 | -29 | 137.5 | 126.8 | 0 | 0 | 110.2 | K638 A723 T724 | K638-E739 VanDerWaalsContact CE-O 3.31Å; K638-E739 WeakPolarHBondContact CE-O 3.3Å; K638-E739 PolarHBondContact NZ-O 2.85Å; K638-E739 IonicContact NZ-OE2 2.63Å; K638-E739 PolarHBondContact NZ-OE2 3.17Å; A723-E739 VanDerWaalsContact O-CA 3.3Å; A723-E739 WeakPolarHBondContact O-CA 3.43Å; T724-E739 HydrophobicContact CG2-CG 4.24Å |
| 740 | L | 87.6 | Confident | 74.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.4 | 168.3 | -175.7 | 56.4 | 0 | 0 | 0 | 108.4 | L641 I651 H655 L656 F683 T722 A723 | L641-L740 HydrophobicContact CD2-CD1 4.05Å; L641-L740 HydrophobicContact CD2-CD2 3.8Å; L641-L740 HydrophobicContact CD2-CG 3.9Å; I651-L740 HydrophobicContact CD1-CD2 3.64Å; I651-L740 HydrophobicContact CG1-CD2 4.33Å; H655-L740 HydrophobicContact CB-CD1 3.97Å; L656-L740 HydrophobicContact CB-CD1 4.45Å; F683-L740 HydrophobicContact CE1-CD2 3.79Å; F683-L740 HydrophobicContact CZ-CD2 3.95Å; T722-L740 WeakPolarHBondContact CA-O 2.85Å; A723-L740 PolarHBondContact N-O 2.88Å; A723-L740 PolarHBondContact O-N 3.25Å |
| 741 | L | 86.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.1 | -177.6 | 177.8 | 67.1 | 0 | 0 | 0 | 110.2 | A640 L641 N720 T722 | A640-L741 HydrophobicContact CB-CD2 4.32Å; L641-L741 VanDerWaalsContact CB-O 3.26Å; L641-L741 WeakPolarHBondContact CB-O 3.09Å; L641-L741 PolarHBondContact N-O 2.9Å; N720-L741 HydrophobicContact CB-CD1 4Å; T722-L741 HydrophobicContact CG2-CD1 3.8Å |
| 742 | V | 84.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129 | -179.6 | 169.5 | 0 | 0 | 0 | 0 | 108.1 | L641 L643 Y710 N720 D721 E2349 | L641-V742 HydrophobicContact CD2-CG2 4.49Å; L643-V742 HydrophobicContact CD2-CG1 3.74Å; Y710-V742 HydrophobicContact CD1-CG2 3.74Å; Y710-V742 HydrophobicContact CE1-CB 4.07Å; Y710-V742 HydrophobicContact CE1-CG1 3.69Å; Y710-V742 HydrophobicContact CE1-CG2 3.22Å; N720-V742 CarbonylContact C-O 3.59Å; N720-V742 WeakPolarHBondContact CA-O 3.49Å; N720-V742 WeakPolarHBondContact CB-O 3.16Å; D721-V742 HydrophobicContact CB-CB 3.81Å; D721-V742 HydrophobicContact CB-CG1 3.88Å; D721-V742 HydrophobicContact CB-CG2 4.23Å; D721-V742 PolarHBondContact N-O 2.73Å; D721-V742 WeakPolarHBondContact O-CB 3.47Å; D721-V742 PolarHBondContact O-N 2.96Å; V742-E2349 VanDerWaalsContact CA-OE1 3.22Å; V742-E2349 WeakPolarHBondContact CA-OE1 3.06Å; V742-E2349 VanDerWaalsContact CG1-OE1 3.31Å; V742-E2349 WeakPolarHBondContact CG1-OE1 3.41Å; V742-E2349 WeakPolarHBondContact CG1-OE2 3.32Å; V742-E2349 WeakPolarHBondContact CG2-OE2 3.45Å |
| 743 | K | 79.4 | Confident | 75.4 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 98.7 | 179.9 | -176.8 | -161.4 | 169.8 | -158.5 | 0 | 110.5 | L641 E642 L643 V745 E2349 | L641-K743 WeakPolarHBondContact O-CB 3.17Å; L641-K743 PolarHBondContact O-N 3.33Å; L641-K743 VanDerWaalsContact O-N 3.12Å; E642-K743 HydrophobicContact CG-CB 4.45Å; E642-K743 HydrophobicContact CG-CD 3.89Å; E642-K743 WeakPolarHBondContact OE1-CD 3.43Å; E642-K743 WeakPolarHBondContact OE1-CE 3.24Å; E642-K743 IonicContact OE1-NZ 3.23Å; E642-K743 PolarHBondContact OE1-NZ 2.77Å; E642-K743 IonicContact OE2-NZ 3.88Å; E642-K743 PolarHBondContact OE2-NZ 2.77Å; L643-K743 PolarHBondContact N-O 3.47Å; K743-V745 HydrophobicContact CD-CG1 4.14Å; K743-V745 HydrophobicContact CG-CG1 4.28Å; K743-V745 PolarHBondContact O-N 3.47Å; K743-V745 VanDerWaalsContact O-N 3.13Å; K743-E2349 PolarHBondContact N-OE1 2.87Å |
| 744 | L | 73.1 | Confident | 76 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 102.7 | 170.4 | -64.5 | 169 | 0 | 0 | 0 | 110.3 | L643 K645 K680 E717 Y718 N719 E2347 | L643-L744 HydrophobicContact CD1-CD2 4.05Å; L643-L744 HydrophobicContact CD2-CD2 3.54Å; L643-L744 HydrophobicContact CD2-CG 4.31Å; L643-L744 HydrophobicContact CG-CD2 3.79Å; L643-L744 CarbonylContact O-C 3.49Å; L643-L744 WeakPolarHBondContact O-CA 3.45Å; K645-L744 HydrophobicContact CG-CD2 4.32Å; K680-L744 HydrophobicContact CD-CD1 3.81Å; E717-L744 WeakPolarHBondContact O-CD1 3.4Å; Y718-L744 HydrophobicContact CD1-CB 4Å; N719-L744 WeakPolarHBondContact O-CD1 3.37Å; L744-E2347 HydrophobicContact CD2-CG 3.74Å |
| 745 | V | 66.5 | Low | 76.4 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 146.3 | 170 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | L643 P644 Y718 K743 | L643-V745 VanDerWaalsContact C-CG2 3.49Å; L643-V745 WeakPolarHBondContact O-CG2 3.12Å; L643-V745 PolarHBondContact O-N 2.84Å; P644-V745 WeakPolarHBondContact CA-O 3.34Å; Y718-V745 WeakPolarHBondContact CE1-O 3.42Å; K743-V745 HydrophobicContact CD-CG1 4.14Å; K743-V745 HydrophobicContact CG-CG1 4.28Å; K743-V745 PolarHBondContact O-N 3.47Å; K743-V745 VanDerWaalsContact O-N 3.13Å |
| 746 | P | 62.7 | Low | 76.4 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.7 | 171.3 | 29.3 | -34.4 | 0 | 0 | 0 | 111.4 | Y718 | Y718-P746 VanDerWaalsContact CE1-CA 3.48Å; Y718-P746 HydrophobicContact CE1-CB 4.1Å; Y718-P746 HydrophobicContact CE2-CB 4.5Å |
| 747 | K | 61.6 | Low | 76.7 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -78 | 149.9 | 163.6 | -63.1 | -171 | 176 | 96.6 | 0 | 108.7 | P644 K645 R646 F777 I781 L853 S855 | P644-K747 HydrophobicContact CB-CD 3.97Å; P644-K747 HydrophobicContact CB-CG 3.37Å; P644-K747 HydrophobicContact CG-CG 4.27Å; K645-K747 PolarHBondContact O-NZ 2.89Å; R646-K747 PolarHBondContact O-NZ 3.25Å; K747-F777 WeakPolarHBondContact CA-O 3.17Å; K747-I781 HydrophobicContact CD-CD1 3.41Å; K747-I781 VanDerWaalsContact CD-CD1 3.41Å; K747-I781 HydrophobicContact CD-CG1 3.55Å; K747-L853 HydrophobicContact CD-CD1 4.15Å; K747-S855 PolarHBondContact O-OG 2.84Å |
| 748 | T | 65.1 | Low | 76.7 | Confident | 80 Ų | 80 | 44.2 Ų | 44.2 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 160.2 | 168.7 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | T776 F777 | T748-T776 CarbonylContact O-C 3.3Å; T748-T776 WeakPolarHBondContact O-CA 3.25Å; T748-T776 WeakPolarHBondContact O-CB 3.12Å; T748-F777 PolarHBondContact N-O 2.81Å; T748-F777 VanDerWaalsContact N-O 3.09Å; T748-F777 PolarHBondContact O-N 2.94Å |
| 749 | V | 70.4 | Confident | 76.8 | Confident | 26 Ų | 26 | 44 Ų | 44 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.1 | -175.3 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | W775 T776 L850 A852 T857 | V749-W775 WeakPolarHBondContact CA-O 2.83Å; V749-W775 WeakPolarHBondContact CG2-O 2.77Å; V749-T776 HydrophobicContact CB-CG2 4.06Å; V749-T776 HydrophobicContact CG2-CG2 3.73Å; V749-L850 HydrophobicContact CB-CD2 4.28Å; V749-L850 HydrophobicContact CG1-CD2 3.88Å; V749-L850 HydrophobicContact CG2-CD2 3.39Å; V749-A852 HydrophobicContact CB-CB 4.26Å; V749-A852 HydrophobicContact CG2-CB 3.95Å; V749-T857 HydrophobicContact CG1-CG2 3.81Å |
| 750 | A | 68.9 | Low | 76.4 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A774 W775 F777 | A750-A774 CarbonylContact O-C 3.55Å; A750-A774 VanDerWaalsContact O-CA 3.25Å; A750-A774 WeakPolarHBondContact O-CA 3.26Å; A750-A774 WeakPolarHBondContact O-CB 3.23Å; A750-W775 PolarHBondContact N-O 3.31Å; A750-W775 PolarHBondContact O-N 2.87Å; A750-F777 HydrophobicContact CB-CD2 4.47Å; A750-F777 HydrophobicContact CB-CE2 4Å |
| 751 | I | 81.5 | Confident | 75.6 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 29% | 0.292 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 105.8 | 177.1 | -60.4 | 166.3 | 0 | 0 | 0 | 108.6 | K753 L772 A774 F848 L850 C860 | I751-K753 WeakPolarHBondContact CG2-O 2.96Å; I751-L772 HydrophobicContact CG2-CD1 4.38Å; I751-A774 HydrophobicContact CG1-CB 4.46Å; I751-F848 HydrophobicContact CD1-CE2 3.85Å; I751-F848 HydrophobicContact CD1-CZ 3.88Å; I751-L850 HydrophobicContact CG1-CD1 4.23Å; I751-C860 HydrophobicContact CD1-CB 4.26Å; I751-C860 VanDerWaalsContact CD1-SG 3.52Å |
| 752 | F | 74.7 | Confident | 75.1 | Confident | 117 Ų | 117 | 37 Ų | 37 | 51% | 0.513 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -25.8 | -179.1 | -96 | -102.7 | 0 | 0 | 0 | 113.6 | L773 W775 F777 | F752-L773 HydrophobicContact CB-CD2 4.43Å; F752-L773 HydrophobicContact CB-CG 4.4Å; F752-L773 PolarHBondContact N-O 2.8Å; F752-W775 HydrophobicContact CD2-CB 3.41Å; F752-W775 VanDerWaalsContact CD2-CB 3.41Å; F752-W775 HydrophobicContact CD2-CG 4.24Å; F752-W775 HydrophobicContact CE2-CB 3.59Å; F752-W775 HydrophobicContact CE2-CG 4.04Å; F752-W775 HydrophobicContact CG-CB 4.32Å; F752-F777 AromaticContact CE2-CE2 3.81Å; F752-F777 HydrophobicContact CE2-CE2 3.81Å; F752-F777 AromaticContact CE2-CZ 3.66Å; F752-F777 HydrophobicContact CE2-CZ 3.66Å; F752-F777 HydrophobicContact CZ-CE2 4.28Å; F752-F777 AromaticContact CZ-CZ 3.66Å; F752-F777 HydrophobicContact CZ-CZ 3.66Å |
| 753 | K | 71 | Confident | 74.8 | Confident | 107 Ų | 107 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133.8 | 173.1 | -58.8 | -173.5 | 177.4 | -175 | 0 | 111.3 | I751 L772 L773 | I751-K753 WeakPolarHBondContact CG2-O 2.96Å; K753-L772 WeakPolarHBondContact O-CA 2.94Å; K753-L773 HydrophobicContact CB-CB 4.04Å; K753-L773 HydrophobicContact CG-CB 4.33Å; K753-L773 PolarHBondContact N-O 2.68Å; K753-L773 PolarHBondContact O-N 3.15Å |
| 754 | S | 83.7 | Confident | 75.2 | Confident | 62 Ų | 62 | 42 Ų | 42 | 43% | 0.434 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 96.4 | 165.3 | -169.2 | 0 | 0 | 0 | 0 | 107.4 | H771 | S754-H771 CarbonylContact C-O 3.56Å; S754-H771 WeakPolarHBondContact CA-O 3.16Å |
| 755 | V | 77.6 | Confident | 75.8 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | trans | -113.4 | 133.2 | -176.3 | 176 | 0 | 0 | 0 | 0 | 108.5 | H771 F862 K2078 | V755-H771 PolarHBondContact N-O 2.86Å; V755-F862 WeakPolarHBondContact O-CE2 3.09Å; V755-F862 WeakPolarHBondContact O-CZ 3.34Å; V755-K2078 WeakPolarHBondContact CG1-O 3.27Å | ||
| 756 | P | 77.7 | Confident | 76.9 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | trans | -53.1 | 141.2 | 178.1 | -26.8 | 34.9 | 0 | 0 | 0 | 113.3 | F863 T2114 | P756-F863 HydrophobicContact CB-CB 4.18Å; P756-F863 HydrophobicContact CG-CB 4.41Å; P756-T2114 WeakPolarHBondContact CB-O 3.21Å | ||
| 757 | F | 88.4 | Confident | 78.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 97.9 | -175 | 178.5 | -134.6 | 0 | 0 | 0 | 112.2 | M759 A765 V766 L767 H771 F862 F863 I864 A865 | F757-M759 HydrophobicContact CD1-CG 4.31Å; F757-M759 HydrophobicContact CD1-SD 4.25Å; F757-M759 HydrophobicContact CE1-CG 3.95Å; F757-M759 HydrophobicContact CE1-SD 3.71Å; F757-M759 HydrophobicContact CE2-CG 4.46Å; F757-M759 HydrophobicContact CZ-CG 4.04Å; F757-M759 HydrophobicContact CZ-SD 4.23Å; F757-A765 HydrophobicContact CE1-CB 4.25Å; F757-A765 HydrophobicContact CE2-CB 4.33Å; F757-A765 HydrophobicContact CZ-CB 3.56Å; F757-V766 WeakPolarHBondContact CE2-O 3.37Å; F757-V766 WeakPolarHBondContact CZ-O 3.02Å; F757-L767 HydrophobicContact CB-CD1 3.79Å; F757-L767 HydrophobicContact CD1-CD1 3.44Å; F757-L767 VanDerWaalsContact CD1-CD1 3.44Å; F757-L767 HydrophobicContact CD2-CD1 3.92Å; F757-L767 HydrophobicContact CE1-CD1 3.88Å; F757-L767 HydrophobicContact CE2-CD1 4.33Å; F757-L767 HydrophobicContact CG-CD1 3.44Å; F757-L767 VanDerWaalsContact CG-CD1 3.44Å; F757-L767 HydrophobicContact CZ-CD1 4.29Å; F757-H771 AromaticContact CD2-CE1 3.24Å; F757-H771 WeakPolarHBondContact CD2-CE1 3.23Å; F757-H771 AromaticContact CD2-ND1 3.37Å; F757-H771 WeakPolarHBondContact CD2-ND1 3.2Å; F757-H771 AromaticContact CD2-NE2 3.87Å; F757-H771 AromaticContact CE2-CE1 3.34Å; F757-H771 WeakPolarHBondContact CE2-CE1 3.48Å; F757-H771 AromaticContact CE2-ND1 3.67Å; F757-F862 HydrophobicContact CB-CE1 3.6Å; F757-F862 HydrophobicContact CB-CZ 3.85Å; F757-F863 PolarHBondContact N-O 2.85Å; F757-I864 HydrophobicContact CB-CG1 4.39Å; F757-I864 HydrophobicContact CD1-CG1 4.4Å; F757-I864 HydrophobicContact CD1-CG2 4.24Å; F757-I864 CarbonylContact O-C 3.42Å; F757-I864 VanDerWaalsContact O-CA 3.3Å; F757-I864 WeakPolarHBondContact O-CA 3.46Å; F757-I864 WeakPolarHBondContact O-CG2 2.96Å; F757-A865 PolarHBondContact O-N 2.98Å |
| 758 | T | 83.6 | Confident | 79.4 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.4 | -178 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | I760 A865 I867 T2114 | T758-I760 HydrophobicContact CG2-CD1 4.34Å; T758-I760 HydrophobicContact CG2-CG1 3.81Å; T758-A865 CarbonylContact C-O 3.55Å; T758-A865 WeakPolarHBondContact CA-O 3.18Å; T758-A865 HydrophobicContact CG2-CB 3.97Å; T758-I867 HydrophobicContact CG2-CD1 3.7Å; T758-I867 HydrophobicContact CG2-CG1 4Å; T758-T2114 HydrophobicContact CG2-CG2 4.37Å; T758-T2114 WeakPolarHBondContact OG1-CA 3.07Å; T758-T2114 WeakPolarHBondContact OG1-CB 3.27Å; T758-T2114 WeakPolarHBondContact OG1-CG2 3.4Å; T758-T2114 PolarHBondContact OG1-O 3.45Å |
| 759 | M | 83.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.9 | -176.5 | -61.5 | -178.3 | 37.2 | 0 | 0 | 109.4 | F757 Q762 A765 Y832 L834 I864 A865 Y866 I867 | F757-M759 HydrophobicContact CD1-CG 4.31Å; F757-M759 HydrophobicContact CD1-SD 4.25Å; F757-M759 HydrophobicContact CE1-CG 3.95Å; F757-M759 HydrophobicContact CE1-SD 3.71Å; F757-M759 HydrophobicContact CE2-CG 4.46Å; F757-M759 HydrophobicContact CZ-CG 4.04Å; F757-M759 HydrophobicContact CZ-SD 4.23Å; M759-Q762 HydrophobicContact CB-CB 4.39Å; M759-Q762 HydrophobicContact CE-CB 4.31Å; M759-Q762 WeakPolarHBondContact CE-O 3.28Å; M759-A765 HydrophobicContact CB-CB 4.3Å; M759-A765 HydrophobicContact CE-CB 3.62Å; M759-A765 HydrophobicContact CG-CB 3.59Å; M759-A765 HydrophobicContact SD-CB 3.71Å; M759-Y832 HydrophobicContact CE-CD1 3.76Å; M759-Y832 HydrophobicContact CE-CE1 4.27Å; M759-Y832 HydrophobicContact SD-CD1 3.28Å; M759-Y832 WeakPolarHBondContact SD-CD1 3.37Å; M759-Y832 HydrophobicContact SD-CE1 3.87Å; M759-Y832 HydrophobicContact SD-CG 4.08Å; M759-L834 HydrophobicContact CE-CD1 3.65Å; M759-I864 HydrophobicContact SD-CG2 4.37Å; M759-A865 WeakPolarHBondContact CB-O 3.29Å; M759-A865 PolarHBondContact N-O 3.19Å; M759-Y866 CarbonylContact O-C 3.34Å; M759-Y866 WeakPolarHBondContact O-CA 3.05Å; M759-I867 PolarHBondContact O-N 3.16Å |
| 760 | I | 76.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.5 | -169.6 | -47.3 | 162.9 | 0 | 0 | 0 | 108.1 | T758 Q762 I867 R2050 L2081 L2091 V2112 | T758-I760 HydrophobicContact CG2-CD1 4.34Å; T758-I760 HydrophobicContact CG2-CG1 3.81Å; I760-Q762 WeakPolarHBondContact O-CG 3.17Å; I760-Q762 PolarHBondContact O-N 3.05Å; I760-Q762 PolarHBondContact O-NE2 2.85Å; I760-I867 CarbonylContact C-O 3.5Å; I760-I867 WeakPolarHBondContact CA-O 3.31Å; I760-I867 HydrophobicContact CG1-CD1 4.39Å; I760-I867 HydrophobicContact CG2-CB 4.31Å; I760-R2050 VanDerWaalsContact CG2-NH2 3.3Å; I760-L2081 HydrophobicContact CD1-CD1 3.98Å; I760-L2091 HydrophobicContact CB-CB 4.26Å; I760-L2091 HydrophobicContact CB-CD1 3.92Å; I760-L2091 HydrophobicContact CB-CD2 3.82Å; I760-L2091 HydrophobicContact CB-CG 4.21Å; I760-L2091 HydrophobicContact CD1-CD2 3.72Å; I760-L2091 HydrophobicContact CG1-CD2 4.38Å; I760-L2091 HydrophobicContact CG2-CD1 3.78Å; I760-L2091 HydrophobicContact CG2-CD2 3.96Å; I760-L2091 HydrophobicContact CG2-CG 4.43Å; I760-L2091 WeakPolarHBondContact O-CB 3.32Å; I760-L2091 WeakPolarHBondContact O-CD1 3.41Å; I760-V2112 HydrophobicContact CD1-CB 3.79Å; I760-V2112 HydrophobicContact CD1-CG1 3.48Å; I760-V2112 VanDerWaalsContact CD1-CG1 3.48Å; I760-V2112 HydrophobicContact CD1-CG2 4.15Å; I760-V2112 HydrophobicContact CG1-CG1 4.31Å |
| 761 | A | 69.9 | Low | 81.8 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 72 | -11.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I867 E869 L2091 | A761-I867 PolarHBondContact N-O 3.4Å; A761-E869 HydrophobicContact CB-CB 3.51Å; A761-E869 HydrophobicContact CB-CG 3.63Å; A761-L2091 HydrophobicContact CB-CD1 4.18Å |
| 762 | Q | 76.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -105 | 119 | -155.8 | -30.4 | -161.9 | -25.8 | 0 | 0 | 111.2 | M759 I760 K764 A765 Y866 L2091 Y2092 | M759-Q762 HydrophobicContact CB-CB 4.39Å; M759-Q762 HydrophobicContact CE-CB 4.31Å; M759-Q762 WeakPolarHBondContact CE-O 3.28Å; I760-Q762 WeakPolarHBondContact O-CG 3.17Å; I760-Q762 PolarHBondContact O-N 3.05Å; I760-Q762 PolarHBondContact O-NE2 2.85Å; Q762-K764 PolarHBondContact O-N 3.38Å; Q762-A765 HydrophobicContact CB-CB 4.3Å; Q762-Y866 VanDerWaalsContact O-CD2 3.28Å; Q762-Y866 WeakPolarHBondContact O-CD2 3.49Å; Q762-Y866 WeakPolarHBondContact O-CE2 2.57Å; Q762-L2091 VanDerWaalsContact NE2-CB 3.3Å; Q762-L2091 PolarHBondContact NE2-O 2.97Å; Q762-Y2092 HydrophobicContact CB-CD1 4.49Å; Q762-Y2092 HydrophobicContact CB-CE1 3.7Å; Q762-Y2092 HydrophobicContact CG-CD1 4.16Å; Q762-Y2092 HydrophobicContact CG-CE1 3.67Å; Q762-Y2092 HydrophobicContact CG-CE2 4.22Å; Q762-Y2092 VanDerWaalsContact NE2-CA 3.26Å; Q762-Y2092 VanDerWaalsContact NE2-CD1 3.31Å; Q762-Y2092 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 763 | R | 78.9 | Confident | 82.9 | Confident | 106 Ų | 106 | 34.2 Ų | 34.2 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -71.5 | -11.7 | 163.3 | -68.1 | -165.5 | 62.4 | -155.7 | -14.7 | 112.7 | E833 L834 H836 S837 | R763-E833 CarbonylContact O-C 3.54Å; R763-E833 VanDerWaalsContact O-CA 3.28Å; R763-E833 WeakPolarHBondContact O-CA 3.18Å; R763-L834 PolarHBondContact NH2-O 2.82Å; R763-L834 PolarHBondContact O-N 2.88Å; R763-H836 PolarHBondContact NE-O 3.06Å; R763-S837 WeakPolarHBondContact CD-OG 3.43Å; R763-S837 PolarHBondContact NH1-OG 2.83Å |
| 764 | K | 86.8 | Confident | 83.6 | Confident | 72 Ų | 72 | 29.2 Ų | 29.2 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 127.5 | -176.7 | -173.4 | 171.4 | -170.2 | 146.5 | 0 | 110.9 | Q762 T831 Y832 E833 Y2092 | Q762-K764 PolarHBondContact O-N 3.38Å; K764-T831 HydrophobicContact CD-CG2 4.24Å; K764-T831 HydrophobicContact CG-CG2 3.5Å; K764-Y832 CarbonylContact C-O 3.59Å; K764-Y832 VanDerWaalsContact CA-O 3.27Å; K764-Y832 WeakPolarHBondContact CA-O 3.44Å; K764-E833 HydrophobicContact CB-CB 4.48Å; K764-E833 HydrophobicContact CB-CG 4.21Å; K764-E833 HydrophobicContact CD-CG 4.32Å; K764-E833 WeakPolarHBondContact CD-OE2 3.4Å; K764-E833 VanDerWaalsContact CE-OE2 3.24Å; K764-E833 WeakPolarHBondContact CE-OE2 3.08Å; K764-E833 HydrophobicContact CG-CB 4.24Å; K764-E833 HydrophobicContact CG-CG 4.28Å; K764-E833 IonicContact NZ-OE2 2.68Å; K764-E833 PolarHBondContact NZ-OE2 2.76Å; K764-Y2092 WeakPolarHBondContact O-CE1 3.29Å |
| 765 | A | 85.8 | Confident | 83.3 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F757 M759 Q762 T831 Y832 | F757-A765 HydrophobicContact CE1-CB 4.25Å; F757-A765 HydrophobicContact CE2-CB 4.33Å; F757-A765 HydrophobicContact CZ-CB 3.56Å; M759-A765 HydrophobicContact CB-CB 4.3Å; M759-A765 HydrophobicContact CE-CB 3.62Å; M759-A765 HydrophobicContact CG-CB 3.59Å; M759-A765 HydrophobicContact SD-CB 3.71Å; Q762-A765 HydrophobicContact CB-CB 4.3Å; A765-T831 CarbonylContact O-C 3.59Å; A765-T831 VanDerWaalsContact O-CA 3.25Å; A765-T831 WeakPolarHBondContact O-CA 3.11Å; A765-T831 WeakPolarHBondContact O-CG2 2.88Å; A765-Y832 PolarHBondContact N-O 3.32Å; A765-Y832 PolarHBondContact O-N 3.36Å |
| 766 | V | 90.4 | Very high | 83 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 28% | 0.279 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.3 | -170.3 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | F757 Q768 H828 L830 T831 | F757-V766 WeakPolarHBondContact CE2-O 3.37Å; F757-V766 WeakPolarHBondContact CZ-O 3.02Å; V766-Q768 HydrophobicContact CG1-CG 4.43Å; V766-H828 HydrophobicContact CG1-CB 3.81Å; V766-H828 WeakPolarHBondContact CG1-O 3.16Å; V766-L830 CarbonylContact C-O 3.52Å; V766-L830 WeakPolarHBondContact CA-O 3.38Å; V766-L830 WeakPolarHBondContact CG1-O 3.45Å; V766-T831 HydrophobicContact CG2-CG2 4.15Å |
| 767 | L | 88.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -79.9 | 134.8 | 172 | -147.2 | 76.7 | 0 | 0 | 0 | 110.3 | F757 H771 L772 L830 F862 | F757-L767 HydrophobicContact CB-CD1 3.79Å; F757-L767 HydrophobicContact CD1-CD1 3.44Å; F757-L767 VanDerWaalsContact CD1-CD1 3.44Å; F757-L767 HydrophobicContact CD2-CD1 3.92Å; F757-L767 HydrophobicContact CE1-CD1 3.88Å; F757-L767 HydrophobicContact CE2-CD1 4.33Å; F757-L767 HydrophobicContact CG-CD1 3.44Å; F757-L767 VanDerWaalsContact CG-CD1 3.44Å; F757-L767 HydrophobicContact CZ-CD1 4.29Å; L767-H771 HydrophobicContact CD1-CB 4.03Å; L767-H771 HydrophobicContact CG-CB 4.12Å; L767-L772 HydrophobicContact CD2-CB 4.31Å; L767-L772 HydrophobicContact CD2-CD2 4.33Å; L767-L830 HydrophobicContact CB-CB 4.3Å; L767-L830 HydrophobicContact CB-CD2 4.02Å; L767-L830 HydrophobicContact CB-CG 4.18Å; L767-L830 HydrophobicContact CD2-CD2 3.66Å; L767-L830 HydrophobicContact CG-CD2 4.47Å; L767-L830 PolarHBondContact N-O 3.22Å; L767-F862 HydrophobicContact CD1-CE1 3.74Å; L767-F862 HydrophobicContact CD1-CZ 3.85Å; L767-F862 HydrophobicContact CD2-CE1 4.43Å; L767-F862 HydrophobicContact CD2-CZ 4.44Å | ||
| 768 | Q | 87 | Confident | 80 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | trans | -133.6 | 166.4 | -175.5 | -56.2 | -170.8 | -9.3 | 0 | 0 | 111.8 | V766 K770 H771 L772 I825 N2094 | V766-Q768 HydrophobicContact CG1-CG 4.43Å; Q768-K770 PolarHBondContact O-N 2.93Å; Q768-H771 PolarHBondContact N-ND1 2.7Å; Q768-H771 WeakPolarHBondContact O-CB 3.43Å; Q768-H771 PolarHBondContact O-N 2.83Å; Q768-L772 PolarHBondContact O-N 2.87Å; Q768-I825 WeakPolarHBondContact O-CG2 3.47Å; Q768-N2094 PolarHBondContact OE1-ND2 2.89Å | ||
| 769 | R | 87.3 | Confident | 78.7 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 38% | 0.377 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -28.7 | -176.2 | -170 | 178.5 | -101 | -143.4 | -3.3 | 114.6 | H771 L773 D826 | R769-H771 VanDerWaalsContact C-N 3.29Å; R769-H771 PolarHBondContact O-N 2.74Å; R769-L773 HydrophobicContact CG-CB 4.34Å; R769-L773 HydrophobicContact CG-CD1 3.99Å; R769-L773 HydrophobicContact CG-CD2 4.39Å; R769-L773 HydrophobicContact CG-CG 4.47Å; R769-D826 VanDerWaalsContact CB-OD1 3.27Å; R769-D826 WeakPolarHBondContact CB-OD1 3.44Å; R769-D826 WeakPolarHBondContact CG-OD1 3.26Å; R769-D826 IonicContact CZ-OD1 3.96Å; R769-D826 IonicContact CZ-OD2 3.21Å; R769-D826 VanDerWaalsContact CZ-OD2 3.26Å; R769-D826 IonicContact NE-OD1 2.64Å; R769-D826 PolarHBondContact NE-OD1 2.78Å; R769-D826 IonicContact NE-OD2 3.22Å; R769-D826 PolarHBondContact NE-OD2 3.32Å; R769-D826 IonicContact NH2-OD1 2.7Å; R769-D826 IonicContact NH2-OD2 3.62Å; R769-D826 PolarHBondContact NH2-OD2 3.49Å |
| 770 | K | 80.5 | Confident | 77.6 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -25.9 | 177.3 | 80.6 | 170.7 | -156.3 | -173 | 0 | 113.2 | Q768 N2094 | Q768-K770 PolarHBondContact O-N 2.93Å; K770-N2094 WeakPolarHBondContact CE-ND2 3.34Å; K770-N2094 WeakPolarHBondContact CE-OD1 3.13Å; K770-N2094 PolarHBondContact NZ-O 2.9Å; K770-N2094 PolarHBondContact NZ-OD1 2.94Å |
| 771 | H | 88.2 | Confident | 77.3 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -48.7 | 178.8 | -55.2 | 150.1 | 0 | 0 | 0 | 111 | S754 V755 F757 L767 Q768 R769 F862 N2094 | S754-H771 CarbonylContact C-O 3.56Å; S754-H771 WeakPolarHBondContact CA-O 3.16Å; V755-H771 PolarHBondContact N-O 2.86Å; F757-H771 AromaticContact CD2-CE1 3.24Å; F757-H771 WeakPolarHBondContact CD2-CE1 3.23Å; F757-H771 AromaticContact CD2-ND1 3.37Å; F757-H771 WeakPolarHBondContact CD2-ND1 3.2Å; F757-H771 AromaticContact CD2-NE2 3.87Å; F757-H771 AromaticContact CE2-CE1 3.34Å; F757-H771 WeakPolarHBondContact CE2-CE1 3.48Å; F757-H771 AromaticContact CE2-ND1 3.67Å; L767-H771 HydrophobicContact CD1-CB 4.03Å; L767-H771 HydrophobicContact CG-CB 4.12Å; Q768-H771 PolarHBondContact N-ND1 2.7Å; Q768-H771 WeakPolarHBondContact O-CB 3.43Å; Q768-H771 PolarHBondContact O-N 2.83Å; R769-H771 VanDerWaalsContact C-N 3.29Å; R769-H771 PolarHBondContact O-N 2.74Å; H771-F862 HydrophobicContact CB-CE2 4.43Å; H771-F862 HydrophobicContact CB-CZ 4.01Å; H771-N2094 PolarHBondContact CE1-ND2 2.9Å; H771-N2094 PolarHBondContact CE1-OD1 2.79Å; H771-N2094 PolarHBondContact NE2-ND2 3.29Å; H771-N2094 PolarHBondContact NE2-OD1 3.22Å; H771-N2094 VanDerWaalsContact NE2-OD1 3.09Å |
| 772 | L | 89.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 118.5 | -174.9 | -171.3 | 54.6 | 0 | 0 | 0 | 110 | I751 K753 L767 Q768 Y788 Q822 I825 F848 F862 | I751-L772 HydrophobicContact CG2-CD1 4.38Å; K753-L772 WeakPolarHBondContact O-CA 2.94Å; L767-L772 HydrophobicContact CD2-CB 4.31Å; L767-L772 HydrophobicContact CD2-CD2 4.33Å; Q768-L772 PolarHBondContact O-N 2.87Å; L772-Y788 HydrophobicContact CD1-CE1 3.99Å; L772-Y788 HydrophobicContact CD2-CD1 3.94Å; L772-Y788 HydrophobicContact CD2-CE1 3.51Å; L772-Y788 HydrophobicContact CG-CE1 3.62Å; L772-Q822 PolarHBondContact O-NE2 2.83Å; L772-I825 HydrophobicContact CB-CD1 4.21Å; L772-I825 HydrophobicContact CD2-CD1 4.21Å; L772-I825 HydrophobicContact CG-CD1 4.2Å; L772-F848 HydrophobicContact CD1-CE1 4.4Å; L772-F848 HydrophobicContact CD1-CZ 3.96Å; L772-F848 HydrophobicContact CD2-CE1 4.42Å; L772-F848 HydrophobicContact CD2-CZ 4.46Å; L772-F862 HydrophobicContact CB-CD2 4.41Å; L772-F862 HydrophobicContact CB-CE2 4.02Å; L772-F862 HydrophobicContact CD1-CD2 4.13Å; L772-F862 HydrophobicContact CD1-CE2 4.43Å; L772-F862 HydrophobicContact CD2-CD2 4.09Å; L772-F862 HydrophobicContact CD2-CE2 4.46Å; L772-F862 HydrophobicContact CG-CD2 4.45Å |
| 773 | L | 89.8 | Confident | 77.8 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 126.5 | 178.9 | 174.3 | 62.5 | 0 | 0 | 0 | 110.5 | F752 K753 R769 Q822 | F752-L773 HydrophobicContact CB-CD2 4.43Å; F752-L773 HydrophobicContact CB-CG 4.4Å; F752-L773 PolarHBondContact N-O 2.8Å; K753-L773 HydrophobicContact CB-CB 4.04Å; K753-L773 HydrophobicContact CG-CB 4.33Å; K753-L773 PolarHBondContact N-O 2.68Å; K753-L773 PolarHBondContact O-N 3.15Å; R769-L773 HydrophobicContact CG-CB 4.34Å; R769-L773 HydrophobicContact CG-CD1 3.99Å; R769-L773 HydrophobicContact CG-CD2 4.39Å; R769-L773 HydrophobicContact CG-CG 4.47Å; L773-Q822 VanDerWaalsContact CA-OE1 3.3Å; L773-Q822 HydrophobicContact CD1-CG 4.46Å |
| 774 | A | 84.5 | Confident | 78 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 161.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A750 I751 I786 Y788 L850 | A750-A774 CarbonylContact O-C 3.55Å; A750-A774 VanDerWaalsContact O-CA 3.25Å; A750-A774 WeakPolarHBondContact O-CA 3.26Å; A750-A774 WeakPolarHBondContact O-CB 3.23Å; I751-A774 HydrophobicContact CG1-CB 4.46Å; A774-I786 HydrophobicContact CB-CG2 4.1Å; A774-Y788 WeakPolarHBondContact CB-OH 3.25Å; A774-Y788 PolarHBondContact N-OH 3.13Å; A774-L850 HydrophobicContact CB-CD1 3.31Å; A774-L850 HydrophobicContact CB-CD2 4.39Å; A774-L850 HydrophobicContact CB-CG 4.49Å |
| 775 | W | 78.6 | Confident | 77.8 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 38% | 0.375 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 158.1 | -174.5 | -159.4 | -85.3 | 0 | 0 | 0 | 109.8 | V749 A750 F752 P780 | V749-W775 WeakPolarHBondContact CA-O 2.83Å; V749-W775 WeakPolarHBondContact CG2-O 2.77Å; A750-W775 PolarHBondContact N-O 3.31Å; A750-W775 PolarHBondContact O-N 2.87Å; F752-W775 HydrophobicContact CD2-CB 3.41Å; F752-W775 VanDerWaalsContact CD2-CB 3.41Å; F752-W775 HydrophobicContact CD2-CG 4.24Å; F752-W775 HydrophobicContact CE2-CB 3.59Å; F752-W775 HydrophobicContact CE2-CG 4.04Å; F752-W775 HydrophobicContact CG-CB 4.32Å; W775-P780 HydrophobicContact CD2-CB 4.48Å; W775-P780 HydrophobicContact CZ2-CB 3.78Å; W775-P780 HydrophobicContact CZ2-CG 4.04Å |
| 776 | T | 70.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.7 | -178.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | T748 V749 N779 P780 I781 I786 A852 | T748-T776 CarbonylContact O-C 3.3Å; T748-T776 WeakPolarHBondContact O-CA 3.25Å; T748-T776 WeakPolarHBondContact O-CB 3.12Å; V749-T776 HydrophobicContact CB-CG2 4.06Å; V749-T776 HydrophobicContact CG2-CG2 3.73Å; T776-N779 CarbonylContact C-O 3.44Å; T776-N779 CarbonylContact O-C 3.57Å; T776-N779 VanDerWaalsContact O-O 3.11Å; T776-N779 PolarHBondContact OG1-O 2.9Å; T776-P780 WeakPolarHBondContact OG1-CA 3.33Å; T776-I781 HydrophobicContact CG2-CD1 3.7Å; T776-I781 HydrophobicContact CG2-CG1 4.15Å; T776-I781 WeakPolarHBondContact OG1-CG1 3.25Å; T776-I781 PolarHBondContact OG1-N 3.44Å; T776-I786 HydrophobicContact CG2-CD1 4.46Å; T776-A852 HydrophobicContact CG2-CB 3.93Å |
| 777 | F | 54.1 | Low | 77.7 | Confident | 91 Ų | 91 | 48 Ų | 48 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.2 | 177.1 | -66.6 | -82.3 | 0 | 0 | 0 | 111 | K747 T748 A750 F752 | K747-F777 WeakPolarHBondContact CA-O 3.17Å; T748-F777 PolarHBondContact N-O 2.81Å; T748-F777 VanDerWaalsContact N-O 3.09Å; T748-F777 PolarHBondContact O-N 2.94Å; A750-F777 HydrophobicContact CB-CD2 4.47Å; A750-F777 HydrophobicContact CB-CE2 4Å; F752-F777 AromaticContact CE2-CE2 3.81Å; F752-F777 HydrophobicContact CE2-CE2 3.81Å; F752-F777 AromaticContact CE2-CZ 3.66Å; F752-F777 HydrophobicContact CE2-CZ 3.66Å; F752-F777 HydrophobicContact CZ-CE2 4.28Å; F752-F777 AromaticContact CZ-CZ 3.66Å; F752-F777 HydrophobicContact CZ-CZ 3.66Å |
| 778 | P | 48.4 | Very low | 77.9 | Confident | 80 Ų | 80 | 48 Ų | 48 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | S | Bend | cis | -72.8 | -32.5 | -5.1 | 29.1 | -34.3 | 0 | 0 | 0 | 113 | ||
| 779 | N | 57.7 | Low | 78.2 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -100.4 | 139.1 | -177.3 | -67.8 | -8.7 | 0 | 0 | 0 | 111.8 | S647 T776 I781 | S647-N779 PolarHBondContact OG-ND2 2.91Å; T776-N779 CarbonylContact C-O 3.44Å; T776-N779 CarbonylContact O-C 3.57Å; T776-N779 VanDerWaalsContact O-O 3.11Å; T776-N779 PolarHBondContact OG1-O 2.9Å; N779-I781 PolarHBondContact O-N 3.32Å |
| 780 | P | 61 | Low | 78.3 | Confident | 78 Ų | 78 | 44 Ų | 44 | 51% | 0.506 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 131.4 | 169.6 | 26.1 | -32.3 | 0 | 0 | 0 | 111.2 | W775 T776 | W775-P780 HydrophobicContact CD2-CB 4.48Å; W775-P780 HydrophobicContact CZ2-CB 3.78Å; W775-P780 HydrophobicContact CZ2-CG 4.04Å; T776-P780 WeakPolarHBondContact OG1-CA 3.33Å |
| 781 | I | 70 | Confident | 78.6 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 161.6 | 167.8 | -54 | 167.3 | 0 | 0 | 0 | 108.9 | K747 T776 N779 D785 A852 L853 | K747-I781 HydrophobicContact CD-CD1 3.41Å; K747-I781 VanDerWaalsContact CD-CD1 3.41Å; K747-I781 HydrophobicContact CD-CG1 3.55Å; T776-I781 HydrophobicContact CG2-CD1 3.7Å; T776-I781 HydrophobicContact CG2-CG1 4.15Å; T776-I781 WeakPolarHBondContact OG1-CG1 3.25Å; T776-I781 PolarHBondContact OG1-N 3.44Å; N779-I781 PolarHBondContact O-N 3.32Å; I781-D785 HydrophobicContact CG2-CB 3.67Å; I781-D785 WeakPolarHBondContact CG2-OD2 3.29Å; I781-A852 HydrophobicContact CD1-CB 4.46Å; I781-L853 HydrophobicContact CD1-CB 4.5Å; I781-L853 HydrophobicContact CD1-CD1 3.84Å; I781-L853 HydrophobicContact CD1-CG 3.9Å |
| 782 | L | 76.8 | Confident | 78.5 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 142.5 | 171 | -63.2 | 173.5 | 0 | 0 | 0 | 110.7 | E784 D785 | L782-E784 HydrophobicContact CB-CG 4.44Å; L782-E784 PolarHBondContact O-N 2.89Å; L782-D785 PolarHBondContact O-N 2.75Å |
| 783 | P | 80.3 | Confident | 78.3 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -14 | 173.8 | -27.9 | 37.1 | 0 | 0 | 0 | 114.6 | Q822 A823 D826 | P783-Q822 HydrophobicContact CB-CB 3.98Å; P783-Q822 HydrophobicContact CB-CG 3.9Å; P783-Q822 CarbonylContact O-C 2.87Å; P783-Q822 WeakPolarHBondContact O-CB 3.33Å; P783-Q822 PolarHBondContact O-N 3.22Å; P783-A823 HydrophobicContact CB-CB 4.03Å; P783-A823 WeakPolarHBondContact O-CB 3.19Å; P783-A823 PolarHBondContact O-N 2.77Å; P783-D826 WeakPolarHBondContact CB-OD2 3.19Å; P783-D826 WeakPolarHBondContact CG-OD2 3.5Å |
| 784 | E | 83 | Confident | 78.1 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -33.8 | -178.3 | -45.8 | -129.8 | -151.8 | 0 | 0 | 111.4 | L782 T821 A823 R827 | L782-E784 HydrophobicContact CB-CG 4.44Å; L782-E784 PolarHBondContact O-N 2.89Å; E784-T821 WeakPolarHBondContact O-CG2 2.98Å; E784-A823 HydrophobicContact CB-CB 4.37Å; E784-A823 HydrophobicContact CG-CB 3.96Å; E784-R827 IonicContact OE1-CZ 3.09Å; E784-R827 IonicContact OE1-NH1 2.65Å; E784-R827 PolarHBondContact OE1-NH1 2.91Å; E784-R827 IonicContact OE1-NH2 2.76Å; E784-R827 PolarHBondContact OE1-NH2 3.35Å; E784-R827 IonicContact OE2-CZ 2.69Å; E784-R827 IonicContact OE2-NH1 2.61Å; E784-R827 PolarHBondContact OE2-NH1 2.69Å; E784-R827 IonicContact OE2-NH2 3.6Å |
| 785 | D | 82.7 | Confident | 78.1 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19.5 | -176.1 | -50.9 | -55.8 | 0 | 0 | 0 | 112.8 | I781 L782 T787 | I781-D785 HydrophobicContact CG2-CB 3.67Å; I781-D785 WeakPolarHBondContact CG2-OD2 3.29Å; L782-D785 PolarHBondContact O-N 2.75Å; D785-T787 PolarHBondContact O-N 2.97Å; D785-T787 VanDerWaalsContact O-N 3.13Å; D785-T787 PolarHBondContact O-OG1 2.71Å |
| 786 | I | 85.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 98.3 | 176.4 | -58.1 | 179.1 | 0 | 0 | 0 | 108.5 | A774 T776 Y788 T821 Q822 L850 A852 | A774-I786 HydrophobicContact CB-CG2 4.1Å; T776-I786 HydrophobicContact CG2-CD1 4.46Å; I786-Y788 HydrophobicContact CG2-CE2 4.26Å; I786-T821 CarbonylContact O-C 3.19Å; I786-T821 WeakPolarHBondContact O-CA 3.18Å; I786-Q822 HydrophobicContact CB-CB 3.89Å; I786-Q822 HydrophobicContact CG2-CB 4.02Å; I786-Q822 PolarHBondContact O-N 3.06Å; I786-L850 HydrophobicContact CG2-CD1 4.37Å; I786-L850 HydrophobicContact CG2-CD2 4.03Å; I786-L850 HydrophobicContact CG2-CG 4.38Å; I786-A852 HydrophobicContact CG1-CB 4.29Å |
| 787 | T | 88.6 | Confident | 79 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.4 | -172.5 | -62 | 0 | 0 | 0 | 0 | 112.2 | D785 K819 L850 T851 | D785-T787 PolarHBondContact O-N 2.97Å; D785-T787 VanDerWaalsContact O-N 3.13Å; D785-T787 PolarHBondContact O-OG1 2.71Å; T787-K819 HydrophobicContact CG2-CB 4.08Å; T787-K819 HydrophobicContact CG2-CD 4Å; T787-K819 HydrophobicContact CG2-CG 4.27Å; T787-L850 CarbonylContact O-C 3.54Å; T787-L850 WeakPolarHBondContact O-CA 3.46Å; T787-T851 WeakPolarHBondContact CB-OG1 2.69Å; T787-T851 PolarHBondContact N-O 3.48Å; T787-T851 PolarHBondContact O-N 3.45Å; T787-T851 PolarHBondContact O-OG1 2.8Å |
| 788 | Y | 91.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.8 | 171.6 | -63.9 | -104.8 | 0 | 0 | 0 | 110.1 | L772 A774 I786 K819 F820 Q822 I825 F848 T849 L850 | L772-Y788 HydrophobicContact CD1-CE1 3.99Å; L772-Y788 HydrophobicContact CD2-CD1 3.94Å; L772-Y788 HydrophobicContact CD2-CE1 3.51Å; L772-Y788 HydrophobicContact CG-CE1 3.62Å; A774-Y788 WeakPolarHBondContact CB-OH 3.25Å; A774-Y788 PolarHBondContact N-OH 3.13Å; I786-Y788 HydrophobicContact CG2-CE2 4.26Å; Y788-K819 VanDerWaalsContact O-CA 3.23Å; Y788-K819 WeakPolarHBondContact O-CA 3.32Å; Y788-F820 WeakPolarHBondContact CA-O 3.47Å; Y788-F820 VanDerWaalsContact CB-CZ 3.48Å; Y788-F820 WeakPolarHBondContact CB-O 3.37Å; Y788-F820 AromaticContact CD1-CE2 3.95Å; Y788-F820 HydrophobicContact CD1-CE2 3.95Å; Y788-F820 HydrophobicContact CD1-CZ 4.16Å; Y788-F820 AromaticContact CD2-CD2 3.98Å; Y788-F820 HydrophobicContact CD2-CD2 3.98Å; Y788-F820 AromaticContact CD2-CE2 3.74Å; Y788-F820 HydrophobicContact CD2-CE2 3.74Å; Y788-F820 AromaticContact CG-CD2 3.98Å; Y788-F820 HydrophobicContact CG-CD2 3.98Å; Y788-F820 AromaticContact CG-CE2 3.41Å; Y788-F820 HydrophobicContact CG-CE2 3.41Å; Y788-F820 VanDerWaalsContact CG-CE2 3.41Å; Y788-F820 AromaticContact CG-CZ 3.87Å; Y788-F820 HydrophobicContact CG-CZ 3.87Å; Y788-F820 PolarHBondContact N-O 2.94Å; Y788-F820 PolarHBondContact O-N 3.14Å; Y788-Q822 HydrophobicContact CE2-CB 4.22Å; Y788-Q822 PolarHBondContact OH-OE1 2.81Å; Y788-I825 HydrophobicContact CD2-CD1 4.19Å; Y788-I825 HydrophobicContact CE2-CD1 3.73Å; Y788-F848 AromaticContact CD1-CD2 3.52Å; Y788-F848 HydrophobicContact CD1-CD2 3.52Å; Y788-F848 AromaticContact CD1-CE2 3.65Å; Y788-F848 HydrophobicContact CD1-CE2 3.65Å; Y788-F848 HydrophobicContact CD1-CG 4.16Å; Y788-F848 HydrophobicContact CD1-CZ 4.4Å; Y788-F848 HydrophobicContact CE1-CD2 4.07Å; Y788-F848 AromaticContact CE1-CE2 3.69Å; Y788-F848 HydrophobicContact CE1-CE2 3.69Å; Y788-F848 HydrophobicContact CE1-CZ 4.22Å; Y788-T849 WeakPolarHBondContact CA-O 3.4Å; Y788-L850 HydrophobicContact CD1-CD1 4.02Å; Y788-L850 HydrophobicContact CD1-CG 4.46Å; Y788-L850 HydrophobicContact CE1-CD1 3.46Å; Y788-L850 VanDerWaalsContact CE1-CD1 3.46Å; Y788-L850 HydrophobicContact CE1-CG 4.36Å; Y788-L850 HydrophobicContact CE2-CD1 4.13Å |
| 789 | Q | 92.7 | Very high | 82.7 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.3 | 174.3 | -176.8 | -177.9 | -78.1 | 0 | 0 | 110.4 | V791 K819 F848 T849 | Q789-V791 PolarHBondContact O-N 2.82Å; Q789-K819 HydrophobicContact CB-CG 4.08Å; Q789-K819 HydrophobicContact CG-CG 4.07Å; Q789-F848 CarbonylContact O-C 3.51Å; Q789-F848 WeakPolarHBondContact O-CA 3.19Å; Q789-F848 WeakPolarHBondContact O-CB 3.38Å; Q789-T849 PolarHBondContact N-O 2.85Å; Q789-T849 PolarHBondContact O-N 2.67Å |
| 790 | I | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.4 | -179 | -61.1 | 170 | 0 | 0 | 0 | 110.6 | R792 L799 L814 G815 H817 S818 F820 Q847 | I790-R792 WeakPolarHBondContact CG2-O 3.43Å; I790-L799 HydrophobicContact CD1-CD1 3.65Å; I790-L799 HydrophobicContact CG1-CD1 4.48Å; I790-L814 HydrophobicContact CD1-CB 3.81Å; I790-L814 HydrophobicContact CD1-CD1 4.35Å; I790-G815 WeakPolarHBondContact CB-O 3.24Å; I790-H817 WeakPolarHBondContact O-CA 3.14Å; I790-H817 PolarHBondContact O-N 2.77Å; I790-S818 PolarHBondContact N-O 3.47Å; I790-F820 HydrophobicContact CD1-CD1 4.49Å; I790-F820 HydrophobicContact CD1-CE1 4.19Å; I790-F820 HydrophobicContact CG1-CD1 4.48Å; I790-F820 HydrophobicContact CG1-CE1 3.93Å; I790-Q847 CarbonylContact C-O 3.55Å; I790-Q847 WeakPolarHBondContact CA-O 3.05Å |
| 791 | V | 86.8 | Confident | 85.6 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 33% | 0.333 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -31.6 | 175 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | Q789 V816 Q847 T849 P859 | Q789-V791 PolarHBondContact O-N 2.82Å; V791-V816 WeakPolarHBondContact O-CG1 3.49Å; V791-Q847 HydrophobicContact CB-CB 4.11Å; V791-Q847 PolarHBondContact N-O 2.86Å; V791-T849 HydrophobicContact CG2-CG2 3.95Å; V791-P859 HydrophobicContact CG2-CB 4.37Å |
| 792 | R | 86.1 | Confident | 86.3 | Confident | 139 Ų | 139 | 46.7 Ų | 46.7 | 53% | 0.525 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 127.4 | 174.9 | -168.5 | 178.8 | -175.9 | 175.4 | 1.6 | 109 | I790 F846 Q847 | I790-R792 WeakPolarHBondContact CG2-O 3.43Å; R792-F846 CarbonylContact O-C 3.54Å; R792-F846 VanDerWaalsContact O-CA 3.29Å; R792-F846 WeakPolarHBondContact O-CA 3.44Å; R792-F846 VanDerWaalsContact O-CB 3.24Å; R792-F846 WeakPolarHBondContact O-CB 3.11Å; R792-Q847 HydrophobicContact CB-CB 3.86Å; R792-Q847 HydrophobicContact CB-CG 4.19Å; R792-Q847 PolarHBondContact N-O 3.17Å; R792-Q847 PolarHBondContact O-N 2.93Å |
| 793 | A | 85.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | trans | -82.2 | 162 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V816 | A793-V816 HydrophobicContact CB-CG2 4.17Š| ||
| 794 | P | 86.5 | Confident | 85.2 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | trans | -64.4 | 159.7 | 175.3 | -12.8 | 25.8 | 0 | 0 | 0 | 113.8 | L799 Y832 D844 H845 F846 | P794-L799 HydrophobicContact CG-CG 4.29Å; P794-Y832 HydrophobicContact CB-CD2 4.39Å; P794-Y832 HydrophobicContact CB-CE2 3.72Å; P794-Y832 HydrophobicContact CG-CD2 4.1Å; P794-Y832 HydrophobicContact CG-CE2 3.93Å; P794-D844 WeakPolarHBondContact CB-OD2 3.47Å; P794-H845 WeakPolarHBondContact CA-O 3.26Å; P794-F846 HydrophobicContact CG-CB 4.15Å | ||
| 795 | L | 84.3 | Confident | 83.9 | Confident | 129 Ų | 129 | 47 Ų | 47 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -98.4 | -42.6 | -173.3 | -175.4 | 66.7 | 0 | 0 | 0 | 113.6 | D844 | L795-D844 VanDerWaalsContact N-CG 3.33Å; L795-D844 PolarHBondContact N-OD1 3.37Å; L795-D844 PolarHBondContact N-OD2 3.04Å |
| 796 | Y | 82 | Confident | 82.5 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -97.7 | -27 | -174.9 | -64.2 | -73.1 | 0 | 0 | 0 | 112.7 | R835 I842 Y843 D844 | Y796-R835 VanDerWaalsContact O-CB 3.26Å; Y796-R835 WeakPolarHBondContact O-CB 3.28Å; Y796-R835 PolarHBondContact O-N 2.76Å; Y796-R835 VanDerWaalsContact O-N 3.11Å; Y796-I842 HydrophobicContact CD1-CG2 4.01Å; Y796-I842 HydrophobicContact CD2-CG2 3.44Å; Y796-I842 VanDerWaalsContact CD2-CG2 3.44Å; Y796-I842 HydrophobicContact CE1-CG2 4.28Å; Y796-I842 HydrophobicContact CE2-CG2 3.74Å; Y796-I842 HydrophobicContact CG-CG2 3.58Å; Y796-Y843 WeakPolarHBondContact CD2-O 3.27Å; Y796-Y843 VanDerWaalsContact CE2-O 3.27Å; Y796-Y843 WeakPolarHBondContact CE2-O 3.31Å; Y796-D844 WeakPolarHBondContact CA-OD2 3.44Å; Y796-D844 HydrophobicContact CD2-CB 4.07Å; Y796-D844 PolarHBondContact N-OD2 2.9Å |
| 797 | G | 84.1 | Confident | 81.2 | Confident | 5 Ų | 5 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | -157.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y832 E833 D844 | G797-Y832 WeakPolarHBondContact CA-OH 3.2Å; G797-Y832 PolarHBondContact N-OH 3.17Å; G797-Y832 VanDerWaalsContact N-OH 3.16Å; G797-E833 CarbonylContact C-O 3.57Å; G797-E833 WeakPolarHBondContact CA-O 3.42Å; G797-D844 PolarHBondContact N-OD2 3.31Å; G797-D844 VanDerWaalsContact N-OD2 3.1Å |
| 798 | F | 89 | Confident | 79.6 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 141.8 | 176.6 | 46.7 | -85.4 | 0 | 0 | 0 | 111.2 | T800 R813 Y832 E833 | F798-T800 HydrophobicContact CD2-CG2 3.67Å; F798-T800 HydrophobicContact CE2-CG2 3.92Å; F798-R813 HydrophobicContact CB-CG 4.18Å; F798-R813 VanDerWaalsContact CB-CZ 3.42Å; F798-R813 VanDerWaalsContact CD1-CZ 3.45Å; F798-R813 VanDerWaalsContact CD1-NH1 3.33Å; F798-R813 HydrophobicContact CD2-CG 3.98Å; F798-R813 HydrophobicContact CG-CG 4.39Å; F798-Y832 CarbonylContact O-C 3.48Å; F798-Y832 WeakPolarHBondContact O-CA 3.08Å; F798-E833 WeakPolarHBondContact CD1-O 2.95Å; F798-E833 HydrophobicContact CD2-CB 4.14Å; F798-E833 HydrophobicContact CE1-CB 4.48Å; F798-E833 HydrophobicContact CE1-CG 4.48Å; F798-E833 HydrophobicContact CE2-CB 3.71Å; F798-E833 HydrophobicContact CE2-CG 3.97Å; F798-E833 HydrophobicContact CZ-CB 3.9Å; F798-E833 HydrophobicContact CZ-CG 3.77Å; F798-E833 WeakPolarHBondContact CZ-OE1 3.49Å; F798-E833 PolarHBondContact N-O 3.46Å; F798-E833 PolarHBondContact O-N 3.44Å |
| 799 | L | 91.8 | Very high | 78 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.6 | 170.9 | -71 | 166.3 | 0 | 0 | 0 | 110.1 | I790 P794 R813 L814 L830 T831 F846 | I790-L799 HydrophobicContact CD1-CD1 3.65Å; I790-L799 HydrophobicContact CG1-CD1 4.48Å; P794-L799 HydrophobicContact CG-CG 4.29Å; L799-R813 WeakPolarHBondContact O-CA 3.39Å; L799-L814 HydrophobicContact CB-CB 4Å; L799-L814 HydrophobicContact CB-CD1 4.42Å; L799-L814 HydrophobicContact CB-CG 4.48Å; L799-L814 PolarHBondContact O-N 2.81Å; L799-L830 HydrophobicContact CB-CD1 4.5Å; L799-L830 HydrophobicContact CD2-CD1 4.22Å; L799-L830 HydrophobicContact CD2-CG 4.37Å; L799-T831 CarbonylContact C-O 3.6Å; L799-F846 HydrophobicContact CD1-CD1 3.75Å; L799-F846 HydrophobicContact CD1-CD2 4.18Å; L799-F846 HydrophobicContact CD1-CE1 3.82Å; L799-F846 HydrophobicContact CD1-CE2 4.26Å; L799-F846 HydrophobicContact CD1-CG 3.92Å; L799-F846 HydrophobicContact CD1-CZ 4.09Å; L799-F846 HydrophobicContact CD2-CE1 4.23Å; L799-F846 HydrophobicContact CG-CD1 4.5Å |
| 800 | T | 90.6 | Very high | 77.1 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.1 | 175.8 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | F798 I811 R812 L830 T831 | F798-T800 HydrophobicContact CD2-CG2 3.67Å; F798-T800 HydrophobicContact CE2-CG2 3.92Å; T800-I811 HydrophobicContact CG2-CG2 4.15Å; T800-R812 CarbonylContact C-O 3.59Å; T800-R812 VanDerWaalsContact CA-O 3.24Å; T800-R812 WeakPolarHBondContact CA-O 2.97Å; T800-L830 WeakPolarHBondContact O-CA 3Å; T800-T831 WeakPolarHBondContact CA-O 3.19Å; T800-T831 PolarHBondContact N-O 3.17Å; T800-T831 PolarHBondContact O-N 2.82Å; T800-T831 PolarHBondContact OG1-O 3.21Å |
| 801 | K | 89.1 | Confident | 76.4 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.9 | 177.8 | 173.5 | 171.6 | 165.3 | 171.5 | 0 | 109.8 | R812 L814 D824 R829 | K801-R812 PolarHBondContact N-O 3.48Å; K801-R812 PolarHBondContact O-N 3.05Å; K801-L814 HydrophobicContact CB-CD1 4.19Å; K801-L814 HydrophobicContact CB-CD2 3.97Å; K801-L814 HydrophobicContact CB-CG 4.23Å; K801-D824 VanDerWaalsContact CE-CG 3.47Å; K801-D824 VanDerWaalsContact CE-OD1 3.26Å; K801-D824 WeakPolarHBondContact CE-OD1 3.41Å; K801-D824 VanDerWaalsContact CE-OD2 3.22Å; K801-D824 WeakPolarHBondContact CE-OD2 3.23Å; K801-D824 VanDerWaalsContact NZ-CG 3.32Å; K801-D824 IonicContact NZ-OD1 2.71Å; K801-D824 PolarHBondContact NZ-OD1 2.88Å; K801-D824 IonicContact NZ-OD2 3.4Å; K801-D824 PolarHBondContact NZ-OD2 3.26Å; K801-R829 CarbonylContact C-O 3.38Å; K801-R829 WeakPolarHBondContact CA-O 3.23Å |
| 802 | T | 85 | Confident | 76.2 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126.2 | 173 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | Q809 R829 | T802-Q809 HydrophobicContact CG2-CB 4.18Å; T802-Q809 HydrophobicContact CG2-CG 4.44Å; T802-R829 PolarHBondContact N-O 3.03Å |
| 803 | I | 73.2 | Confident | 76.2 | Confident | 25 Ų | 25 | 76 Ų | 76 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 102 | -176.1 | -58.7 | -176.4 | 0 | 0 | 0 | 108.5 | R805 R810 R812 | I803-R805 HydrophobicContact CG2-CB 4.29Å; I803-R805 HydrophobicContact CG2-CG 4.37Å; I803-R805 PolarHBondContact O-N 3.26Å; I803-R810 PolarHBondContact N-O 3.44Å; I803-R812 HydrophobicContact CD1-CB 3.7Å; I803-R812 HydrophobicContact CD1-CG 4.46Å; I803-R812 HydrophobicContact CG1-CB 4.4Å |
| 804 | A | 60.3 | Low | 76.4 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | trans | -88.4 | 82.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 805 | R | 56.2 | Low | 76.2 | Confident | 143 Ų | 143 | 75.3 Ų | 75.3 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -133.5 | 2.1 | 179.8 | -86.9 | 133.6 | 170.2 | -138.5 | -9 | 114.3 | I803 D2337 E2338 N2339 | I803-R805 HydrophobicContact CG2-CB 4.29Å; I803-R805 HydrophobicContact CG2-CG 4.37Å; I803-R805 PolarHBondContact O-N 3.26Å; R805-D2337 PolarHBondContact NH1-O 3.3Å; R805-E2338 WeakPolarHBondContact CD-O 3.45Å; R805-E2338 WeakPolarHBondContact CG-O 3.44Å; R805-E2338 VanDerWaalsContact CZ-C 3.44Å; R805-E2338 PolarHBondContact NE-O 3.44Å; R805-E2338 VanDerWaalsContact NH1-C 3.33Å; R805-E2338 PolarHBondContact NH1-O 3.5Å; R805-N2339 WeakPolarHBondContact CG-O 3.32Å; R805-N2339 PolarHBondContact NE-O 3.36Å; R805-N2339 PolarHBondContact NH2-O 3.37Å |
| 806 | S | 53.3 | Low | 76.1 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -151.4 | 162 | -177.2 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | E808 | S806-E808 PolarHBondContact O-N 3.32Å; S806-E808 PolarHBondContact OG-O 2.96Å |
| 807 | P | 57.1 | Low | 76.1 | Confident | 145 Ų | 145 | 74.4 Ų | 74.4 | 94% | 0.942 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -60.1 | -23.1 | 173.6 | 23.6 | -34 | 0 | 0 | 0 | 113.2 | ||
| 808 | E | 56 | Low | 76.3 | Confident | 142 Ų | 142 | 75.3 Ų | 75.3 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -89.4 | 129.7 | 166.4 | -62.1 | -179.7 | 163.6 | 0 | 0 | 110.8 | S806 R810 | S806-E808 PolarHBondContact O-N 3.32Å; S806-E808 PolarHBondContact OG-O 2.96Å; E808-R810 PolarHBondContact O-N 2.76Å |
| 809 | Q | 58.9 | Low | 76.4 | Confident | 148 Ų | 148 | 79.4 Ų | 79.4 | 69% | 0.692 | 40% | 0.398 | S | S | * | . | trans | -77.1 | 102.6 | 173.8 | -69.1 | -173 | 1 | 0 | 0 | 110.9 | T802 | T802-Q809 HydrophobicContact CG2-CB 4.18Å; T802-Q809 HydrophobicContact CG2-CG 4.44Å | ||
| 810 | R | 72.2 | Confident | 76.4 | Confident | 132 Ų | 132 | 79.4 Ų | 79.4 | 50% | 0.498 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.6 | 174.3 | -71.8 | -175 | 173 | -169.2 | -1 | 111.1 | I803 E808 | I803-R810 PolarHBondContact N-O 3.44Å; E808-R810 PolarHBondContact O-N 2.76Å |
| 811 | I | 76.1 | Confident | 76.4 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.4 | 178.1 | -59.7 | 172.5 | 0 | 0 | 0 | 108.7 | T800 | T800-I811 HydrophobicContact CG2-CG2 4.15Å |
| 812 | R | 84.1 | Confident | 76.5 | Confident | 103 Ų | 103 | 78.1 Ų | 78.1 | 39% | 0.389 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.5 | 179.2 | -176.5 | 173.6 | -176.8 | -164.8 | -6.4 | 110.9 | T800 K801 I803 V2335 Q2336 | T800-R812 CarbonylContact C-O 3.59Å; T800-R812 VanDerWaalsContact CA-O 3.24Å; T800-R812 WeakPolarHBondContact CA-O 2.97Å; K801-R812 PolarHBondContact N-O 3.48Å; K801-R812 PolarHBondContact O-N 3.05Å; I803-R812 HydrophobicContact CD1-CB 3.7Å; I803-R812 HydrophobicContact CD1-CG 4.46Å; I803-R812 HydrophobicContact CG1-CB 4.4Å; R812-V2335 PolarHBondContact NE-O 3.21Å; R812-V2335 VanDerWaalsContact NE-O 3.14Å; R812-V2335 PolarHBondContact NH2-O 3.11Å; R812-Q2336 VanDerWaalsContact CD-O 3.25Å; R812-Q2336 WeakPolarHBondContact CD-O 3.4Å; R812-Q2336 PolarHBondContact NE-O 2.74Å; R812-Q2336 PolarHBondContact NH1-O 3.34Å |
| 813 | R | 85.4 | Confident | 76.7 | Confident | 141 Ų | 141 | 77 Ų | 77 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.7 | 171.7 | -174.6 | 171.3 | 175.5 | 149.5 | -1.4 | 110.3 | F798 L799 | F798-R813 HydrophobicContact CB-CG 4.18Å; F798-R813 VanDerWaalsContact CB-CZ 3.42Å; F798-R813 VanDerWaalsContact CD1-CZ 3.45Å; F798-R813 VanDerWaalsContact CD1-NH1 3.33Å; F798-R813 HydrophobicContact CD2-CG 3.98Å; F798-R813 HydrophobicContact CG-CG 4.39Å; L799-R813 WeakPolarHBondContact O-CA 3.39Å |
| 814 | L | 89.6 | Confident | 77.5 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.7 | 176.4 | -52.2 | -173.4 | 0 | 0 | 0 | 109.5 | I790 L799 K801 F820 L830 | I790-L814 HydrophobicContact CD1-CB 3.81Å; I790-L814 HydrophobicContact CD1-CD1 4.35Å; L799-L814 HydrophobicContact CB-CB 4Å; L799-L814 HydrophobicContact CB-CD1 4.42Å; L799-L814 HydrophobicContact CB-CG 4.48Å; L799-L814 PolarHBondContact O-N 2.81Å; K801-L814 HydrophobicContact CB-CD1 4.19Å; K801-L814 HydrophobicContact CB-CD2 3.97Å; K801-L814 HydrophobicContact CB-CG 4.23Å; L814-F820 HydrophobicContact CD1-CB 4.31Å; L814-F820 HydrophobicContact CD1-CD1 3.88Å; L814-F820 HydrophobicContact CD1-CG 4.49Å; L814-L830 HydrophobicContact CD1-CD1 3.55Å |
| 815 | G | 82.4 | Confident | 79 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -118.9 | -159.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I790 S818 | I790-G815 WeakPolarHBondContact CB-O 3.24Å; G815-S818 PolarHBondContact N-OG 2.69Å; G815-S818 WeakPolarHBondContact O-CB 3.19Å; G815-S818 PolarHBondContact O-N 3.08Å; G815-S818 PolarHBondContact O-OG 2.82Å | ||
| 816 | V | 82.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 67 Ų | 67 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 146.1 | 170.8 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | V791 A793 S818 | V791-V816 WeakPolarHBondContact O-CG1 3.49Å; A793-V816 HydrophobicContact CB-CG2 4.17Å; V816-S818 PolarHBondContact O-N 3.26Å |
| 817 | H | 81.7 | Confident | 82.1 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 1.6 | -172.4 | -50.8 | -63.4 | 0 | 0 | 0 | 116.4 | I790 | I790-H817 WeakPolarHBondContact O-CA 3.14Å; I790-H817 PolarHBondContact O-N 2.77Å |
| 818 | S | 88.6 | Confident | 83.5 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -73.2 | 146 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | I790 G815 V816 | I790-S818 PolarHBondContact N-O 3.47Å; G815-S818 PolarHBondContact N-OG 2.69Å; G815-S818 WeakPolarHBondContact O-CB 3.19Å; G815-S818 PolarHBondContact O-N 3.08Å; G815-S818 PolarHBondContact O-OG 2.82Å; V816-S818 PolarHBondContact O-N 3.26Å | ||
| 819 | K | 89.1 | Confident | 85.1 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.5 | -174.8 | -65.3 | -175.6 | 174.8 | -171.3 | 0 | 113.7 | T787 Y788 Q789 | T787-K819 HydrophobicContact CG2-CB 4.08Å; T787-K819 HydrophobicContact CG2-CD 4Å; T787-K819 HydrophobicContact CG2-CG 4.27Å; Y788-K819 VanDerWaalsContact O-CA 3.23Å; Y788-K819 WeakPolarHBondContact O-CA 3.32Å; Q789-K819 HydrophobicContact CB-CG 4.08Å; Q789-K819 HydrophobicContact CG-CG 4.07Å |
| 820 | F | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158 | 170.3 | 60.5 | -92.7 | 0 | 0 | 0 | 109.9 | Y788 I790 L814 D824 I825 L830 F846 | Y788-F820 WeakPolarHBondContact CA-O 3.47Å; Y788-F820 VanDerWaalsContact CB-CZ 3.48Å; Y788-F820 WeakPolarHBondContact CB-O 3.37Å; Y788-F820 AromaticContact CD1-CE2 3.95Å; Y788-F820 HydrophobicContact CD1-CE2 3.95Å; Y788-F820 HydrophobicContact CD1-CZ 4.16Å; Y788-F820 AromaticContact CD2-CD2 3.98Å; Y788-F820 HydrophobicContact CD2-CD2 3.98Å; Y788-F820 AromaticContact CD2-CE2 3.74Å; Y788-F820 HydrophobicContact CD2-CE2 3.74Å; Y788-F820 AromaticContact CG-CD2 3.98Å; Y788-F820 HydrophobicContact CG-CD2 3.98Å; Y788-F820 AromaticContact CG-CE2 3.41Å; Y788-F820 HydrophobicContact CG-CE2 3.41Å; Y788-F820 VanDerWaalsContact CG-CE2 3.41Å; Y788-F820 AromaticContact CG-CZ 3.87Å; Y788-F820 HydrophobicContact CG-CZ 3.87Å; Y788-F820 PolarHBondContact N-O 2.94Å; Y788-F820 PolarHBondContact O-N 3.14Å; I790-F820 HydrophobicContact CD1-CD1 4.49Å; I790-F820 HydrophobicContact CD1-CE1 4.19Å; I790-F820 HydrophobicContact CG1-CD1 4.48Å; I790-F820 HydrophobicContact CG1-CE1 3.93Å; L814-F820 HydrophobicContact CD1-CB 4.31Å; L814-F820 HydrophobicContact CD1-CD1 3.88Å; L814-F820 HydrophobicContact CD1-CG 4.49Å; F820-D824 WeakPolarHBondContact CA-OD2 2.82Å; F820-D824 HydrophobicContact CB-CB 4.3Å; F820-I825 HydrophobicContact CD2-CD1 4.23Å; F820-I825 HydrophobicContact CD2-CG1 4.1Å; F820-I825 HydrophobicContact CE2-CD1 3.87Å; F820-I825 HydrophobicContact CE2-CG1 4.12Å; F820-L830 HydrophobicContact CB-CD1 4.48Å; F820-L830 HydrophobicContact CD1-CD1 4.21Å; F820-L830 HydrophobicContact CD1-CD2 4.27Å; F820-L830 HydrophobicContact CD2-CD2 3.66Å; F820-L830 HydrophobicContact CE1-CD2 4.2Å; F820-L830 HydrophobicContact CE2-CD2 3.57Å; F820-L830 HydrophobicContact CG-CD1 4.22Å; F820-L830 HydrophobicContact CG-CD2 4.02Å; F820-L830 HydrophobicContact CZ-CD2 3.85Å; F820-F846 HydrophobicContact CE1-CE2 4.38Å; F820-F846 HydrophobicContact CZ-CE2 4.07Å; F820-F846 HydrophobicContact CZ-CZ 4.24Å |
| 821 | T | 91.4 | Very high | 87.5 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 164.2 | -177.2 | 65 | 0 | 0 | 0 | 0 | 112.1 | E784 I786 A823 D824 I825 | E784-T821 WeakPolarHBondContact O-CG2 2.98Å; I786-T821 CarbonylContact O-C 3.19Å; I786-T821 WeakPolarHBondContact O-CA 3.18Å; T821-A823 PolarHBondContact O-N 2.72Å; T821-A823 PolarHBondContact OG1-N 2.92Å; T821-D824 PolarHBondContact N-OD2 2.89Å; T821-D824 WeakPolarHBondContact O-CB 3.13Å; T821-D824 PolarHBondContact O-N 2.98Å; T821-D824 PolarHBondContact OG1-N 3.31Å; T821-D824 VanDerWaalsContact OG1-N 3.14Å; T821-D824 PolarHBondContact OG1-OD2 3.12Å; T821-I825 PolarHBondContact O-N 3.45Å |
| 822 | Q | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.3 | -34.2 | 168.2 | -177.1 | 69.9 | 62.4 | 0 | 0 | 110.1 | L772 L773 P783 I786 Y788 D824 I825 D826 | L772-Q822 PolarHBondContact O-NE2 2.83Å; L773-Q822 VanDerWaalsContact CA-OE1 3.3Å; L773-Q822 HydrophobicContact CD1-CG 4.46Å; P783-Q822 HydrophobicContact CB-CB 3.98Å; P783-Q822 HydrophobicContact CB-CG 3.9Å; P783-Q822 CarbonylContact O-C 2.87Å; P783-Q822 WeakPolarHBondContact O-CB 3.33Å; P783-Q822 PolarHBondContact O-N 3.22Å; I786-Q822 HydrophobicContact CB-CB 3.89Å; I786-Q822 HydrophobicContact CG2-CB 4.02Å; I786-Q822 PolarHBondContact O-N 3.06Å; Y788-Q822 HydrophobicContact CE2-CB 4.22Å; Y788-Q822 PolarHBondContact OH-OE1 2.81Å; Q822-D824 VanDerWaalsContact C-N 3.33Å; Q822-D824 PolarHBondContact O-N 2.73Å; Q822-I825 WeakPolarHBondContact O-CB 3.25Å; Q822-I825 PolarHBondContact O-N 2.64Å; Q822-I825 VanDerWaalsContact O-N 3.14Å; Q822-D826 PolarHBondContact NE2-OD1 2.76Å; Q822-D826 WeakPolarHBondContact O-CB 2.77Å; Q822-D826 PolarHBondContact O-N 2.89Å |
| 823 | A | 88.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -28.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P783 E784 T821 I825 R827 | P783-A823 HydrophobicContact CB-CB 4.03Å; P783-A823 WeakPolarHBondContact O-CB 3.19Å; P783-A823 PolarHBondContact O-N 2.77Å; E784-A823 HydrophobicContact CB-CB 4.37Å; E784-A823 HydrophobicContact CG-CB 3.96Å; T821-A823 PolarHBondContact O-N 2.72Å; T821-A823 PolarHBondContact OG1-N 2.92Å; A823-I825 VanDerWaalsContact C-N 3.32Å; A823-R827 WeakPolarHBondContact O-CB 3.2Å; A823-R827 WeakPolarHBondContact O-CD 3.29Å; A823-R827 WeakPolarHBondContact O-CG 3.28Å; A823-R827 PolarHBondContact O-N 2.83Å |
| 824 | D | 91 | Very high | 88.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.4 | -29.3 | 171.7 | -64.8 | -46.4 | 0 | 0 | 0 | 112.1 | K801 F820 T821 Q822 H828 R829 L830 | K801-D824 VanDerWaalsContact CE-CG 3.47Å; K801-D824 VanDerWaalsContact CE-OD1 3.26Å; K801-D824 WeakPolarHBondContact CE-OD1 3.41Å; K801-D824 VanDerWaalsContact CE-OD2 3.22Å; K801-D824 WeakPolarHBondContact CE-OD2 3.23Å; K801-D824 VanDerWaalsContact NZ-CG 3.32Å; K801-D824 IonicContact NZ-OD1 2.71Å; K801-D824 PolarHBondContact NZ-OD1 2.88Å; K801-D824 IonicContact NZ-OD2 3.4Å; K801-D824 PolarHBondContact NZ-OD2 3.26Å; F820-D824 WeakPolarHBondContact CA-OD2 2.82Å; F820-D824 HydrophobicContact CB-CB 4.3Å; T821-D824 PolarHBondContact N-OD2 2.89Å; T821-D824 WeakPolarHBondContact O-CB 3.13Å; T821-D824 PolarHBondContact O-N 2.98Å; T821-D824 PolarHBondContact OG1-N 3.31Å; T821-D824 VanDerWaalsContact OG1-N 3.14Å; T821-D824 PolarHBondContact OG1-OD2 3.12Å; Q822-D824 VanDerWaalsContact C-N 3.33Å; Q822-D824 PolarHBondContact O-N 2.73Å; D824-H828 PolarHBondContact O-N 3.38Å; D824-R829 HydrophobicContact CB-CB 4.24Å; D824-R829 WeakPolarHBondContact O-CB 3.39Å; D824-R829 PolarHBondContact O-N 2.93Å; D824-R829 VanDerWaalsContact OD1-CD 3.3Å; D824-R829 WeakPolarHBondContact OD1-CD 3.36Å; D824-R829 IonicContact OD1-CZ 2.78Å; D824-R829 IonicContact OD1-NE 3.26Å; D824-R829 IonicContact OD1-NH1 2.83Å; D824-R829 PolarHBondContact OD1-NH1 2.94Å; D824-L830 PolarHBondContact O-N 2.75Å |
| 825 | I | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.9 | -50.8 | 173.7 | -54.9 | 170.8 | 0 | 0 | 0 | 109.8 | Q768 L772 Y788 F820 T821 Q822 A823 R827 H828 L830 | Q768-I825 WeakPolarHBondContact O-CG2 3.47Å; L772-I825 HydrophobicContact CB-CD1 4.21Å; L772-I825 HydrophobicContact CD2-CD1 4.21Å; L772-I825 HydrophobicContact CG-CD1 4.2Å; Y788-I825 HydrophobicContact CD2-CD1 4.19Å; Y788-I825 HydrophobicContact CE2-CD1 3.73Å; F820-I825 HydrophobicContact CD2-CD1 4.23Å; F820-I825 HydrophobicContact CD2-CG1 4.1Å; F820-I825 HydrophobicContact CE2-CD1 3.87Å; F820-I825 HydrophobicContact CE2-CG1 4.12Å; T821-I825 PolarHBondContact O-N 3.45Å; Q822-I825 WeakPolarHBondContact O-CB 3.25Å; Q822-I825 PolarHBondContact O-N 2.64Å; Q822-I825 VanDerWaalsContact O-N 3.14Å; A823-I825 VanDerWaalsContact C-N 3.32Å; I825-R827 VanDerWaalsContact C-N 3.31Å; I825-R827 PolarHBondContact O-N 3.1Å; I825-H828 PolarHBondContact O-N 3.33Å; I825-H828 VanDerWaalsContact O-N 3.11Å; I825-H828 PolarHBondContact O-ND1 2.94Å; I825-L830 HydrophobicContact CG1-CD2 4.19Å |
| 826 | D | 86.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -36.4 | -178.9 | -67 | -8.4 | 0 | 0 | 0 | 111.8 | R769 P783 Q822 H828 | R769-D826 VanDerWaalsContact CB-OD1 3.27Å; R769-D826 WeakPolarHBondContact CB-OD1 3.44Å; R769-D826 WeakPolarHBondContact CG-OD1 3.26Å; R769-D826 IonicContact CZ-OD1 3.96Å; R769-D826 IonicContact CZ-OD2 3.21Å; R769-D826 VanDerWaalsContact CZ-OD2 3.26Å; R769-D826 IonicContact NE-OD1 2.64Å; R769-D826 PolarHBondContact NE-OD1 2.78Å; R769-D826 IonicContact NE-OD2 3.22Å; R769-D826 PolarHBondContact NE-OD2 3.32Å; R769-D826 IonicContact NH2-OD1 2.7Å; R769-D826 IonicContact NH2-OD2 3.62Å; R769-D826 PolarHBondContact NH2-OD2 3.49Å; P783-D826 WeakPolarHBondContact CB-OD2 3.19Å; P783-D826 WeakPolarHBondContact CG-OD2 3.5Å; Q822-D826 PolarHBondContact NE2-OD1 2.76Å; Q822-D826 WeakPolarHBondContact O-CB 2.77Å; Q822-D826 PolarHBondContact O-N 2.89Å; D826-H828 VanDerWaalsContact C-N 3.35Å; D826-H828 PolarHBondContact O-CE1 3.2Å; D826-H828 PolarHBondContact O-ND1 2.76Å |
| 827 | R | 88.2 | Confident | 86.2 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 43% | 0.426 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 17.9 | 176 | -57.6 | 169.8 | 170 | 151.9 | -8.4 | 113.7 | E784 A823 I825 R829 | E784-R827 IonicContact OE1-CZ 3.09Å; E784-R827 IonicContact OE1-NH1 2.65Å; E784-R827 PolarHBondContact OE1-NH1 2.91Å; E784-R827 IonicContact OE1-NH2 2.76Å; E784-R827 PolarHBondContact OE1-NH2 3.35Å; E784-R827 IonicContact OE2-CZ 2.69Å; E784-R827 IonicContact OE2-NH1 2.61Å; E784-R827 PolarHBondContact OE2-NH1 2.69Å; E784-R827 IonicContact OE2-NH2 3.6Å; A823-R827 WeakPolarHBondContact O-CB 3.2Å; A823-R827 WeakPolarHBondContact O-CD 3.29Å; A823-R827 WeakPolarHBondContact O-CG 3.28Å; A823-R827 PolarHBondContact O-N 2.83Å; I825-R827 VanDerWaalsContact C-N 3.31Å; I825-R827 PolarHBondContact O-N 3.1Å; R827-R829 VanDerWaalsContact C-N 3.26Å; R827-R829 HydrophobicContact CB-CG 4.32Å; R827-R829 PolarHBondContact O-N 2.79Å; R827-R829 VanDerWaalsContact O-N 3.14Å |
| 828 | H | 87.5 | Confident | 85.3 | Confident | 98 Ų | 98 | 44.4 Ų | 44.4 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 28.9 | 167.5 | -56.9 | -14.2 | 0 | 0 | 0 | 114.8 | V766 D824 I825 D826 | V766-H828 HydrophobicContact CG1-CB 3.81Å; V766-H828 WeakPolarHBondContact CG1-O 3.16Å; D824-H828 PolarHBondContact O-N 3.38Å; I825-H828 PolarHBondContact O-N 3.33Å; I825-H828 VanDerWaalsContact O-N 3.11Å; I825-H828 PolarHBondContact O-ND1 2.94Å; D826-H828 VanDerWaalsContact C-N 3.35Å; D826-H828 PolarHBondContact O-CE1 3.2Å; D826-H828 PolarHBondContact O-ND1 2.76Å |
| 829 | R | 88.4 | Confident | 84 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 28% | 0.275 | 22% | 0.219 | S | C | . | . | trans | -90.1 | -21.5 | -178 | -57.4 | -180 | -173.3 | 153.1 | -5.9 | 113.6 | K801 T802 D824 R827 | K801-R829 CarbonylContact C-O 3.38Å; K801-R829 WeakPolarHBondContact CA-O 3.23Å; T802-R829 PolarHBondContact N-O 3.03Å; D824-R829 HydrophobicContact CB-CB 4.24Å; D824-R829 WeakPolarHBondContact O-CB 3.39Å; D824-R829 PolarHBondContact O-N 2.93Å; D824-R829 VanDerWaalsContact OD1-CD 3.3Å; D824-R829 WeakPolarHBondContact OD1-CD 3.36Å; D824-R829 IonicContact OD1-CZ 2.78Å; D824-R829 IonicContact OD1-NE 3.26Å; D824-R829 IonicContact OD1-NH1 2.83Å; D824-R829 PolarHBondContact OD1-NH1 2.94Å; R827-R829 VanDerWaalsContact C-N 3.26Å; R827-R829 HydrophobicContact CB-CG 4.32Å; R827-R829 PolarHBondContact O-N 2.79Å; R827-R829 VanDerWaalsContact O-N 3.14Å | ||
| 830 | L | 91.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.8 | -178.2 | -175.5 | 66.5 | 0 | 0 | 0 | 110.2 | V766 L767 L799 T800 L814 F820 D824 I825 | V766-L830 CarbonylContact C-O 3.52Å; V766-L830 WeakPolarHBondContact CA-O 3.38Å; V766-L830 WeakPolarHBondContact CG1-O 3.45Å; L767-L830 HydrophobicContact CB-CB 4.3Å; L767-L830 HydrophobicContact CB-CD2 4.02Å; L767-L830 HydrophobicContact CB-CG 4.18Å; L767-L830 HydrophobicContact CD2-CD2 3.66Å; L767-L830 HydrophobicContact CG-CD2 4.47Å; L767-L830 PolarHBondContact N-O 3.22Å; L799-L830 HydrophobicContact CB-CD1 4.5Å; L799-L830 HydrophobicContact CD2-CD1 4.22Å; L799-L830 HydrophobicContact CD2-CG 4.37Å; T800-L830 WeakPolarHBondContact O-CA 3Å; L814-L830 HydrophobicContact CD1-CD1 3.55Å; F820-L830 HydrophobicContact CB-CD1 4.48Å; F820-L830 HydrophobicContact CD1-CD1 4.21Å; F820-L830 HydrophobicContact CD1-CD2 4.27Å; F820-L830 HydrophobicContact CD2-CD2 3.66Å; F820-L830 HydrophobicContact CE1-CD2 4.2Å; F820-L830 HydrophobicContact CE2-CD2 3.57Å; F820-L830 HydrophobicContact CG-CD1 4.22Å; F820-L830 HydrophobicContact CG-CD2 4.02Å; F820-L830 HydrophobicContact CZ-CD2 3.85Å; D824-L830 PolarHBondContact O-N 2.75Å; I825-L830 HydrophobicContact CG1-CD2 4.19Å |
| 831 | T | 89.7 | Confident | 81 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 126.6 | -171.6 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | K764 A765 V766 L799 T800 | K764-T831 HydrophobicContact CD-CG2 4.24Å; K764-T831 HydrophobicContact CG-CG2 3.5Å; A765-T831 CarbonylContact O-C 3.59Å; A765-T831 VanDerWaalsContact O-CA 3.25Å; A765-T831 WeakPolarHBondContact O-CA 3.11Å; A765-T831 WeakPolarHBondContact O-CG2 2.88Å; V766-T831 HydrophobicContact CG2-CG2 4.15Å; L799-T831 CarbonylContact C-O 3.6Å; T800-T831 WeakPolarHBondContact CA-O 3.19Å; T800-T831 PolarHBondContact N-O 3.17Å; T800-T831 PolarHBondContact O-N 2.82Å; T800-T831 PolarHBondContact OG1-O 3.21Å |
| 832 | Y | 92.3 | Very high | 79.9 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 145.8 | 171.9 | 173.3 | -80.1 | 0 | 0 | 0 | 110.3 | M759 K764 A765 P794 G797 F798 L834 D844 I864 | M759-Y832 HydrophobicContact CE-CD1 3.76Å; M759-Y832 HydrophobicContact CE-CE1 4.27Å; M759-Y832 HydrophobicContact SD-CD1 3.28Å; M759-Y832 WeakPolarHBondContact SD-CD1 3.37Å; M759-Y832 HydrophobicContact SD-CE1 3.87Å; M759-Y832 HydrophobicContact SD-CG 4.08Å; K764-Y832 CarbonylContact C-O 3.59Å; K764-Y832 VanDerWaalsContact CA-O 3.27Å; K764-Y832 WeakPolarHBondContact CA-O 3.44Å; A765-Y832 PolarHBondContact N-O 3.32Å; A765-Y832 PolarHBondContact O-N 3.36Å; P794-Y832 HydrophobicContact CB-CD2 4.39Å; P794-Y832 HydrophobicContact CB-CE2 3.72Å; P794-Y832 HydrophobicContact CG-CD2 4.1Å; P794-Y832 HydrophobicContact CG-CE2 3.93Å; G797-Y832 WeakPolarHBondContact CA-OH 3.2Å; G797-Y832 PolarHBondContact N-OH 3.17Å; G797-Y832 VanDerWaalsContact N-OH 3.16Å; F798-Y832 CarbonylContact O-C 3.48Å; F798-Y832 WeakPolarHBondContact O-CA 3.08Å; Y832-L834 HydrophobicContact CD1-CD1 4.31Å; Y832-L834 HydrophobicContact CE1-CD1 3.69Å; Y832-L834 HydrophobicContact CE1-CG 3.89Å; Y832-D844 WeakPolarHBondContact OH-CB 3.11Å; Y832-D844 PolarHBondContact OH-OD2 3.49Å; Y832-I864 HydrophobicContact CD1-CG2 4.29Å; Y832-I864 HydrophobicContact CD2-CD1 3.34Å; Y832-I864 HydrophobicContact CD2-CG2 4.38Å; Y832-I864 HydrophobicContact CE1-CG2 4.03Å; Y832-I864 HydrophobicContact CE2-CD1 3.6Å; Y832-I864 HydrophobicContact CE2-CG2 4.15Å; Y832-I864 HydrophobicContact CG-CD1 4.01Å; Y832-I864 HydrophobicContact CG-CG2 4.41Å |
| 833 | E | 88.7 | Confident | 79.3 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.8 | -178.4 | -172.1 | 176.8 | 135.8 | 0 | 0 | 111.4 | R763 K764 G797 F798 | R763-E833 CarbonylContact O-C 3.54Å; R763-E833 VanDerWaalsContact O-CA 3.28Å; R763-E833 WeakPolarHBondContact O-CA 3.18Å; K764-E833 HydrophobicContact CB-CB 4.48Å; K764-E833 HydrophobicContact CB-CG 4.21Å; K764-E833 HydrophobicContact CD-CG 4.32Å; K764-E833 WeakPolarHBondContact CD-OE2 3.4Å; K764-E833 VanDerWaalsContact CE-OE2 3.24Å; K764-E833 WeakPolarHBondContact CE-OE2 3.08Å; K764-E833 HydrophobicContact CG-CB 4.24Å; K764-E833 HydrophobicContact CG-CG 4.28Å; K764-E833 IonicContact NZ-OE2 2.68Å; K764-E833 PolarHBondContact NZ-OE2 2.76Å; G797-E833 CarbonylContact C-O 3.57Å; G797-E833 WeakPolarHBondContact CA-O 3.42Å; F798-E833 WeakPolarHBondContact CD1-O 2.95Å; F798-E833 HydrophobicContact CD2-CB 4.14Å; F798-E833 HydrophobicContact CE1-CB 4.48Å; F798-E833 HydrophobicContact CE1-CG 4.48Å; F798-E833 HydrophobicContact CE2-CB 3.71Å; F798-E833 HydrophobicContact CE2-CG 3.97Å; F798-E833 HydrophobicContact CZ-CB 3.9Å; F798-E833 HydrophobicContact CZ-CG 3.77Å; F798-E833 WeakPolarHBondContact CZ-OE1 3.49Å; F798-E833 PolarHBondContact N-O 3.46Å; F798-E833 PolarHBondContact O-N 3.44Å |
| 834 | L | 82.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 134.3 | -179.6 | -80.1 | 95.5 | 0 | 0 | 0 | 112.5 | M759 R763 Y832 H836 I842 Y866 | M759-L834 HydrophobicContact CE-CD1 3.65Å; R763-L834 PolarHBondContact NH2-O 2.82Å; R763-L834 PolarHBondContact O-N 2.88Å; Y832-L834 HydrophobicContact CD1-CD1 4.31Å; Y832-L834 HydrophobicContact CE1-CD1 3.69Å; Y832-L834 HydrophobicContact CE1-CG 3.89Å; L834-H836 VanDerWaalsContact C-N 3.31Å; L834-H836 PolarHBondContact O-N 2.83Å; L834-I842 HydrophobicContact CD2-CD1 3.56Å; L834-Y866 HydrophobicContact CD1-CD2 3.5Å; L834-Y866 HydrophobicContact CD1-CE2 4.15Å; L834-Y866 HydrophobicContact CD1-CG 3.97Å; L834-Y866 HydrophobicContact CD2-CD1 3.84Å; L834-Y866 HydrophobicContact CD2-CD2 3.77Å; L834-Y866 HydrophobicContact CD2-CE1 4.31Å; L834-Y866 HydrophobicContact CD2-CE2 4.24Å; L834-Y866 HydrophobicContact CD2-CG 3.52Å; L834-Y866 HydrophobicContact CG-CD2 4.3Å; L834-Y866 HydrophobicContact CG-CG 4.41Å |
| 835 | R | 78 | Confident | 79.2 | Confident | 160 Ų | 160 | 55 Ų | 55 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -61.1 | -35.6 | -177.3 | -165.6 | 176.4 | -176.1 | 162.7 | 0.8 | 113.5 | Y796 | Y796-R835 VanDerWaalsContact O-CB 3.26Å; Y796-R835 WeakPolarHBondContact O-CB 3.28Å; Y796-R835 PolarHBondContact O-N 2.76Å; Y796-R835 VanDerWaalsContact O-N 3.11Å |
| 836 | H | 67.9 | Low | 79.3 | Confident | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -134.1 | 169.3 | 177.8 | -51.5 | 115.1 | 0 | 0 | 0 | 110.9 | R763 L834 | R763-H836 PolarHBondContact NE-O 3.06Å; L834-H836 VanDerWaalsContact C-N 3.31Å; L834-H836 PolarHBondContact O-N 2.83Å |
| 837 | S | 64.7 | Low | 79.5 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | trans | -78.8 | 126.3 | 164.2 | -58.7 | 0 | 0 | 0 | 0 | 108.6 | R763 | R763-S837 WeakPolarHBondContact CD-OG 3.43Å; R763-S837 PolarHBondContact NH1-OG 2.83Å | ||
| 838 | H | 61.9 | Low | 79.7 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | trans | -114.6 | 140.9 | 172.1 | -67.8 | -110.4 | 0 | 0 | 0 | 109.6 | I842 Y866 | H838-I842 HydrophobicContact CB-CD1 3.67Å; H838-I842 HydrophobicContact CB-CG1 4.16Å; H838-I842 VanDerWaalsContact CD2-CD1 3.45Å; H838-I842 WeakPolarHBondContact CD2-CD1 2.81Å; H838-Y866 HydrophobicContact CB-CD1 4.48Å; H838-Y866 HydrophobicContact CB-CE1 3.93Å; H838-Y866 WeakPolarHBondContact O-CE1 3.19Å; H838-Y866 PolarHBondContact O-OH 3.23Å | ||
| 839 | Y | 61.8 | Low | 79.8 | Confident | 125 Ų | 125 | 46.1 Ų | 46.1 | 49% | 0.49 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -100.4 | 11.8 | 179.5 | -54.7 | -79.9 | 0 | 0 | 0 | 112.4 | ||
| 840 | S | 53.9 | Low | 79.8 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 49% | 0.49 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -128.4 | 170.2 | 174.7 | 66.2 | 0 | 0 | 0 | 0 | 110.3 | P868 | S840-P868 WeakPolarHBondContact O-CD 2.65Š|
| 841 | I | 64.2 | Low | 79.3 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | trans | -66.8 | 151.7 | 169.7 | -59.8 | -178.7 | 0 | 0 | 0 | 109.9 | Y843 Y866 I867 | I841-Y843 HydrophobicContact CG2-CE1 4.08Å; I841-Y843 HydrophobicContact CG2-CE2 4.04Å; I841-Y866 CarbonylContact C-O 3.43Å; I841-Y866 VanDerWaalsContact CA-O 3.26Å; I841-Y866 WeakPolarHBondContact CA-O 3.4Å; I841-Y866 WeakPolarHBondContact CG2-O 3.23Å; I841-I867 HydrophobicContact CD1-CG2 4.22Å; I841-I867 HydrophobicContact CG1-CG1 4.41Å; I841-I867 HydrophobicContact CG1-CG2 4.05Å; I841-I867 HydrophobicContact CG2-CG1 4.5Å | ||
| 842 | I | 68.1 | Low | 78.6 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.7 | 171.9 | -41 | 169.9 | 0 | 0 | 0 | 109.9 | Y796 L834 H838 A865 Y866 | Y796-I842 HydrophobicContact CD1-CG2 4.01Å; Y796-I842 HydrophobicContact CD2-CG2 3.44Å; Y796-I842 VanDerWaalsContact CD2-CG2 3.44Å; Y796-I842 HydrophobicContact CE1-CG2 4.28Å; Y796-I842 HydrophobicContact CE2-CG2 3.74Å; Y796-I842 HydrophobicContact CG-CG2 3.58Å; L834-I842 HydrophobicContact CD2-CD1 3.56Å; H838-I842 HydrophobicContact CB-CD1 3.67Å; H838-I842 HydrophobicContact CB-CG1 4.16Å; H838-I842 VanDerWaalsContact CD2-CD1 3.45Å; H838-I842 WeakPolarHBondContact CD2-CD1 2.81Å; I842-A865 CarbonylContact O-C 3.57Å; I842-A865 WeakPolarHBondContact O-CA 2.87Å; I842-Y866 HydrophobicContact CD1-CD1 3.96Å; I842-Y866 HydrophobicContact CG1-CD1 3.99Å; I842-Y866 PolarHBondContact N-O 3.32Å; I842-Y866 PolarHBondContact O-N 2.87Å |
| 843 | Y | 80 | Confident | 77.4 | Confident | 47 Ų | 47 | 47 Ų | 47 | 18% | 0.184 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.1 | 167.8 | -55.3 | -65.2 | 0 | 0 | 0 | 111.2 | Y796 I841 A865 N2116 E2117 | Y796-Y843 WeakPolarHBondContact CD2-O 3.27Å; Y796-Y843 VanDerWaalsContact CE2-O 3.27Å; Y796-Y843 WeakPolarHBondContact CE2-O 3.31Å; I841-Y843 HydrophobicContact CG2-CE1 4.08Å; I841-Y843 HydrophobicContact CG2-CE2 4.04Å; Y843-A865 HydrophobicContact CD1-CB 3.68Å; Y843-A865 HydrophobicContact CE1-CB 3.84Å; Y843-N2116 HydrophobicContact CD1-CB 3.67Å; Y843-N2116 WeakPolarHBondContact CD1-ND2 2.94Å; Y843-N2116 WeakPolarHBondContact CD1-OD1 3.49Å; Y843-N2116 HydrophobicContact CE1-CB 3.73Å; Y843-N2116 WeakPolarHBondContact CE1-OD1 3.08Å; Y843-N2116 HydrophobicContact CG-CB 4.18Å; Y843-E2117 HydrophobicContact CE2-CB 4.29Å; Y843-E2117 HydrophobicContact CE2-CG 3.81Å; Y843-E2117 WeakPolarHBondContact CE2-OE2 3.36Å |
| 844 | D | 85.9 | Confident | 76.3 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.4 | -179.6 | -158.4 | -6.4 | 0 | 0 | 0 | 110 | P794 L795 Y796 G797 Y832 I864 | P794-D844 WeakPolarHBondContact CB-OD2 3.47Å; L795-D844 VanDerWaalsContact N-CG 3.33Å; L795-D844 PolarHBondContact N-OD1 3.37Å; L795-D844 PolarHBondContact N-OD2 3.04Å; Y796-D844 WeakPolarHBondContact CA-OD2 3.44Å; Y796-D844 HydrophobicContact CD2-CB 4.07Å; Y796-D844 PolarHBondContact N-OD2 2.9Å; G797-D844 PolarHBondContact N-OD2 3.31Å; G797-D844 VanDerWaalsContact N-OD2 3.1Å; Y832-D844 WeakPolarHBondContact OH-CB 3.11Å; Y832-D844 PolarHBondContact OH-OD2 3.49Å; D844-I864 HydrophobicContact CB-CB 4.37Å; D844-I864 PolarHBondContact N-O 3.1Å; D844-I864 PolarHBondContact O-N 2.75Å |
| 845 | H | 90.8 | Very high | 75.4 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 158.4 | 176.9 | 67.6 | -87.3 | 0 | 0 | 0 | 112.8 | P794 F862 F863 | P794-H845 WeakPolarHBondContact CA-O 3.26Å; H845-F862 CarbonylContact C-O 3.54Å; H845-F862 WeakPolarHBondContact CA-O 3.03Å; H845-F862 VanDerWaalsContact CB-O 3.29Å; H845-F862 WeakPolarHBondContact CB-O 2.7Å; H845-F863 HydrophobicContact CB-CD1 4.25Å |
| 846 | F | 92.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 160 | 166.2 | 68.1 | -91.8 | 0 | 0 | 0 | 111.3 | R792 P794 L799 F820 F848 R861 F862 I864 | R792-F846 CarbonylContact O-C 3.54Å; R792-F846 VanDerWaalsContact O-CA 3.29Å; R792-F846 WeakPolarHBondContact O-CA 3.44Å; R792-F846 VanDerWaalsContact O-CB 3.24Å; R792-F846 WeakPolarHBondContact O-CB 3.11Å; P794-F846 HydrophobicContact CG-CB 4.15Å; L799-F846 HydrophobicContact CD1-CD1 3.75Å; L799-F846 HydrophobicContact CD1-CD2 4.18Å; L799-F846 HydrophobicContact CD1-CE1 3.82Å; L799-F846 HydrophobicContact CD1-CE2 4.26Å; L799-F846 HydrophobicContact CD1-CG 3.92Å; L799-F846 HydrophobicContact CD1-CZ 4.09Å; L799-F846 HydrophobicContact CD2-CE1 4.23Å; L799-F846 HydrophobicContact CG-CD1 4.5Å; F820-F846 HydrophobicContact CE1-CE2 4.38Å; F820-F846 HydrophobicContact CZ-CE2 4.07Å; F820-F846 HydrophobicContact CZ-CZ 4.24Å; F846-F848 HydrophobicContact CD2-CB 4.43Å; F846-F848 HydrophobicContact CD2-CD1 4.29Å; F846-F848 HydrophobicContact CE2-CB 4.3Å; F846-F848 AromaticContact CE2-CD1 3.9Å; F846-F848 HydrophobicContact CE2-CD1 3.9Å; F846-F848 HydrophobicContact CE2-CG 4.43Å; F846-R861 WeakPolarHBondContact O-CA 3.44Å; F846-F862 HydrophobicContact CD1-CB 4.13Å; F846-F862 AromaticContact CD1-CD1 3.97Å; F846-F862 HydrophobicContact CD1-CD1 3.97Å; F846-F862 HydrophobicContact CD1-CG 4.48Å; F846-F862 HydrophobicContact CD2-CB 4.3Å; F846-F862 HydrophobicContact CE1-CB 3.82Å; F846-F862 AromaticContact CE1-CD1 3.26Å; F846-F862 HydrophobicContact CE1-CD1 3.26Å; F846-F862 HydrophobicContact CE1-CE1 4.14Å; F846-F862 AromaticContact CE1-CG 3.79Å; F846-F862 HydrophobicContact CE1-CG 3.79Å; F846-F862 HydrophobicContact CE2-CB 3.98Å; F846-F862 HydrophobicContact CG-CB 4.37Å; F846-F862 HydrophobicContact CZ-CB 3.73Å; F846-F862 AromaticContact CZ-CD1 3.72Å; F846-F862 HydrophobicContact CZ-CD1 3.72Å; F846-F862 AromaticContact CZ-CG 3.8Å; F846-F862 HydrophobicContact CZ-CG 3.8Å; F846-F862 PolarHBondContact N-O 2.89Å; F846-F862 PolarHBondContact O-N 2.73Å; F846-I864 HydrophobicContact CD1-CD1 4.01Å; F846-I864 HydrophobicContact CE1-CD1 4.23Å |
| 847 | Q | 90.7 | Very high | 75.5 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 147.1 | 170.3 | -70.2 | 177.9 | -81.9 | 0 | 0 | 110.5 | I790 V791 R792 C860 R861 | I790-Q847 CarbonylContact C-O 3.55Å; I790-Q847 WeakPolarHBondContact CA-O 3.05Å; V791-Q847 HydrophobicContact CB-CB 4.11Å; V791-Q847 PolarHBondContact N-O 2.86Å; R792-Q847 HydrophobicContact CB-CB 3.86Å; R792-Q847 HydrophobicContact CB-CG 4.19Å; R792-Q847 PolarHBondContact N-O 3.17Å; R792-Q847 PolarHBondContact O-N 2.93Å; Q847-C860 CarbonylContact C-O 3.52Å; Q847-C860 WeakPolarHBondContact CA-O 3.4Å; Q847-C860 WeakPolarHBondContact CB-O 3.37Å; Q847-R861 HydrophobicContact CG-CG 3.7Å |
| 848 | F | 92.3 | Very high | 76 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.1 | 178.7 | 68.3 | -87.6 | 0 | 0 | 0 | 112.2 | I751 L772 Y788 Q789 F846 L850 P859 C860 F862 | I751-F848 HydrophobicContact CD1-CE2 3.85Å; I751-F848 HydrophobicContact CD1-CZ 3.88Å; L772-F848 HydrophobicContact CD1-CE1 4.4Å; L772-F848 HydrophobicContact CD1-CZ 3.96Å; L772-F848 HydrophobicContact CD2-CE1 4.42Å; L772-F848 HydrophobicContact CD2-CZ 4.46Å; Y788-F848 AromaticContact CD1-CD2 3.52Å; Y788-F848 HydrophobicContact CD1-CD2 3.52Å; Y788-F848 AromaticContact CD1-CE2 3.65Å; Y788-F848 HydrophobicContact CD1-CE2 3.65Å; Y788-F848 HydrophobicContact CD1-CG 4.16Å; Y788-F848 HydrophobicContact CD1-CZ 4.4Å; Y788-F848 HydrophobicContact CE1-CD2 4.07Å; Y788-F848 AromaticContact CE1-CE2 3.69Å; Y788-F848 HydrophobicContact CE1-CE2 3.69Å; Y788-F848 HydrophobicContact CE1-CZ 4.22Å; Q789-F848 CarbonylContact O-C 3.51Å; Q789-F848 WeakPolarHBondContact O-CA 3.19Å; Q789-F848 WeakPolarHBondContact O-CB 3.38Å; F846-F848 HydrophobicContact CD2-CB 4.43Å; F846-F848 HydrophobicContact CD2-CD1 4.29Å; F846-F848 HydrophobicContact CE2-CB 4.3Å; F846-F848 AromaticContact CE2-CD1 3.9Å; F846-F848 HydrophobicContact CE2-CD1 3.9Å; F846-F848 HydrophobicContact CE2-CG 4.43Å; F848-L850 HydrophobicContact CE2-CB 4.45Å; F848-P859 CarbonylContact O-C 3.37Å; F848-P859 WeakPolarHBondContact O-CA 2.85Å; F848-C860 HydrophobicContact CD1-CB 4.39Å; F848-C860 HydrophobicContact CE1-CB 3.82Å; F848-C860 HydrophobicContact CE2-CB 4.01Å; F848-C860 HydrophobicContact CZ-CB 3.62Å; F848-C860 PolarHBondContact N-O 2.92Å; F848-C860 PolarHBondContact O-N 2.73Å; F848-F862 HydrophobicContact CD1-CB 4.23Å; F848-F862 HydrophobicContact CE1-CB 3.99Å |
| 849 | T | 90.4 | Very high | 76.9 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 158.4 | 157.6 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | Y788 Q789 V791 T857 P859 | Y788-T849 WeakPolarHBondContact CA-O 3.4Å; Q789-T849 PolarHBondContact N-O 2.85Å; Q789-T849 PolarHBondContact O-N 2.67Å; V791-T849 HydrophobicContact CG2-CG2 3.95Å; T849-T857 WeakPolarHBondContact CG2-O 3.23Å; T849-P859 HydrophobicContact CG2-CB 4.16Å; T849-P859 HydrophobicContact CG2-CG 3.84Å |
| 850 | L | 87.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.1 | -177.8 | -168.7 | 156.8 | 0 | 0 | 0 | 110 | V749 I751 A774 I786 T787 Y788 F848 I856 T857 | V749-L850 HydrophobicContact CB-CD2 4.28Å; V749-L850 HydrophobicContact CG1-CD2 3.88Å; V749-L850 HydrophobicContact CG2-CD2 3.39Å; I751-L850 HydrophobicContact CG1-CD1 4.23Å; A774-L850 HydrophobicContact CB-CD1 3.31Å; A774-L850 HydrophobicContact CB-CD2 4.39Å; A774-L850 HydrophobicContact CB-CG 4.49Å; I786-L850 HydrophobicContact CG2-CD1 4.37Å; I786-L850 HydrophobicContact CG2-CD2 4.03Å; I786-L850 HydrophobicContact CG2-CG 4.38Å; T787-L850 CarbonylContact O-C 3.54Å; T787-L850 WeakPolarHBondContact O-CA 3.46Å; Y788-L850 HydrophobicContact CD1-CD1 4.02Å; Y788-L850 HydrophobicContact CD1-CG 4.46Å; Y788-L850 HydrophobicContact CE1-CD1 3.46Å; Y788-L850 VanDerWaalsContact CE1-CD1 3.46Å; Y788-L850 HydrophobicContact CE1-CG 4.36Å; Y788-L850 HydrophobicContact CE2-CD1 4.13Å; F848-L850 HydrophobicContact CE2-CB 4.45Å; L850-I856 CarbonylContact O-C 3.49Å; L850-I856 VanDerWaalsContact O-CA 3.27Å; L850-I856 WeakPolarHBondContact O-CA 3.28Å; L850-T857 HydrophobicContact CB-CG2 3.87Å; L850-T857 HydrophobicContact CD2-CG2 4.46Å; L850-T857 PolarHBondContact N-OG1 3.16Å; L850-T857 PolarHBondContact O-N 2.95Å |
| 851 | T | 82.4 | Confident | 79.4 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.6 | -173.5 | 27.9 | 0 | 0 | 0 | 0 | 109.3 | T787 S855 I856 | T787-T851 WeakPolarHBondContact CB-OG1 2.69Å; T787-T851 PolarHBondContact N-O 3.48Å; T787-T851 PolarHBondContact O-N 3.45Å; T787-T851 PolarHBondContact O-OG1 2.8Å; T851-S855 CarbonylContact C-O 3.49Å; T851-S855 VanDerWaalsContact CA-O 3.28Å; T851-S855 WeakPolarHBondContact CA-O 3.14Å; T851-I856 HydrophobicContact CG2-CB 4.48Å; T851-I856 HydrophobicContact CG2-CD1 3.93Å; T851-I856 HydrophobicContact CG2-CG1 3.83Å; T851-I856 HydrophobicContact CG2-CG2 4.24Å |
| 852 | A | 74.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 112 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V749 T776 I781 I786 D854 S855 | V749-A852 HydrophobicContact CB-CB 4.26Å; V749-A852 HydrophobicContact CG2-CB 3.95Å; T776-A852 HydrophobicContact CG2-CB 3.93Å; I781-A852 HydrophobicContact CD1-CB 4.46Å; I786-A852 HydrophobicContact CG1-CB 4.29Å; A852-D854 PolarHBondContact O-N 2.89Å; A852-S855 PolarHBondContact N-O 2.6Å; A852-S855 PolarHBondContact O-N 3.33Å; A852-S855 PolarHBondContact O-OG 3.16Å |
| 853 | L | 66.9 | Low | 81.6 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | -97.7 | -159.7 | -65.6 | 177.1 | 0 | 0 | 0 | 111.3 | K747 I781 | K747-L853 HydrophobicContact CD-CD1 4.15Å; I781-L853 HydrophobicContact CD1-CB 4.5Å; I781-L853 HydrophobicContact CD1-CD1 3.84Å; I781-L853 HydrophobicContact CD1-CG 3.9Å |
| 854 | D | 64.9 | Low | 82 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -12.2 | -177.4 | -64.8 | -13.5 | 0 | 0 | 0 | 113.2 | K645 Y718 A852 | K645-D854 IonicContact NZ-OD2 2.75Å; K645-D854 PolarHBondContact NZ-OD2 3.22Å; Y718-D854 WeakPolarHBondContact CE2-OD2 2.72Å; Y718-D854 PolarHBondContact OH-OD2 3.15Å; A852-D854 PolarHBondContact O-N 2.89Å |
| 855 | S | 64.6 | Low | 81.7 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.1 | -175.6 | -33.5 | 0 | 0 | 0 | 0 | 112.6 | K747 T851 A852 | K747-S855 PolarHBondContact O-OG 2.84Å; T851-S855 CarbonylContact C-O 3.49Å; T851-S855 VanDerWaalsContact CA-O 3.28Å; T851-S855 WeakPolarHBondContact CA-O 3.14Å; A852-S855 PolarHBondContact N-O 2.6Å; A852-S855 PolarHBondContact O-N 3.33Å; A852-S855 PolarHBondContact O-OG 3.16Å |
| 856 | I | 73.2 | Confident | 81.2 | Confident | 125 Ų | 125 | 41.6 Ų | 41.6 | 64% | 0.641 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.2 | 175.3 | -47.1 | -165.7 | 0 | 0 | 0 | 112 | L850 T851 | L850-I856 CarbonylContact O-C 3.49Å; L850-I856 VanDerWaalsContact O-CA 3.27Å; L850-I856 WeakPolarHBondContact O-CA 3.28Å; T851-I856 HydrophobicContact CG2-CB 4.48Å; T851-I856 HydrophobicContact CG2-CD1 3.93Å; T851-I856 HydrophobicContact CG2-CG1 3.83Å; T851-I856 HydrophobicContact CG2-CG2 4.24Å |
| 857 | T | 74.1 | Confident | 80.3 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 22% | 0.223 | C | C | . | . | trans | -89.4 | 159.5 | 174.2 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | V749 T849 L850 | V749-T857 HydrophobicContact CG1-CG2 3.81Å; T849-T857 WeakPolarHBondContact CG2-O 3.23Å; L850-T857 HydrophobicContact CB-CG2 3.87Å; L850-T857 HydrophobicContact CD2-CG2 4.46Å; L850-T857 PolarHBondContact N-OG1 3.16Å; L850-T857 PolarHBondContact O-N 2.95Å | ||
| 858 | T | 74.7 | Confident | 79.2 | Confident | 114 Ų | 114 | 41.3 Ų | 41.3 | 70% | 0.699 | 22% | 0.221 | S | C | * | . | trans | -65.5 | 165 | 163.9 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | C860 | T858-C860 PolarHBondContact O-N 2.82Š| ||
| 859 | P | 82.8 | Confident | 77.6 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | trans | -72.1 | 108.3 | -176.4 | -20.1 | 33.8 | 0 | 0 | 0 | 114 | V791 F848 T849 | V791-P859 HydrophobicContact CG2-CB 4.37Å; F848-P859 CarbonylContact O-C 3.37Å; F848-P859 WeakPolarHBondContact O-CA 2.85Å; T849-P859 HydrophobicContact CG2-CB 4.16Å; T849-P859 HydrophobicContact CG2-CG 3.84Å | ||
| 860 | C | 79.7 | Confident | 75.8 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 159.3 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 112 | I751 Q847 F848 T858 | I751-C860 HydrophobicContact CD1-CB 4.26Å; I751-C860 VanDerWaalsContact CD1-SG 3.52Å; Q847-C860 CarbonylContact C-O 3.52Å; Q847-C860 WeakPolarHBondContact CA-O 3.4Å; Q847-C860 WeakPolarHBondContact CB-O 3.37Å; F848-C860 HydrophobicContact CD1-CB 4.39Å; F848-C860 HydrophobicContact CE1-CB 3.82Å; F848-C860 HydrophobicContact CE2-CB 4.01Å; F848-C860 HydrophobicContact CZ-CB 3.62Å; F848-C860 PolarHBondContact N-O 2.92Å; F848-C860 PolarHBondContact O-N 2.73Å; T858-C860 PolarHBondContact O-N 2.82Å |
| 861 | R | 87.6 | Confident | 74.2 | Confident | 143 Ų | 143 | 50.3 Ų | 50.3 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 148.4 | 169.3 | -74.8 | -179.7 | -168.9 | 171.3 | 7.6 | 111 | F846 Q847 F863 | F846-R861 WeakPolarHBondContact O-CA 3.44Å; Q847-R861 HydrophobicContact CG-CG 3.7Å; R861-F863 HydrophobicContact CB-CE2 4.3Å |
| 862 | F | 90.3 | Very high | 72.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.3 | 170.3 | -171.4 | -88.4 | 0 | 0 | 0 | 110.1 | V755 F757 L767 H771 L772 H845 F846 F848 I864 | V755-F862 WeakPolarHBondContact O-CE2 3.09Å; V755-F862 WeakPolarHBondContact O-CZ 3.34Å; F757-F862 HydrophobicContact CB-CE1 3.6Å; F757-F862 HydrophobicContact CB-CZ 3.85Å; L767-F862 HydrophobicContact CD1-CE1 3.74Å; L767-F862 HydrophobicContact CD1-CZ 3.85Å; L767-F862 HydrophobicContact CD2-CE1 4.43Å; L767-F862 HydrophobicContact CD2-CZ 4.44Å; H771-F862 HydrophobicContact CB-CE2 4.43Å; H771-F862 HydrophobicContact CB-CZ 4.01Å; L772-F862 HydrophobicContact CB-CD2 4.41Å; L772-F862 HydrophobicContact CB-CE2 4.02Å; L772-F862 HydrophobicContact CD1-CD2 4.13Å; L772-F862 HydrophobicContact CD1-CE2 4.43Å; L772-F862 HydrophobicContact CD2-CD2 4.09Å; L772-F862 HydrophobicContact CD2-CE2 4.46Å; L772-F862 HydrophobicContact CG-CD2 4.45Å; H845-F862 CarbonylContact C-O 3.54Å; H845-F862 WeakPolarHBondContact CA-O 3.03Å; H845-F862 VanDerWaalsContact CB-O 3.29Å; H845-F862 WeakPolarHBondContact CB-O 2.7Å; F846-F862 HydrophobicContact CD1-CB 4.13Å; F846-F862 AromaticContact CD1-CD1 3.97Å; F846-F862 HydrophobicContact CD1-CD1 3.97Å; F846-F862 HydrophobicContact CD1-CG 4.48Å; F846-F862 HydrophobicContact CD2-CB 4.3Å; F846-F862 HydrophobicContact CE1-CB 3.82Å; F846-F862 AromaticContact CE1-CD1 3.26Å; F846-F862 HydrophobicContact CE1-CD1 3.26Å; F846-F862 HydrophobicContact CE1-CE1 4.14Å; F846-F862 AromaticContact CE1-CG 3.79Å; F846-F862 HydrophobicContact CE1-CG 3.79Å; F846-F862 HydrophobicContact CE2-CB 3.98Å; F846-F862 HydrophobicContact CG-CB 4.37Å; F846-F862 HydrophobicContact CZ-CB 3.73Å; F846-F862 AromaticContact CZ-CD1 3.72Å; F846-F862 HydrophobicContact CZ-CD1 3.72Å; F846-F862 AromaticContact CZ-CG 3.8Å; F846-F862 HydrophobicContact CZ-CG 3.8Å; F846-F862 PolarHBondContact N-O 2.89Å; F846-F862 PolarHBondContact O-N 2.73Å; F848-F862 HydrophobicContact CD1-CB 4.23Å; F848-F862 HydrophobicContact CE1-CB 3.99Å; F862-I864 HydrophobicContact CD1-CG1 4.22Å; F862-I864 HydrophobicContact CE1-CG1 4.22Å |
| 863 | F | 87.5 | Confident | 72.1 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 148.1 | -172.5 | -67.4 | -93.3 | 0 | 0 | 0 | 112.7 | P756 F757 H845 R861 | P756-F863 HydrophobicContact CB-CB 4.18Å; P756-F863 HydrophobicContact CG-CB 4.41Å; F757-F863 PolarHBondContact N-O 2.85Å; H845-F863 HydrophobicContact CB-CD1 4.25Å; R861-F863 HydrophobicContact CB-CE2 4.3Å |
| 864 | I | 88.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146 | -178.6 | -55.5 | -177.2 | 0 | 0 | 0 | 108.4 | F757 M759 Y832 D844 F846 F862 | F757-I864 HydrophobicContact CB-CG1 4.39Å; F757-I864 HydrophobicContact CD1-CG1 4.4Å; F757-I864 HydrophobicContact CD1-CG2 4.24Å; F757-I864 CarbonylContact O-C 3.42Å; F757-I864 VanDerWaalsContact O-CA 3.3Å; F757-I864 WeakPolarHBondContact O-CA 3.46Å; F757-I864 WeakPolarHBondContact O-CG2 2.96Å; M759-I864 HydrophobicContact SD-CG2 4.37Å; Y832-I864 HydrophobicContact CD1-CG2 4.29Å; Y832-I864 HydrophobicContact CD2-CD1 3.34Å; Y832-I864 HydrophobicContact CD2-CG2 4.38Å; Y832-I864 HydrophobicContact CE1-CG2 4.03Å; Y832-I864 HydrophobicContact CE2-CD1 3.6Å; Y832-I864 HydrophobicContact CE2-CG2 4.15Å; Y832-I864 HydrophobicContact CG-CD1 4.01Å; Y832-I864 HydrophobicContact CG-CG2 4.41Å; D844-I864 HydrophobicContact CB-CB 4.37Å; D844-I864 PolarHBondContact N-O 3.1Å; D844-I864 PolarHBondContact O-N 2.75Å; F846-I864 HydrophobicContact CD1-CD1 4.01Å; F846-I864 HydrophobicContact CE1-CD1 4.23Å; F862-I864 HydrophobicContact CD1-CG1 4.22Å; F862-I864 HydrophobicContact CE1-CG1 4.22Å |
| 865 | A | 79.9 | Confident | 72.5 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F757 T758 M759 I842 Y843 | F757-A865 PolarHBondContact O-N 2.98Å; T758-A865 CarbonylContact C-O 3.55Å; T758-A865 WeakPolarHBondContact CA-O 3.18Å; T758-A865 HydrophobicContact CG2-CB 3.97Å; M759-A865 WeakPolarHBondContact CB-O 3.29Å; M759-A865 PolarHBondContact N-O 3.19Å; I842-A865 CarbonylContact O-C 3.57Å; I842-A865 WeakPolarHBondContact O-CA 2.87Å; Y843-A865 HydrophobicContact CD1-CB 3.68Å; Y843-A865 HydrophobicContact CE1-CB 3.84Å |
| 866 | Y | 81.5 | Confident | 73.1 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.1 | 173.4 | 165.5 | -92.6 | 0 | 0 | 0 | 110.5 | M759 Q762 L834 H838 I841 I842 P868 | M759-Y866 CarbonylContact O-C 3.34Å; M759-Y866 WeakPolarHBondContact O-CA 3.05Å; Q762-Y866 VanDerWaalsContact O-CD2 3.28Å; Q762-Y866 WeakPolarHBondContact O-CD2 3.49Å; Q762-Y866 WeakPolarHBondContact O-CE2 2.57Å; L834-Y866 HydrophobicContact CD1-CD2 3.5Å; L834-Y866 HydrophobicContact CD1-CE2 4.15Å; L834-Y866 HydrophobicContact CD1-CG 3.97Å; L834-Y866 HydrophobicContact CD2-CD1 3.84Å; L834-Y866 HydrophobicContact CD2-CD2 3.77Å; L834-Y866 HydrophobicContact CD2-CE1 4.31Å; L834-Y866 HydrophobicContact CD2-CE2 4.24Å; L834-Y866 HydrophobicContact CD2-CG 3.52Å; L834-Y866 HydrophobicContact CG-CD2 4.3Å; L834-Y866 HydrophobicContact CG-CG 4.41Å; H838-Y866 HydrophobicContact CB-CD1 4.48Å; H838-Y866 HydrophobicContact CB-CE1 3.93Å; H838-Y866 WeakPolarHBondContact O-CE1 3.19Å; H838-Y866 PolarHBondContact O-OH 3.23Å; I841-Y866 CarbonylContact C-O 3.43Å; I841-Y866 VanDerWaalsContact CA-O 3.26Å; I841-Y866 WeakPolarHBondContact CA-O 3.4Å; I841-Y866 WeakPolarHBondContact CG2-O 3.23Å; I842-Y866 HydrophobicContact CD1-CD1 3.96Å; I842-Y866 HydrophobicContact CG1-CD1 3.99Å; I842-Y866 PolarHBondContact N-O 3.32Å; I842-Y866 PolarHBondContact O-N 2.87Å; Y866-P868 HydrophobicContact CE1-CB 4.19Å; Y866-P868 HydrophobicContact CE1-CG 4.45Å |
| 867 | I | 72.4 | Confident | 73.4 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 117.7 | -179.9 | -46.4 | -178.7 | 0 | 0 | 0 | 108.4 | T758 M759 I760 A761 I841 V2112 | T758-I867 HydrophobicContact CG2-CD1 3.7Å; T758-I867 HydrophobicContact CG2-CG1 4Å; M759-I867 PolarHBondContact O-N 3.16Å; I760-I867 CarbonylContact C-O 3.5Å; I760-I867 WeakPolarHBondContact CA-O 3.31Å; I760-I867 HydrophobicContact CG1-CD1 4.39Å; I760-I867 HydrophobicContact CG2-CB 4.31Å; A761-I867 PolarHBondContact N-O 3.4Å; I841-I867 HydrophobicContact CD1-CG2 4.22Å; I841-I867 HydrophobicContact CG1-CG1 4.41Å; I841-I867 HydrophobicContact CG1-CG2 4.05Å; I841-I867 HydrophobicContact CG2-CG1 4.5Å; I867-V2112 HydrophobicContact CD1-CG1 4.24Å |
| 868 | P | 67 | Low | 73.6 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | trans | -69.6 | 174.7 | -176.1 | 26.9 | -34.7 | 0 | 0 | 0 | 114.3 | S840 Y866 R2050 | S840-P868 WeakPolarHBondContact O-CD 2.65Å; Y866-P868 HydrophobicContact CE1-CB 4.19Å; Y866-P868 HydrophobicContact CE1-CG 4.45Å; P868-R2050 PolarHBondContact O-NH2 3Å | ||
| 869 | E | 59.3 | Low | 73.9 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | trans | -119 | 139.7 | -179.2 | -142.7 | 180 | -146.2 | 0 | 0 | 112.7 | A761 E871 | A761-E869 HydrophobicContact CB-CB 3.51Å; A761-E869 HydrophobicContact CB-CG 3.63Å; E869-E871 PolarHBondContact O-N 2.68Å | ||
| 870 | S | 53.4 | Low | 74 | Confident | 75 Ų | 75 | 54 Ų | 54 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 58.4 | -40 | 157.9 | -60.2 | 0 | 0 | 0 | 0 | 120.1 | H872 N900 | S870-H872 VanDerWaalsContact C-N 3.33Å; S870-H872 PolarHBondContact O-N 2.88Å; S870-N900 PolarHBondContact O-ND2 2.83Å; S870-N900 VanDerWaalsContact O-ND2 3.11Å |
| 871 | E | 53.7 | Low | 74.2 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -92 | 68.8 | 177.8 | -59.5 | -145.5 | 152.3 | 0 | 0 | 111.1 | E869 L873 M899 R901 | E869-E871 PolarHBondContact O-N 2.68Å; E871-L873 PolarHBondContact O-N 3.36Å; E871-M899 HydrophobicContact CB-CE 4.1Å; E871-M899 WeakPolarHBondContact OE2-CE 3.34Å; E871-R901 IonicContact OE1-CZ 2.74Å; E871-R901 IonicContact OE1-NE 2.68Å; E871-R901 PolarHBondContact OE1-NE 2.87Å; E871-R901 IonicContact OE1-NH2 2.69Å; E871-R901 PolarHBondContact OE1-NH2 2.88Å; E871-R901 IonicContact OE2-NE 2.86Å; E871-R901 IonicContact OE2-NH2 3.41Å | ||
| 872 | H | 51 | Low | 74.1 | Confident | 121 Ų | 121 | 49.5 Ų | 49.5 | 56% | 0.56 | 25% | 0.25 | S | C | * | . | trans | -66.1 | 97.9 | 172 | -63.9 | -89.2 | 0 | 0 | 0 | 109.8 | S870 M874 | S870-H872 VanDerWaalsContact C-N 3.33Å; S870-H872 PolarHBondContact O-N 2.88Å; H872-M874 PolarHBondContact O-N 3.42Å | ||
| 873 | L | 62.6 | Low | 73.4 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | trans | -72.8 | 91.3 | 166.4 | -179.1 | 62.6 | 0 | 0 | 0 | 108.2 | E871 V875 T897 M899 F905 L979 | E871-L873 PolarHBondContact O-N 3.36Å; L873-V875 HydrophobicContact CD2-CG2 4.42Å; L873-V875 HydrophobicContact CG-CG2 4.01Å; L873-V875 PolarHBondContact O-N 3.09Å; L873-V875 VanDerWaalsContact O-N 3.08Å; L873-T897 HydrophobicContact CD1-CG2 3.67Å; L873-M899 HydrophobicContact CD1-CB 3.88Å; L873-M899 HydrophobicContact CD1-CG 4.12Å; L873-M899 HydrophobicContact CD1-SD 4.11Å; L873-F905 HydrophobicContact CD1-CE1 4.31Å; L873-F905 HydrophobicContact CD1-CZ 4.47Å; L873-L979 HydrophobicContact CD2-CB 4.1Å; L873-L979 HydrophobicContact CD2-CD1 4.49Å; L873-L979 HydrophobicContact CD2-CD2 3.88Å; L873-L979 HydrophobicContact CD2-CG 4.37Å | ||
| 874 | M | 65.6 | Low | 72.8 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 58% | 0.576 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 98.7 | 179.2 | -177 | -176.2 | -176.8 | 0 | 0 | 109.4 | H872 V876 T897 K898 | H872-M874 PolarHBondContact O-N 3.42Å; M874-V876 HydrophobicContact CE-CG2 4.13Å; M874-T897 CarbonylContact O-C 3.49Å; M874-T897 VanDerWaalsContact O-CA 3.29Å; M874-T897 WeakPolarHBondContact O-CA 3.05Å; M874-K898 PolarHBondContact N-O 3.37Å; M874-K898 PolarHBondContact O-N 3.35Å |
| 875 | V | 73.2 | Confident | 72.3 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114.9 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | L873 N877 F896 T897 L979 F981 | L873-V875 HydrophobicContact CD2-CG2 4.42Å; L873-V875 HydrophobicContact CG-CG2 4.01Å; L873-V875 PolarHBondContact O-N 3.09Å; L873-V875 VanDerWaalsContact O-N 3.08Å; V875-N877 HydrophobicContact CG1-CB 4.01Å; V875-F896 WeakPolarHBondContact CA-O 2.93Å; V875-T897 HydrophobicContact CG2-CG2 4.27Å; V875-L979 HydrophobicContact CG2-CD2 3.64Å; V875-F981 HydrophobicContact CG1-CD1 4.28Å; V875-F981 HydrophobicContact CG1-CE1 3.73Å; V875-F981 HydrophobicContact CG1-CE2 4.43Å; V875-F981 HydrophobicContact CG1-CZ 3.81Å |
| 876 | V | 76.9 | Confident | 72.5 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.3 | 162.7 | -174.3 | 0 | 0 | 0 | 0 | 106.3 | M874 R878 L895 F896 | M874-V876 HydrophobicContact CE-CG2 4.13Å; V876-R878 HydrophobicContact CG1-CG 4.01Å; V876-L895 CarbonylContact O-C 3.48Å; V876-L895 VanDerWaalsContact O-CA 3.27Å; V876-L895 WeakPolarHBondContact O-CA 3.4Å; V876-F896 HydrophobicContact CB-CB 3.9Å; V876-F896 HydrophobicContact CG2-CB 4.01Å; V876-F896 HydrophobicContact CG2-CD1 4.4Å; V876-F896 PolarHBondContact N-O 3.48Å; V876-F896 PolarHBondContact O-N 2.89Å |
| 877 | N | 80.3 | Confident | 72.7 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 66.5 | 175.6 | -179.4 | 46 | 0 | 0 | 0 | 108.3 | V875 F981 W982 L983 | V875-N877 HydrophobicContact CG1-CB 4.01Å; N877-F981 HydrophobicContact CB-CD2 4.17Å; N877-F981 HydrophobicContact CB-CE2 4.03Å; N877-F981 WeakPolarHBondContact OD1-CE2 3.48Å; N877-W982 PolarHBondContact ND2-O 2.99Å; N877-L983 WeakPolarHBondContact OD1-CA 2.83Å; N877-L983 VanDerWaalsContact OD1-CD1 3.23Å; N877-L983 WeakPolarHBondContact OD1-CD1 2.97Å |
| 878 | R | 78.5 | Confident | 73.5 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | trans | -84.1 | 140.2 | -179.5 | -64.3 | -169.8 | -178.6 | 146.7 | -15 | 110.1 | V876 V880 H893 T894 | V876-R878 HydrophobicContact CG1-CG 4.01Å; R878-V880 PolarHBondContact O-N 3.38Å; R878-H893 WeakPolarHBondContact CD-O 2.92Å; R878-H893 PolarHBondContact NH1-O 2.81Å; R878-H893 VanDerWaalsContact NH1-O 3.07Å; R878-T894 PolarHBondContact N-O 3.4Å | ||
| 879 | T | 80.2 | Confident | 74.5 | Confident | 75 Ų | 75 | 66 Ų | 66 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -52.4 | 121.9 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | I881 H984 R986 | T879-I881 PolarHBondContact O-N 2.99Å; T879-H984 CarbonylContact C-O 3.29Å; T879-H984 VanDerWaalsContact CA-O 3.31Å; T879-H984 WeakPolarHBondContact CA-O 3.37Å; T879-H984 HydrophobicContact CG2-CB 4.21Å; T879-R986 HydrophobicContact CG2-CB 3.63Å | ||
| 880 | V | 84.6 | Confident | 76 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.6 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | R878 K888 L890 L983 H984 I985 R986 | R878-V880 PolarHBondContact O-N 3.38Å; V880-K888 HydrophobicContact CG1-CB 3.98Å; V880-K888 HydrophobicContact CG1-CG 3.95Å; V880-L890 HydrophobicContact CB-CD2 4.5Å; V880-L890 HydrophobicContact CG1-CD2 4.03Å; V880-L890 HydrophobicContact CG2-CD2 3.61Å; V880-L983 HydrophobicContact CG2-CD1 3.86Å; V880-L983 HydrophobicContact CG2-CD2 4.22Å; V880-L983 HydrophobicContact CG2-CG 4.17Å; V880-H984 PolarHBondContact N-O 3.17Å; V880-I985 HydrophobicContact CB-CG1 4.09Å; V880-I985 CarbonylContact O-C 3.54Å; V880-I985 WeakPolarHBondContact O-CA 2.99Å; V880-I985 WeakPolarHBondContact O-CG2 3.16Å; V880-R986 PolarHBondContact O-N 2.85Å |
| 881 | I | 84.4 | Confident | 77.5 | Confident | 80 Ų | 80 | 60 Ų | 60 | 41% | 0.41 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.1 | 177.1 | -54.3 | 178.9 | 0 | 0 | 0 | 109.7 | T879 K888 R986 L988 | T879-I881 PolarHBondContact O-N 2.99Å; I881-K888 VanDerWaalsContact O-CD 3.26Å; I881-K888 WeakPolarHBondContact O-CD 2.81Å; I881-K888 WeakPolarHBondContact O-CE 3.28Å; I881-K888 PolarHBondContact O-NZ 3.24Å; I881-K888 VanDerWaalsContact O-NZ 3.1Å; I881-R986 WeakPolarHBondContact CA-O 3.45Å; I881-L988 HydrophobicContact CG2-CD1 3.68Å; I881-L988 HydrophobicContact CG2-CD2 3.85Å; I881-L988 HydrophobicContact CG2-CG 3.66Å |
| 882 | V | 84.7 | Confident | 79 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.8 | 176.7 | 72.5 | 0 | 0 | 0 | 0 | 109.5 | S886 K888 Y948 H950 I985 R986 I987 L988 | V882-S886 VanDerWaalsContact CG2-C 3.47Å; V882-S886 WeakPolarHBondContact CG2-O 2.92Å; V882-K888 HydrophobicContact CB-CB 4.13Å; V882-K888 HydrophobicContact CG2-CB 4.01Å; V882-Y948 HydrophobicContact CG1-CD1 4.15Å; V882-Y948 HydrophobicContact CG1-CE1 4.03Å; V882-H950 HydrophobicContact CG1-CB 4.39Å; V882-I985 HydrophobicContact CG1-CG2 3.98Å; V882-R986 PolarHBondContact N-O 2.79Å; V882-I987 HydrophobicContact CG1-CG1 3.94Å; V882-I987 CarbonylContact O-C 3.57Å; V882-I987 VanDerWaalsContact O-CA 3.3Å; V882-I987 WeakPolarHBondContact O-CA 3.43Å; V882-L988 PolarHBondContact O-N 3.4Å |
| 883 | E | 77.5 | Confident | 80.4 | Confident | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 158.5 | 170.4 | -60.7 | 161.3 | 155.8 | 0 | 0 | 110.4 | G885 S886 L988 | E883-G885 PolarHBondContact O-N 3.37Å; E883-S886 WeakPolarHBondContact O-CB 3.01Å; E883-S886 PolarHBondContact O-N 2.84Å; E883-S886 PolarHBondContact OE2-OG 2.83Å; E883-L988 HydrophobicContact CG-CB 4.41Å; E883-L988 HydrophobicContact CG-CD1 4.36Å |
| 884 | E | 73.4 | Confident | 81.4 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 107.8 | 173.9 | -170.8 | -175.4 | 172.6 | 0 | 0 | 112.2 | S886 I987 L988 S990 | E884-S886 VanDerWaalsContact C-N 3.31Å; E884-S886 PolarHBondContact O-N 2.96Å; E884-I987 HydrophobicContact CB-CG2 4.15Å; E884-L988 PolarHBondContact N-O 3.12Å; E884-S990 VanDerWaalsContact OE2-CB 3.25Å; E884-S990 WeakPolarHBondContact OE2-CB 3.14Å; E884-S990 PolarHBondContact OE2-N 2.81Å; E884-S990 PolarHBondContact OE2-OG 3.09Å |
| 885 | G | 77.7 | Confident | 82.4 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E883 H950 | E883-G885 PolarHBondContact O-N 3.37Å; G885-H950 PolarHBondContact N-ND1 3.07Å; G885-H950 VanDerWaalsContact N-ND1 3.17Å |
| 886 | S | 84 | Confident | 82.9 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | trans | -80.8 | 174.5 | 173.2 | -86.8 | 0 | 0 | 0 | 0 | 112.5 | V882 E883 E884 H950 | V882-S886 VanDerWaalsContact CG2-C 3.47Å; V882-S886 WeakPolarHBondContact CG2-O 2.92Å; E883-S886 WeakPolarHBondContact O-CB 3.01Å; E883-S886 PolarHBondContact O-N 2.84Å; E883-S886 PolarHBondContact OE2-OG 2.83Å; E884-S886 VanDerWaalsContact C-N 3.31Å; E884-S886 PolarHBondContact O-N 2.96Å; S886-H950 PolarHBondContact O-N 3.46Å | ||
| 887 | S | 87 | Confident | 83.2 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.2 | 174.4 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | K921 Y948 | S887-K921 PolarHBondContact OG-NZ 2.85Å; S887-Y948 CarbonylContact C-O 2.89Å; S887-Y948 WeakPolarHBondContact CA-O 3.38Å; S887-Y948 WeakPolarHBondContact CB-O 3.16Å |
| 888 | K | 88.3 | Confident | 83 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.1 | -173.7 | -161 | 74.7 | 169.2 | -150 | 0 | 111.7 | V880 I881 V882 W947 Y948 | V880-K888 HydrophobicContact CG1-CB 3.98Å; V880-K888 HydrophobicContact CG1-CG 3.95Å; I881-K888 VanDerWaalsContact O-CD 3.26Å; I881-K888 WeakPolarHBondContact O-CD 2.81Å; I881-K888 WeakPolarHBondContact O-CE 3.28Å; I881-K888 PolarHBondContact O-NZ 3.24Å; I881-K888 VanDerWaalsContact O-NZ 3.1Å; V882-K888 HydrophobicContact CB-CB 4.13Å; V882-K888 HydrophobicContact CG2-CB 4.01Å; K888-W947 CarbonylContact O-C 3.55Å; K888-W947 WeakPolarHBondContact O-CA 2.95Å; K888-Y948 PolarHBondContact N-O 2.72Å; K888-Y948 PolarHBondContact O-N 3.44Å |
| 889 | M | 89 | Confident | 82.8 | Confident | 74 Ų | 74 | 47 Ų | 47 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.3 | 174.1 | -167.9 | 178.2 | 81.5 | 0 | 0 | 110.9 | S891 G944 W947 | M889-S891 PolarHBondContact O-N 2.79Å; M889-G944 VanDerWaalsContact SD-O 3.4Å; M889-W947 HydrophobicContact CB-CD2 3.91Å; M889-W947 HydrophobicContact CB-CE3 4.26Å; M889-W947 HydrophobicContact CB-CG 4.45Å; M889-W947 HydrophobicContact CB-CH2 4.13Å; M889-W947 HydrophobicContact CB-CZ2 3.77Å; M889-W947 HydrophobicContact CB-CZ3 4.36Å; M889-W947 HydrophobicContact CG-CD2 4.41Å; M889-W947 HydrophobicContact CG-CZ2 4.11Å; M889-W947 HydrophobicContact SD-CZ2 4.27Å |
| 890 | L | 89.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | trans | -83 | 111.6 | 167.5 | -57.3 | -170 | 0 | 0 | 0 | 108 | V880 T894 L895 V918 V946 L983 | V880-L890 HydrophobicContact CB-CD2 4.5Å; V880-L890 HydrophobicContact CG1-CD2 4.03Å; V880-L890 HydrophobicContact CG2-CD2 3.61Å; L890-T894 WeakPolarHBondContact CA-OG1 2.72Å; L890-L895 HydrophobicContact CD1-CD2 4.33Å; L890-V918 HydrophobicContact CD1-CG1 4.02Å; L890-V946 HydrophobicContact CB-CB 4.31Å; L890-V946 HydrophobicContact CB-CG1 4.23Å; L890-V946 HydrophobicContact CD1-CG1 3.94Å; L890-V946 HydrophobicContact CG-CG1 4.32Å; L890-V946 PolarHBondContact N-O 3.17Å; L890-L983 HydrophobicContact CD1-CD2 4.1Å | ||
| 891 | S | 85.9 | Confident | 81.8 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -111.7 | 169.2 | -178.2 | 64.5 | 0 | 0 | 0 | 0 | 111 | M889 H893 T894 L895 | M889-S891 PolarHBondContact O-N 2.79Å; S891-H893 PolarHBondContact O-N 3.05Å; S891-H893 PolarHBondContact OG-N 3.28Å; S891-T894 PolarHBondContact N-OG1 3.09Å; S891-T894 PolarHBondContact O-N 2.95Å; S891-T894 PolarHBondContact O-OG1 3.01Å; S891-L895 PolarHBondContact O-N 3.25Å; S891-L895 VanDerWaalsContact O-O 3.08Å | ||
| 892 | N | 84.8 | Confident | 81.4 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.3 | 170.7 | 61.4 | -5.1 | 0 | 0 | 0 | 113.9 | F896 | N892-F896 HydrophobicContact CB-CB 4.46Å; N892-F896 HydrophobicContact CB-CD2 3.92Å; N892-F896 HydrophobicContact CB-CG 4.36Å; N892-F896 WeakPolarHBondContact O-CB 3.27Å |
| 893 | H | 80.1 | Confident | 80.9 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -15 | 173.2 | -57 | -55.1 | 0 | 0 | 0 | 114.3 | R878 S891 | R878-H893 WeakPolarHBondContact CD-O 2.92Å; R878-H893 PolarHBondContact NH1-O 2.81Å; R878-H893 VanDerWaalsContact NH1-O 3.07Å; S891-H893 PolarHBondContact O-N 3.05Å; S891-H893 PolarHBondContact OG-N 3.28Å |
| 894 | T | 83.5 | Confident | 81.3 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -47.3 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | R878 L890 S891 | R878-T894 PolarHBondContact N-O 3.4Å; L890-T894 WeakPolarHBondContact CA-OG1 2.72Å; S891-T894 PolarHBondContact N-OG1 3.09Å; S891-T894 PolarHBondContact O-N 2.95Å; S891-T894 PolarHBondContact O-OG1 3.01Å |
| 895 | L | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 117 | 179.8 | -179.3 | 60.9 | 0 | 0 | 0 | 109 | V876 L890 S891 Y907 F936 I941 I962 F981 L983 | V876-L895 CarbonylContact O-C 3.48Å; V876-L895 VanDerWaalsContact O-CA 3.27Å; V876-L895 WeakPolarHBondContact O-CA 3.4Å; L890-L895 HydrophobicContact CD1-CD2 4.33Å; S891-L895 PolarHBondContact O-N 3.25Å; S891-L895 VanDerWaalsContact O-O 3.08Å; L895-Y907 HydrophobicContact CD1-CD1 4.43Å; L895-Y907 HydrophobicContact CD1-CE1 4.22Å; L895-Y907 HydrophobicContact CD2-CD1 4.35Å; L895-Y907 HydrophobicContact CG-CD1 4.41Å; L895-Y907 HydrophobicContact CG-CE1 4.21Å; L895-F936 HydrophobicContact CD2-CE2 3.66Å; L895-F936 HydrophobicContact CD2-CZ 3.69Å; L895-I941 HydrophobicContact CD2-CD1 4.47Å; L895-I941 HydrophobicContact CG-CD1 4.26Å; L895-I941 WeakPolarHBondContact O-CG2 3.34Å; L895-I962 HydrophobicContact CD2-CD1 4.01Å; L895-F981 HydrophobicContact CD1-CE2 3.8Å; L895-F981 HydrophobicContact CD1-CZ 3.82Å; L895-L983 HydrophobicContact CD2-CD2 4.42Å |
| 896 | F | 84.4 | Confident | 82.7 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 157.6 | 177.9 | -174.2 | -106.9 | 0 | 0 | 0 | 110.1 | V875 V876 N892 K898 T938 | V875-F896 WeakPolarHBondContact CA-O 2.93Å; V876-F896 HydrophobicContact CB-CB 3.9Å; V876-F896 HydrophobicContact CG2-CB 4.01Å; V876-F896 HydrophobicContact CG2-CD1 4.4Å; V876-F896 PolarHBondContact N-O 3.48Å; V876-F896 PolarHBondContact O-N 2.89Å; N892-F896 HydrophobicContact CB-CB 4.46Å; N892-F896 HydrophobicContact CB-CD2 3.92Å; N892-F896 HydrophobicContact CB-CG 4.36Å; N892-F896 WeakPolarHBondContact O-CB 3.27Å; F896-K898 HydrophobicContact CD1-CB 4.48Å; F896-K898 HydrophobicContact CE1-CB 3.7Å; F896-K898 HydrophobicContact CZ-CB 4.28Å; F896-T938 HydrophobicContact CD2-CG2 4Å; F896-T938 HydrophobicContact CE2-CG2 3.51Å; F896-T938 HydrophobicContact CZ-CG2 4.42Å |
| 897 | T | 82.3 | Confident | 83 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 131 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 108.6 | L873 M874 V875 F905 Y907 V964 | L873-T897 HydrophobicContact CD1-CG2 3.67Å; M874-T897 CarbonylContact O-C 3.49Å; M874-T897 VanDerWaalsContact O-CA 3.29Å; M874-T897 WeakPolarHBondContact O-CA 3.05Å; V875-T897 HydrophobicContact CG2-CG2 4.27Å; T897-F905 HydrophobicContact CG2-CD1 3.82Å; T897-F905 HydrophobicContact CG2-CD2 4.11Å; T897-F905 HydrophobicContact CG2-CE1 3.78Å; T897-F905 HydrophobicContact CG2-CE2 4.1Å; T897-F905 HydrophobicContact CG2-CG 4.01Å; T897-F905 HydrophobicContact CG2-CZ 3.94Å; T897-F905 WeakPolarHBondContact O-CD2 3.12Å; T897-F905 VanDerWaalsContact O-CE2 3.23Å; T897-F905 WeakPolarHBondContact O-CE2 2.77Å; T897-Y907 WeakPolarHBondContact CB-OH 3Å; T897-Y907 PolarHBondContact N-OH 3.12Å; T897-V964 HydrophobicContact CG2-CG1 4.29Å; T897-V964 HydrophobicContact CG2-CG2 4.03Å |
| 898 | K | 76.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.1 | 173.1 | 177.7 | 161.2 | 173.3 | 142.1 | 0 | 110.4 | M874 F896 D903 | M874-K898 PolarHBondContact N-O 3.37Å; M874-K898 PolarHBondContact O-N 3.35Å; F896-K898 HydrophobicContact CD1-CB 4.48Å; F896-K898 HydrophobicContact CE1-CB 3.7Å; F896-K898 HydrophobicContact CZ-CB 4.28Å; K898-D903 WeakPolarHBondContact CE-OD1 3.45Å; K898-D903 IonicContact NZ-OD1 2.79Å; K898-D903 PolarHBondContact NZ-OD1 3.22Å |
| 899 | M | 74 | Confident | 83.1 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -137.8 | 149.9 | 175.1 | -163.8 | 178 | -170.9 | 0 | 0 | 107.9 | E871 L873 R901 F902 F905 L977 | E871-M899 HydrophobicContact CB-CE 4.1Å; E871-M899 WeakPolarHBondContact OE2-CE 3.34Å; L873-M899 HydrophobicContact CD1-CB 3.88Å; L873-M899 HydrophobicContact CD1-CG 4.12Å; L873-M899 HydrophobicContact CD1-SD 4.11Å; M899-R901 PolarHBondContact O-N 2.56Å; M899-F902 PolarHBondContact N-O 2.69Å; M899-F902 CarbonylContact O-C 3.45Å; M899-F902 PolarHBondContact O-N 3.33Å; M899-F902 HydrophobicContact SD-CD2 4.19Å; M899-F905 HydrophobicContact CB-CE1 4.48Å; M899-F905 HydrophobicContact CB-CZ 3.76Å; M899-L977 HydrophobicContact CE-CD2 4.36Å; M899-L977 HydrophobicContact SD-CD1 4.41Å |
| 900 | N | 69.5 | Low | 82.9 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.1 | -170.9 | -71.4 | -18.8 | 0 | 0 | 0 | 115.7 | S870 | S870-N900 PolarHBondContact O-ND2 2.83Å; S870-N900 VanDerWaalsContact O-ND2 3.11Å |
| 901 | R | 73.4 | Confident | 82.6 | Confident | 178 Ų | 178 | 57 Ų | 57 | 67% | 0.672 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.3 | 175.4 | -53.2 | -174.1 | -163.7 | -146.9 | 2.7 | 114.6 | E871 M899 | E871-R901 IonicContact OE1-CZ 2.74Å; E871-R901 IonicContact OE1-NE 2.68Å; E871-R901 PolarHBondContact OE1-NE 2.87Å; E871-R901 IonicContact OE1-NH2 2.69Å; E871-R901 PolarHBondContact OE1-NH2 2.88Å; E871-R901 IonicContact OE2-NE 2.86Å; E871-R901 IonicContact OE2-NH2 3.41Å; M899-R901 PolarHBondContact O-N 2.56Å |
| 902 | F | 76.1 | Confident | 82.4 | Confident | 42 Ų | 42 | 63 Ų | 63 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -143.3 | 119.1 | -168.1 | -55.3 | -74.4 | 0 | 0 | 0 | 111.1 | M899 F905 P966 I968 L977 | M899-F902 PolarHBondContact N-O 2.69Å; M899-F902 CarbonylContact O-C 3.45Å; M899-F902 PolarHBondContact O-N 3.33Å; M899-F902 HydrophobicContact SD-CD2 4.19Å; F902-F905 HydrophobicContact CB-CE1 4.38Å; F902-F905 HydrophobicContact CB-CE2 4.11Å; F902-F905 HydrophobicContact CB-CZ 3.74Å; F902-F905 WeakPolarHBondContact O-CE2 3.4Å; F902-P966 HydrophobicContact CB-CB 4.09Å; F902-P966 HydrophobicContact CD1-CB 3.65Å; F902-P966 HydrophobicContact CD1-CG 4.42Å; F902-P966 HydrophobicContact CD2-CB 3.87Å; F902-P966 HydrophobicContact CD2-CG 3.75Å; F902-P966 HydrophobicContact CE1-CB 3.96Å; F902-P966 HydrophobicContact CE2-CB 4.18Å; F902-P966 HydrophobicContact CE2-CG 3.95Å; F902-P966 HydrophobicContact CG-CB 3.6Å; F902-P966 HydrophobicContact CG-CG 4.02Å; F902-P966 HydrophobicContact CZ-CB 4.22Å; F902-P966 HydrophobicContact CZ-CG 4.35Å; F902-I968 HydrophobicContact CE1-CG1 4.16Å; F902-L977 HydrophobicContact CD2-CD1 4.34Å; F902-L977 HydrophobicContact CE2-CD1 3.47Å; F902-L977 VanDerWaalsContact CE2-CD1 3.47Å; F902-L977 HydrophobicContact CZ-CD1 4.1Å |
| 903 | D | 75.5 | Confident | 82.5 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -94.2 | -11.3 | 175.3 | -72.8 | -59 | 0 | 0 | 0 | 113.6 | K898 | K898-D903 WeakPolarHBondContact CE-OD1 3.45Å; K898-D903 IonicContact NZ-OD1 2.79Å; K898-D903 PolarHBondContact NZ-OD1 3.22Å |
| 904 | N | 85.7 | Confident | 82.7 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | trans | -129.5 | 135.2 | -175.7 | -166 | 19.5 | 0 | 0 | 0 | 110.9 | L967 | N904-L967 PolarHBondContact O-N 3.23Š| ||
| 905 | F | 88.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.5 | -177 | -65.2 | -100.2 | 0 | 0 | 0 | 110.1 | L873 T897 M899 F902 Y907 S937 T938 V964 S965 P966 | L873-F905 HydrophobicContact CD1-CE1 4.31Å; L873-F905 HydrophobicContact CD1-CZ 4.47Å; T897-F905 HydrophobicContact CG2-CD1 3.82Å; T897-F905 HydrophobicContact CG2-CD2 4.11Å; T897-F905 HydrophobicContact CG2-CE1 3.78Å; T897-F905 HydrophobicContact CG2-CE2 4.1Å; T897-F905 HydrophobicContact CG2-CG 4.01Å; T897-F905 HydrophobicContact CG2-CZ 3.94Å; T897-F905 WeakPolarHBondContact O-CD2 3.12Å; T897-F905 VanDerWaalsContact O-CE2 3.23Å; T897-F905 WeakPolarHBondContact O-CE2 2.77Å; M899-F905 HydrophobicContact CB-CE1 4.48Å; M899-F905 HydrophobicContact CB-CZ 3.76Å; F902-F905 HydrophobicContact CB-CE1 4.38Å; F902-F905 HydrophobicContact CB-CE2 4.11Å; F902-F905 HydrophobicContact CB-CZ 3.74Å; F902-F905 WeakPolarHBondContact O-CE2 3.4Å; F905-Y907 HydrophobicContact CB-CE2 4.28Å; F905-S937 CarbonylContact O-C 3.57Å; F905-S937 WeakPolarHBondContact O-CA 3.19Å; F905-T938 PolarHBondContact N-OG1 2.92Å; F905-T938 VanDerWaalsContact N-OG1 3.14Å; F905-T938 PolarHBondContact O-N 3.4Å; F905-V964 HydrophobicContact CB-CG2 3.63Å; F905-V964 HydrophobicContact CD1-CG2 3.88Å; F905-V964 HydrophobicContact CG-CG2 4.01Å; F905-S965 CarbonylContact C-O 2.67Å; F905-S965 WeakPolarHBondContact CA-O 2.97Å; F905-P966 HydrophobicContact CD1-CB 4.42Å; F905-P966 HydrophobicContact CD1-CG 4.27Å; F905-P966 HydrophobicContact CE1-CB 4.29Å; F905-P966 HydrophobicContact CE1-CG 3.9Å |
| 906 | Q | 90.2 | Very high | 82.6 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.7 | 163.2 | -170.1 | -177.7 | 34.5 | 0 | 0 | 109.2 | V964 S965 | Q906-V964 WeakPolarHBondContact O-CA 3.33Å; Q906-S965 PolarHBondContact N-O 3.45Å; Q906-S965 PolarHBondContact O-N 2.79Å |
| 907 | Y | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.5 | 168.9 | -53.4 | -97.5 | 0 | 0 | 0 | 107.9 | L895 T897 F905 T935 F936 T938 I941 I962 A963 V964 | L895-Y907 HydrophobicContact CD1-CD1 4.43Å; L895-Y907 HydrophobicContact CD1-CE1 4.22Å; L895-Y907 HydrophobicContact CD2-CD1 4.35Å; L895-Y907 HydrophobicContact CG-CD1 4.41Å; L895-Y907 HydrophobicContact CG-CE1 4.21Å; T897-Y907 WeakPolarHBondContact CB-OH 3Å; T897-Y907 PolarHBondContact N-OH 3.12Å; F905-Y907 HydrophobicContact CB-CE2 4.28Å; Y907-T935 VanDerWaalsContact O-CA 3.24Å; Y907-T935 WeakPolarHBondContact O-CA 3.21Å; Y907-F936 VanDerWaalsContact CB-CE2 3.47Å; Y907-F936 HydrophobicContact CD1-CE2 4.31Å; Y907-F936 AromaticContact CD2-CD2 3.79Å; Y907-F936 HydrophobicContact CD2-CD2 3.79Å; Y907-F936 AromaticContact CD2-CE2 3.81Å; Y907-F936 HydrophobicContact CD2-CE2 3.81Å; Y907-F936 AromaticContact CG-CD2 3.99Å; Y907-F936 HydrophobicContact CG-CD2 3.99Å; Y907-F936 AromaticContact CG-CE2 3.6Å; Y907-F936 HydrophobicContact CG-CE2 3.6Å; Y907-F936 HydrophobicContact CG-CZ 4.25Å; Y907-F936 PolarHBondContact N-O 2.73Å; Y907-F936 PolarHBondContact O-N 3.28Å; Y907-F936 VanDerWaalsContact O-O 3.12Å; Y907-T938 PolarHBondContact OH-OG1 2.93Å; Y907-I941 HydrophobicContact CD2-CD1 3.9Å; Y907-I941 HydrophobicContact CE1-CD1 4.38Å; Y907-I941 HydrophobicContact CE2-CD1 3.45Å; Y907-I941 VanDerWaalsContact CE2-CD1 3.45Å; Y907-I962 HydrophobicContact CD1-CG2 4.27Å; Y907-A963 CarbonylContact C-O 2.89Å; Y907-A963 WeakPolarHBondContact CA-O 3.48Å; Y907-V964 HydrophobicContact CD1-CB 4.01Å; Y907-V964 HydrophobicContact CD1-CG2 3.73Å; Y907-V964 HydrophobicContact CE1-CB 4.2Å; Y907-V964 HydrophobicContact CE1-CG2 3.58Å; Y907-V964 HydrophobicContact CG-CG2 4.32Å |
| 908 | K | 89 | Confident | 83.2 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.7 | 179.2 | 178 | 165.5 | -177.1 | 171.2 | 0 | 109.5 | L910 T935 I962 A963 | K908-L910 PolarHBondContact O-N 3.18Å; K908-T935 HydrophobicContact CB-CG2 3.94Å; K908-T935 HydrophobicContact CD-CG2 4.15Å; K908-T935 HydrophobicContact CG-CG2 3.84Å; K908-I962 WeakPolarHBondContact O-CA 2.88Å; K908-A963 PolarHBondContact N-O 2.76Å; K908-A963 PolarHBondContact O-N 3.01Å |
| 909 | I | 89.2 | Confident | 83.8 | Confident | 30 Ų | 30 | 67.4 Ų | 67.4 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.1 | 173.3 | -61.3 | -176.8 | 0 | 0 | 0 | 108.4 | S911 E912 V918 A933 T934 F936 V960 | I909-S911 WeakPolarHBondContact CG2-O 2.49Å; I909-E912 HydrophobicContact CG2-CG 4.46Å; I909-V918 HydrophobicContact CD1-CB 3.97Å; I909-V918 HydrophobicContact CD1-CG2 3.97Å; I909-A933 VanDerWaalsContact CD1-O 3.3Å; I909-A933 WeakPolarHBondContact CD1-O 3.49Å; I909-T934 PolarHBondContact N-O 2.62Å; I909-F936 HydrophobicContact CG1-CE1 4.46Å; I909-V960 HydrophobicContact CB-CG1 4.49Å; I909-V960 HydrophobicContact CD1-CG1 4Å; I909-V960 HydrophobicContact CG1-CG1 4.01Å; I909-V960 HydrophobicContact CG2-CG1 3.83Å |
| 910 | L | 83 | Confident | 84.4 | Confident | 78 Ų | 78 | 69.8 Ų | 69.8 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -24.6 | 175.8 | -65.7 | -171.7 | 0 | 0 | 0 | 112.3 | K908 Y961 A963 | K908-L910 PolarHBondContact O-N 3.18Å; L910-Y961 HydrophobicContact CB-CD1 3.54Å; L910-Y961 HydrophobicContact CB-CE1 4.16Å; L910-Y961 HydrophobicContact CB-CG 4.24Å; L910-Y961 HydrophobicContact CD1-CD1 3.94Å; L910-Y961 HydrophobicContact CD1-CE1 3.72Å; L910-Y961 HydrophobicContact CG-CD1 4.37Å; L910-Y961 PolarHBondContact N-O 3.25Å; L910-A963 HydrophobicContact CD1-CB 3.78Å; L910-A963 HydrophobicContact CD2-CB 4.29Å; L910-A963 HydrophobicContact CG-CB 3.94Å |
| 911 | S | 84.1 | Confident | 84.8 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 128.6 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 108 | I909 V960 Y961 | I909-S911 WeakPolarHBondContact CG2-O 2.49Å; S911-V960 WeakPolarHBondContact O-CG1 3.49Å; S911-Y961 PolarHBondContact N-O 2.79Å; S911-Y961 PolarHBondContact O-N 3.3Å |
| 912 | E | 82.7 | Confident | 84.8 | Confident | 145 Ų | 145 | 68 Ų | 68 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | trans | -63.3 | 167.2 | 172.3 | -72 | 153.4 | -157.5 | 0 | 0 | 111.9 | I909 | I909-E912 HydrophobicContact CG2-CG 4.46Š| ||
| 913 | A | 86.1 | Confident | 84 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | trans | -75.1 | 156.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G916 Y948 D958 V960 | A913-G916 VanDerWaalsContact CB-O 3.29Å; A913-G916 WeakPolarHBondContact CB-O 2.9Å; A913-Y948 HydrophobicContact CB-CE2 3.99Å; A913-D958 WeakPolarHBondContact CB-OD2 3.42Å; A913-V960 HydrophobicContact CB-CG2 3.58Å | ||
| 914 | K | 83.7 | Confident | 83.1 | Confident | 159 Ų | 159 | 80.1 Ų | 80.1 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -95.9 | -12.9 | -179.4 | -67.8 | -167.5 | 171 | -164.5 | 0 | 114 | D958 | K914-D958 WeakPolarHBondContact CB-OD1 3.32Å; K914-D958 VanDerWaalsContact N-CG 3.29Å; K914-D958 PolarHBondContact N-OD1 3.49Å; K914-D958 PolarHBondContact N-OD2 3.21Å |
| 915 | R | 84.3 | Confident | 81.4 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -142.7 | 26.2 | -169.2 | -58.8 | -68.8 | -178.3 | -111.2 | 16 | 111.4 | Y948 H950 D951 S953 S955 D958 | R915-Y948 PolarHBondContact O-OH 3.13Å; R915-H950 PolarHBondContact O-CD2 3.11Å; R915-D951 VanDerWaalsContact CA-OD2 3.3Å; R915-D951 WeakPolarHBondContact CA-OD2 3.18Å; R915-D951 PolarHBondContact O-N 2.81Å; R915-S953 WeakPolarHBondContact CD-OG 2.97Å; R915-S955 WeakPolarHBondContact CB-OG 3.43Å; R915-S955 WeakPolarHBondContact CG-OG 3.27Å; R915-D958 WeakPolarHBondContact CA-OD2 3.32Å; R915-D958 HydrophobicContact CB-CB 4.04Å; R915-D958 PolarHBondContact N-OD2 3.34Å |
| 916 | G | 84.4 | Confident | 79.3 | Confident | 21 Ų | 21 | 88 Ų | 88 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -171 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A913 E949 | A913-G916 VanDerWaalsContact CB-O 3.29Å; A913-G916 WeakPolarHBondContact CB-O 2.9Å; G916-E949 CarbonylContact C-O 3.59Å; G916-E949 WeakPolarHBondContact CA-O 2.89Å |
| 917 | R | 89.6 | Confident | 77 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.9 | -177.5 | 54.8 | 170.5 | -179.3 | -103.5 | -11.5 | 111.7 | V919 E932 Y948 E949 | R917-V919 HydrophobicContact CG-CG1 3.86Å; R917-E932 WeakPolarHBondContact CB-OE1 3.2Å; R917-E932 VanDerWaalsContact CD-OE1 3.24Å; R917-E932 WeakPolarHBondContact CD-OE1 3.28Å; R917-Y948 WeakPolarHBondContact O-CA 3.02Å; R917-E949 HydrophobicContact CG-CB 4.37Å; R917-E949 IonicContact CZ-OE2 3.08Å; R917-E949 PolarHBondContact N-O 3.31Å; R917-E949 IonicContact NE-OE2 2.61Å; R917-E949 PolarHBondContact NE-OE2 3.16Å; R917-E949 IonicContact NH2-OE2 3.75Å; R917-E949 PolarHBondContact NH2-OE2 2.68Å; R917-E949 PolarHBondContact O-N 2.89Å |
| 918 | V | 89.5 | Confident | 74.8 | Confident | 9 Ų | 9 | 95.3 Ų | 95.3 | 6% | 0.055 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.8 | 170.4 | -168.8 | 0 | 0 | 0 | 0 | 108.5 | L890 I909 E932 A933 F936 V946 W947 Y948 V960 | L890-V918 HydrophobicContact CD1-CG1 4.02Å; I909-V918 HydrophobicContact CD1-CB 3.97Å; I909-V918 HydrophobicContact CD1-CG2 3.97Å; V918-E932 CarbonylContact O-C 3.57Å; V918-E932 WeakPolarHBondContact O-CA 3.18Å; V918-A933 HydrophobicContact CG1-CB 4.06Å; V918-A933 PolarHBondContact O-N 3.48Å; V918-F936 HydrophobicContact CG1-CE1 4.46Å; V918-V946 HydrophobicContact CG1-CG1 3.64Å; V918-W947 CarbonylContact C-O 3.56Å; V918-W947 VanDerWaalsContact CA-O 3.3Å; V918-W947 WeakPolarHBondContact CA-O 3.41Å; V918-W947 WeakPolarHBondContact CG1-O 3.29Å; V918-Y948 HydrophobicContact CG2-CD2 4.36Å; V918-V960 HydrophobicContact CG2-CG2 4.09Å |
| 919 | V | 89.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 95.8 Ų | 95.8 | 0% | 0 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.8 | -172.4 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | R917 P931 E932 W947 E949 | R917-V919 HydrophobicContact CG-CG1 3.86Å; V919-P931 WeakPolarHBondContact CA-O 2.99Å; V919-E932 HydrophobicContact CG1-CG 4.14Å; V919-W947 HydrophobicContact CG2-CB 4.21Å; V919-W947 PolarHBondContact N-O 2.96Å; V919-W947 PolarHBondContact O-N 2.83Å; V919-E949 HydrophobicContact CG2-CG 3.77Å |
| 920 | F | 87.9 | Confident | 71.7 | Confident | 54 Ų | 54 | 96.5 Ų | 96.5 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.5 | 166.1 | -66.7 | -76.1 | 0 | 0 | 0 | 111.4 | T930 P931 A933 F936 D940 I945 V946 | F920-T930 WeakPolarHBondContact O-CG2 3.26Å; F920-P931 HydrophobicContact CB-CG 4.26Å; F920-P931 HydrophobicContact CD2-CG 4.44Å; F920-P931 PolarHBondContact N-O 3.1Å; F920-A933 HydrophobicContact CD2-CB 3.83Å; F920-A933 HydrophobicContact CE1-CB 4.41Å; F920-A933 HydrophobicContact CE2-CB 3.55Å; F920-A933 HydrophobicContact CG-CB 4.39Å; F920-A933 HydrophobicContact CZ-CB 3.88Å; F920-F936 HydrophobicContact CE1-CB 4.1Å; F920-F936 HydrophobicContact CZ-CB 3.9Å; F920-D940 HydrophobicContact CE1-CB 4.18Å; F920-I945 CarbonylContact C-O 3.52Å; F920-I945 VanDerWaalsContact CA-O 3.27Å; F920-I945 WeakPolarHBondContact CA-O 3.49Å; F920-I945 HydrophobicContact CD1-CD1 3.92Å; F920-I945 HydrophobicContact CD1-CG1 4.11Å; F920-I945 HydrophobicContact CE1-CD1 4.19Å; F920-I945 HydrophobicContact CE1-CG1 4.49Å; F920-V946 HydrophobicContact CD1-CG2 4.24Å; F920-V946 HydrophobicContact CE1-CG2 3.93Å |
| 921 | K | 75.9 | Confident | 71.2 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | trans | -142.4 | 114.5 | -174.6 | -159.1 | 169.9 | -172.9 | 169.7 | 0 | 110.4 | S887 T930 I945 W947 E949 | S887-K921 PolarHBondContact OG-NZ 2.85Å; K921-T930 HydrophobicContact CB-CG2 4.38Å; K921-T930 HydrophobicContact CG-CG2 4.1Å; K921-I945 PolarHBondContact N-O 2.78Å; K921-W947 HydrophobicContact CB-CB 4.33Å; K921-W947 HydrophobicContact CB-CD2 4.42Å; K921-W947 HydrophobicContact CB-CG 3.89Å; K921-W947 HydrophobicContact CD-CD2 4.23Å; K921-W947 HydrophobicContact CD-CE3 4.44Å; K921-W947 HydrophobicContact CD-CG 4.27Å; K921-W947 PolarHBondContact O-NE1 3.05Å; K921-E949 IonicContact NZ-OE1 3.12Å; K921-E949 PolarHBondContact NZ-OE1 2.9Å | ||
| 922 | R | 74.2 | Confident | 70.6 | Confident | 192 Ų | 192 | 99.6 Ų | 99.6 | 73% | 0.725 | 52% | 0.516 | S | S | * | . | trans | -92.2 | 137.7 | 178.7 | -73.8 | -178.2 | 174 | 170.9 | -1 | 110.8 | N924 G925 I945 | R922-N924 PolarHBondContact O-N 3.27Å; R922-G925 PolarHBondContact O-N 3.11Å; R922-I945 HydrophobicContact CG-CG2 4.1Å | ||
| 923 | R | 59.9 | Low | 70.5 | Confident | 246 Ų | 246 | 92.7 Ų | 92.7 | 93% | 0.928 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -27.4 | -169.1 | -153.7 | 173.6 | -167.8 | 167 | 3.2 | 115.8 | ||
| 924 | N | 56.1 | Low | 70.5 | Confident | 161 Ų | 161 | 96.2 Ų | 96.2 | 86% | 0.861 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 24.6 | 177.4 | -65.1 | 8 | 0 | 0 | 0 | 112.6 | R922 | R922-N924 PolarHBondContact O-N 3.27Š|
| 925 | G | 49.7 | Very low | 70.7 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 58% | 0.577 | 49% | 0.486 | S | S | * | . | trans | -78.8 | 125 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R922 | R922-G925 PolarHBondContact O-N 3.11Š| ||
| 926 | L | 44.4 | Very low | 71 | Confident | 168 Ų | 168 | 86.1 Ų | 86.1 | 88% | 0.88 | 47% | 0.468 | S | S | * | . | trans | -62.7 | 160.2 | 170.3 | -79.9 | 157.7 | 0 | 0 | 0 | 111.6 | G928 | L926-G928 VanDerWaalsContact C-N 3.27Å; L926-G928 PolarHBondContact O-N 2.71Å | ||
| 927 | T | 41.7 | Very low | 71.3 | Confident | 154 Ų | 154 | 85.9 Ų | 85.9 | 95% | 0.945 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -68.4 | 69.9 | -170.9 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 928 | G | 45.8 | Very low | 71.2 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 58% | 0.577 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -117 | 162 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L926 T930 | L926-G928 VanDerWaalsContact C-N 3.27Å; L926-G928 PolarHBondContact O-N 2.71Å; G928-T930 PolarHBondContact O-N 2.92Å |
| 929 | S | 54.1 | Low | 71.1 | Confident | 124 Ų | 124 | 88 Ų | 88 | 87% | 0.867 | 47% | 0.47 | S | S | * | . | trans | -45.4 | 117.2 | -176.1 | 179.1 | 0 | 0 | 0 | 0 | 113.1 | P931 | S929-P931 WeakPolarHBondContact O-CD 3.19Š| ||
| 930 | T | 58.6 | Low | 71.1 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 28% | 0.276 | 48% | 0.479 | S | S | . | . | trans | -79.1 | 114.7 | 171.2 | 37.3 | 0 | 0 | 0 | 0 | 109.1 | F920 K921 G928 | F920-T930 WeakPolarHBondContact O-CG2 3.26Å; K921-T930 HydrophobicContact CB-CG2 4.38Å; K921-T930 HydrophobicContact CG-CG2 4.1Å; G928-T930 PolarHBondContact O-N 2.92Å | ||
| 931 | P | 73.5 | Confident | 71.1 | Confident | 77 Ų | 77 | 87.2 Ų | 87.2 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | trans | -74.3 | 143.7 | -176.1 | 29.5 | -33.5 | 0 | 0 | 0 | 111.4 | V919 F920 S929 | V919-P931 WeakPolarHBondContact CA-O 2.99Å; F920-P931 HydrophobicContact CB-CG 4.26Å; F920-P931 HydrophobicContact CD2-CG 4.44Å; F920-P931 PolarHBondContact N-O 3.1Å; S929-P931 WeakPolarHBondContact O-CD 3.19Å | ||
| 932 | E | 71.9 | Confident | 71.5 | Confident | 117 Ų | 117 | 88.6 Ų | 88.6 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 137.3 | 179.5 | -69.1 | 179.7 | 144.7 | 0 | 0 | 112.1 | R917 V918 V919 T934 | R917-E932 WeakPolarHBondContact CB-OE1 3.2Å; R917-E932 VanDerWaalsContact CD-OE1 3.24Å; R917-E932 WeakPolarHBondContact CD-OE1 3.28Å; V918-E932 CarbonylContact O-C 3.57Å; V918-E932 WeakPolarHBondContact O-CA 3.18Å; V919-E932 HydrophobicContact CG1-CG 4.14Å; E932-T934 PolarHBondContact O-N 3.18Å; E932-T934 VanDerWaalsContact O-N 3.17Å |
| 933 | A | 80.5 | Confident | 72.1 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.008 | 47% | 0.467 | C | S | . | . | trans | -92.6 | 67.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112 | I909 V918 F920 T935 F936 | I909-A933 VanDerWaalsContact CD1-O 3.3Å; I909-A933 WeakPolarHBondContact CD1-O 3.49Å; V918-A933 HydrophobicContact CG1-CB 4.06Å; V918-A933 PolarHBondContact O-N 3.48Å; F920-A933 HydrophobicContact CD2-CB 3.83Å; F920-A933 HydrophobicContact CE1-CB 4.41Å; F920-A933 HydrophobicContact CE2-CB 3.55Å; F920-A933 HydrophobicContact CG-CB 4.39Å; F920-A933 HydrophobicContact CZ-CB 3.88Å; A933-T935 PolarHBondContact O-N 3.08Å; A933-F936 HydrophobicContact CB-CD1 4.06Å | ||
| 934 | T | 84.4 | Confident | 73.2 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -58.9 | -34.4 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | I909 E932 | I909-T934 PolarHBondContact N-O 2.62Å; E932-T934 PolarHBondContact O-N 3.18Å; E932-T934 VanDerWaalsContact O-N 3.17Å |
| 935 | T | 88.6 | Confident | 74.7 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.7 | 166.2 | 58.3 | 0 | 0 | 0 | 0 | 111 | Y907 K908 A933 | Y907-T935 VanDerWaalsContact O-CA 3.24Å; Y907-T935 WeakPolarHBondContact O-CA 3.21Å; K908-T935 HydrophobicContact CB-CG2 3.94Å; K908-T935 HydrophobicContact CD-CG2 4.15Å; K908-T935 HydrophobicContact CG-CG2 3.84Å; A933-T935 PolarHBondContact O-N 3.08Å |
| 936 | F | 91.2 | Very high | 76.7 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 171.3 | 173.9 | 53 | -88.6 | 0 | 0 | 0 | 109.6 | L895 Y907 I909 V918 F920 A933 D940 I941 V946 I962 | L895-F936 HydrophobicContact CD2-CE2 3.66Å; L895-F936 HydrophobicContact CD2-CZ 3.69Å; Y907-F936 VanDerWaalsContact CB-CE2 3.47Å; Y907-F936 HydrophobicContact CD1-CE2 4.31Å; Y907-F936 AromaticContact CD2-CD2 3.79Å; Y907-F936 HydrophobicContact CD2-CD2 3.79Å; Y907-F936 AromaticContact CD2-CE2 3.81Å; Y907-F936 HydrophobicContact CD2-CE2 3.81Å; Y907-F936 AromaticContact CG-CD2 3.99Å; Y907-F936 HydrophobicContact CG-CD2 3.99Å; Y907-F936 AromaticContact CG-CE2 3.6Å; Y907-F936 HydrophobicContact CG-CE2 3.6Å; Y907-F936 HydrophobicContact CG-CZ 4.25Å; Y907-F936 PolarHBondContact N-O 2.73Å; Y907-F936 PolarHBondContact O-N 3.28Å; Y907-F936 VanDerWaalsContact O-O 3.12Å; I909-F936 HydrophobicContact CG1-CE1 4.46Å; V918-F936 HydrophobicContact CG1-CE1 4.46Å; F920-F936 HydrophobicContact CE1-CB 4.1Å; F920-F936 HydrophobicContact CZ-CB 3.9Å; A933-F936 HydrophobicContact CB-CD1 4.06Å; F936-D940 HydrophobicContact CB-CB 4.24Å; F936-I941 HydrophobicContact CD2-CD1 4.1Å; F936-I941 HydrophobicContact CD2-CG1 3.98Å; F936-I941 HydrophobicContact CE2-CD1 3.93Å; F936-I941 HydrophobicContact CE2-CG1 4.14Å; F936-V946 HydrophobicContact CB-CG2 4Å; F936-V946 HydrophobicContact CD1-CG1 4.3Å; F936-V946 HydrophobicContact CD2-CG1 4.41Å; F936-V946 HydrophobicContact CD2-CG2 4.16Å; F936-V946 HydrophobicContact CE1-CG1 4.41Å; F936-V946 HydrophobicContact CG-CG1 4.3Å; F936-V946 HydrophobicContact CG-CG2 4.1Å; F936-I962 HydrophobicContact CZ-CD1 4.4Å |
| 937 | S | 90 | Very high | 78.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 168.9 | -175.5 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | F905 R939 D940 I941 | F905-S937 CarbonylContact O-C 3.57Å; F905-S937 WeakPolarHBondContact O-CA 3.19Å; S937-R939 PolarHBondContact O-N 3.16Å; S937-R939 VanDerWaalsContact O-N 3.15Å; S937-R939 WeakPolarHBondContact OG-CB 3.3Å; S937-R939 PolarHBondContact OG-N 3.04Å; S937-D940 WeakPolarHBondContact CA-OD2 3.21Å; S937-D940 WeakPolarHBondContact CB-OD2 3.46Å; S937-D940 PolarHBondContact N-OD2 3.03Å; S937-D940 PolarHBondContact O-N 3.25Å; S937-D940 PolarHBondContact OG-N 2.87Å; S937-D940 PolarHBondContact OG-OD2 3.06Å; S937-I941 PolarHBondContact O-N 2.89Å |
| 938 | T | 88.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.4 | -29.2 | 172 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F896 F905 Y907 N942 | F896-T938 HydrophobicContact CD2-CG2 4Å; F896-T938 HydrophobicContact CE2-CG2 3.51Å; F896-T938 HydrophobicContact CZ-CG2 4.42Å; F905-T938 PolarHBondContact N-OG1 2.92Å; F905-T938 VanDerWaalsContact N-OG1 3.14Å; F905-T938 PolarHBondContact O-N 3.4Å; Y907-T938 PolarHBondContact OH-OG1 2.93Å; T938-N942 WeakPolarHBondContact O-CB 3.16Å; T938-N942 PolarHBondContact O-N 2.98Å; T938-N942 VanDerWaalsContact O-N 3.11Å; T938-N942 PolarHBondContact O-ND2 3.01Å |
| 939 | R | 86.3 | Confident | 83.4 | Confident | 161 Ų | 161 | 50.4 Ų | 50.4 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.9 | -47.1 | 173.2 | -174 | -178.2 | -175.8 | 143.3 | 10.8 | 112.5 | S937 I941 N942 E943 | S937-R939 PolarHBondContact O-N 3.16Å; S937-R939 VanDerWaalsContact O-N 3.15Å; S937-R939 WeakPolarHBondContact OG-CB 3.3Å; S937-R939 PolarHBondContact OG-N 3.04Å; R939-I941 VanDerWaalsContact C-N 3.28Å; R939-I941 PolarHBondContact O-N 2.76Å; R939-N942 CarbonylContact O-C 3.58Å; R939-N942 PolarHBondContact O-N 3.01Å; R939-N942 VanDerWaalsContact O-N 3.1Å; R939-E943 HydrophobicContact CG-CG 4.37Å; R939-E943 WeakPolarHBondContact CG-OE1 3.12Å; R939-E943 IonicContact CZ-OE1 3.1Å; R939-E943 IonicContact NE-OE1 2.58Å; R939-E943 PolarHBondContact NE-OE1 2.82Å; R939-E943 IonicContact NH2-OE1 2.69Å; R939-E943 PolarHBondContact NH2-OE1 3.31Å; R939-E943 WeakPolarHBondContact O-CG 3.49Å; R939-E943 PolarHBondContact O-N 2.87Å |
| 940 | D | 90.1 | Very high | 85 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -32.1 | -176.6 | -53.2 | -59.5 | 0 | 0 | 0 | 112.2 | F920 F936 S937 G944 I945 V946 | F920-D940 HydrophobicContact CE1-CB 4.18Å; F936-D940 HydrophobicContact CB-CB 4.24Å; S937-D940 WeakPolarHBondContact CA-OD2 3.21Å; S937-D940 WeakPolarHBondContact CB-OD2 3.46Å; S937-D940 PolarHBondContact N-OD2 3.03Å; S937-D940 PolarHBondContact O-N 3.25Å; S937-D940 PolarHBondContact OG-N 2.87Å; S937-D940 PolarHBondContact OG-OD2 3.06Å; D940-G944 PolarHBondContact O-N 3.18Å; D940-I945 HydrophobicContact CB-CD1 4.03Å; D940-I945 HydrophobicContact CB-CG1 3.97Å; D940-I945 VanDerWaalsContact O-CG1 3.27Å; D940-I945 WeakPolarHBondContact O-CG1 3.07Å; D940-I945 PolarHBondContact O-N 2.76Å; D940-V946 HydrophobicContact CB-CG2 3.82Å |
| 941 | I | 88.3 | Confident | 86.2 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 170.5 | -61.4 | 173.4 | 0 | 0 | 0 | 110.4 | L895 Y907 F936 S937 R939 E943 G944 | L895-I941 HydrophobicContact CD2-CD1 4.47Å; L895-I941 HydrophobicContact CG-CD1 4.26Å; L895-I941 WeakPolarHBondContact O-CG2 3.34Å; Y907-I941 HydrophobicContact CD2-CD1 3.9Å; Y907-I941 HydrophobicContact CE1-CD1 4.38Å; Y907-I941 HydrophobicContact CE2-CD1 3.45Å; Y907-I941 VanDerWaalsContact CE2-CD1 3.45Å; F936-I941 HydrophobicContact CD2-CD1 4.1Å; F936-I941 HydrophobicContact CD2-CG1 3.98Å; F936-I941 HydrophobicContact CE2-CD1 3.93Å; F936-I941 HydrophobicContact CE2-CG1 4.14Å; S937-I941 PolarHBondContact O-N 2.89Å; R939-I941 VanDerWaalsContact C-N 3.28Å; R939-I941 PolarHBondContact O-N 2.76Å; I941-E943 VanDerWaalsContact C-N 3.34Å; I941-E943 PolarHBondContact O-N 2.69Å; I941-G944 PolarHBondContact O-N 2.83Å; I941-G944 VanDerWaalsContact O-N 3.11Å |
| 942 | N | 85.3 | Confident | 86.2 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -29.7 | 179.3 | -72 | -18 | 0 | 0 | 0 | 113 | T938 R939 G944 | T938-N942 WeakPolarHBondContact O-CB 3.16Å; T938-N942 PolarHBondContact O-N 2.98Å; T938-N942 VanDerWaalsContact O-N 3.11Å; T938-N942 PolarHBondContact O-ND2 3.01Å; R939-N942 CarbonylContact O-C 3.58Å; R939-N942 PolarHBondContact O-N 3.01Å; R939-N942 VanDerWaalsContact O-N 3.1Å; N942-G944 PolarHBondContact O-N 2.94Å |
| 943 | E | 86.1 | Confident | 86.4 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | 172.7 | -70.1 | -176 | -164.3 | 0 | 0 | 112.7 | R939 I941 I945 | R939-E943 HydrophobicContact CG-CG 4.37Å; R939-E943 WeakPolarHBondContact CG-OE1 3.12Å; R939-E943 IonicContact CZ-OE1 3.1Å; R939-E943 IonicContact NE-OE1 2.58Å; R939-E943 PolarHBondContact NE-OE1 2.82Å; R939-E943 IonicContact NH2-OE1 2.69Å; R939-E943 PolarHBondContact NH2-OE1 3.31Å; R939-E943 WeakPolarHBondContact O-CG 3.49Å; R939-E943 PolarHBondContact O-N 2.87Å; I941-E943 VanDerWaalsContact C-N 3.34Å; I941-E943 PolarHBondContact O-N 2.69Å; E943-I945 VanDerWaalsContact C-N 3.3Å; E943-I945 HydrophobicContact CB-CG1 4.5Å; E943-I945 HydrophobicContact CB-CG2 4.48Å; E943-I945 PolarHBondContact O-N 3.15Å |
| 944 | G | 82.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 20.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | M889 D940 I941 N942 W947 | M889-G944 VanDerWaalsContact SD-O 3.4Å; D940-G944 PolarHBondContact O-N 3.18Å; I941-G944 PolarHBondContact O-N 2.83Å; I941-G944 VanDerWaalsContact O-N 3.11Å; N942-G944 PolarHBondContact O-N 2.94Å; G944-W947 PolarHBondContact O-NE1 3.09Å |
| 945 | I | 88.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | trans | -94.8 | -10.2 | -173.3 | 59.4 | 166 | 0 | 0 | 0 | 114.2 | F920 K921 R922 D940 E943 | F920-I945 CarbonylContact C-O 3.52Å; F920-I945 VanDerWaalsContact CA-O 3.27Å; F920-I945 WeakPolarHBondContact CA-O 3.49Å; F920-I945 HydrophobicContact CD1-CD1 3.92Å; F920-I945 HydrophobicContact CD1-CG1 4.11Å; F920-I945 HydrophobicContact CE1-CD1 4.19Å; F920-I945 HydrophobicContact CE1-CG1 4.49Å; K921-I945 PolarHBondContact N-O 2.78Å; R922-I945 HydrophobicContact CG-CG2 4.1Å; D940-I945 HydrophobicContact CB-CD1 4.03Å; D940-I945 HydrophobicContact CB-CG1 3.97Å; D940-I945 VanDerWaalsContact O-CG1 3.27Å; D940-I945 WeakPolarHBondContact O-CG1 3.07Å; D940-I945 PolarHBondContact O-N 2.76Å; E943-I945 VanDerWaalsContact C-N 3.3Å; E943-I945 HydrophobicContact CB-CG1 4.5Å; E943-I945 HydrophobicContact CB-CG2 4.48Å; E943-I945 PolarHBondContact O-N 3.15Å | ||
| 946 | V | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130 | 178.8 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | L890 V918 F920 F936 D940 | L890-V946 HydrophobicContact CB-CB 4.31Å; L890-V946 HydrophobicContact CB-CG1 4.23Å; L890-V946 HydrophobicContact CD1-CG1 3.94Å; L890-V946 HydrophobicContact CG-CG1 4.32Å; L890-V946 PolarHBondContact N-O 3.17Å; V918-V946 HydrophobicContact CG1-CG1 3.64Å; F920-V946 HydrophobicContact CD1-CG2 4.24Å; F920-V946 HydrophobicContact CE1-CG2 3.93Å; F936-V946 HydrophobicContact CB-CG2 4Å; F936-V946 HydrophobicContact CD1-CG1 4.3Å; F936-V946 HydrophobicContact CD2-CG1 4.41Å; F936-V946 HydrophobicContact CD2-CG2 4.16Å; F936-V946 HydrophobicContact CE1-CG1 4.41Å; F936-V946 HydrophobicContact CG-CG1 4.3Å; F936-V946 HydrophobicContact CG-CG2 4.1Å; D940-V946 HydrophobicContact CB-CG2 3.82Å |
| 947 | W | 91.2 | Very high | 83.4 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.2 | -176.2 | -71.1 | 64.6 | 0 | 0 | 0 | 111.4 | K888 M889 V918 V919 K921 G944 | K888-W947 CarbonylContact O-C 3.55Å; K888-W947 WeakPolarHBondContact O-CA 2.95Å; M889-W947 HydrophobicContact CB-CD2 3.91Å; M889-W947 HydrophobicContact CB-CE3 4.26Å; M889-W947 HydrophobicContact CB-CG 4.45Å; M889-W947 HydrophobicContact CB-CH2 4.13Å; M889-W947 HydrophobicContact CB-CZ2 3.77Å; M889-W947 HydrophobicContact CB-CZ3 4.36Å; M889-W947 HydrophobicContact CG-CD2 4.41Å; M889-W947 HydrophobicContact CG-CZ2 4.11Å; M889-W947 HydrophobicContact SD-CZ2 4.27Å; V918-W947 CarbonylContact C-O 3.56Å; V918-W947 VanDerWaalsContact CA-O 3.3Å; V918-W947 WeakPolarHBondContact CA-O 3.41Å; V918-W947 WeakPolarHBondContact CG1-O 3.29Å; V919-W947 HydrophobicContact CG2-CB 4.21Å; V919-W947 PolarHBondContact N-O 2.96Å; V919-W947 PolarHBondContact O-N 2.83Å; K921-W947 HydrophobicContact CB-CB 4.33Å; K921-W947 HydrophobicContact CB-CD2 4.42Å; K921-W947 HydrophobicContact CB-CG 3.89Å; K921-W947 HydrophobicContact CD-CD2 4.23Å; K921-W947 HydrophobicContact CD-CE3 4.44Å; K921-W947 HydrophobicContact CD-CG 4.27Å; K921-W947 PolarHBondContact O-NE1 3.05Å; G944-W947 PolarHBondContact O-NE1 3.09Å |
| 948 | Y | 92.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.5 | 163.2 | 178.1 | -91.4 | 0 | 0 | 0 | 110 | V882 S887 K888 A913 R915 R917 V918 H950 D958 I985 | V882-Y948 HydrophobicContact CG1-CD1 4.15Å; V882-Y948 HydrophobicContact CG1-CE1 4.03Å; S887-Y948 CarbonylContact C-O 2.89Å; S887-Y948 WeakPolarHBondContact CA-O 3.38Å; S887-Y948 WeakPolarHBondContact CB-O 3.16Å; K888-Y948 PolarHBondContact N-O 2.72Å; K888-Y948 PolarHBondContact O-N 3.44Å; A913-Y948 HydrophobicContact CB-CE2 3.99Å; R915-Y948 PolarHBondContact O-OH 3.13Å; R917-Y948 WeakPolarHBondContact O-CA 3.02Å; V918-Y948 HydrophobicContact CG2-CD2 4.36Å; Y948-H950 HydrophobicContact CE1-CB 4.06Å; Y948-D958 PolarHBondContact OH-OD2 3Å; Y948-D958 VanDerWaalsContact OH-OD2 3.13Å; Y948-I985 HydrophobicContact CD1-CG1 4.38Å; Y948-I985 HydrophobicContact CD1-CG2 4.12Å; Y948-I985 HydrophobicContact CD2-CD1 4.04Å; Y948-I985 HydrophobicContact CD2-CG1 3.95Å; Y948-I985 HydrophobicContact CE1-CG1 4.27Å; Y948-I985 HydrophobicContact CE1-CG2 3.68Å; Y948-I985 HydrophobicContact CE2-CD1 3.7Å; Y948-I985 HydrophobicContact CE2-CG1 3.81Å; Y948-I985 HydrophobicContact CG-CG1 4.23Å |
| 949 | E | 89.3 | Confident | 83.3 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.8 | 171.7 | -52.8 | -167.7 | 134.5 | 0 | 0 | 109.4 | G916 R917 V919 K921 | G916-E949 CarbonylContact C-O 3.59Å; G916-E949 WeakPolarHBondContact CA-O 2.89Å; R917-E949 HydrophobicContact CG-CB 4.37Å; R917-E949 IonicContact CZ-OE2 3.08Å; R917-E949 PolarHBondContact N-O 3.31Å; R917-E949 IonicContact NE-OE2 2.61Å; R917-E949 PolarHBondContact NE-OE2 3.16Å; R917-E949 IonicContact NH2-OE2 3.75Å; R917-E949 PolarHBondContact NH2-OE2 2.68Å; R917-E949 PolarHBondContact O-N 2.89Å; V919-E949 HydrophobicContact CG2-CG 3.77Å; K921-E949 IonicContact NZ-OE1 3.12Å; K921-E949 PolarHBondContact NZ-OE1 2.9Å |
| 950 | H | 87.5 | Confident | 83.4 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 151.2 | 173.7 | -172.4 | -120.9 | 0 | 0 | 0 | 111.2 | V882 G885 S886 R915 Y948 G952 S953 S955 | V882-H950 HydrophobicContact CG1-CB 4.39Å; G885-H950 PolarHBondContact N-ND1 3.07Å; G885-H950 VanDerWaalsContact N-ND1 3.17Å; S886-H950 PolarHBondContact O-N 3.46Å; R915-H950 PolarHBondContact O-CD2 3.11Å; Y948-H950 HydrophobicContact CE1-CB 4.06Å; H950-G952 VanDerWaalsContact C-N 3.34Å; H950-G952 PolarHBondContact ND1-N 3.02Å; H950-S953 PolarHBondContact CE1-O 2.96Å; H950-S955 PolarHBondContact NE2-OG 2.64Å; H950-S955 VanDerWaalsContact NE2-OG 3.08Å |
| 951 | D | 84.3 | Confident | 83.3 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | trans | -76.7 | -17.9 | -179.6 | 70 | 3.6 | 0 | 0 | 0 | 114.4 | R915 S953 | R915-D951 VanDerWaalsContact CA-OD2 3.3Å; R915-D951 WeakPolarHBondContact CA-OD2 3.18Å; R915-D951 PolarHBondContact O-N 2.81Å; D951-S953 VanDerWaalsContact OD1-CB 3.29Å; D951-S953 WeakPolarHBondContact OD1-CB 3.34Å; D951-S953 PolarHBondContact OD1-N 2.74Å; D951-S953 PolarHBondContact OD1-OG 3.3Å; D951-S953 PolarHBondContact OD2-OG 2.78Å | ||
| 952 | G | 73.8 | Confident | 83.2 | Confident | 40 Ų | 40 | 50 Ų | 50 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | trans | 88.2 | 18.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H950 | H950-G952 VanDerWaalsContact C-N 3.34Å; H950-G952 PolarHBondContact ND1-N 3.02Å | ||
| 953 | S | 75.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -82.5 | 162.4 | 169.7 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | R915 H950 D951 S955 | R915-S953 WeakPolarHBondContact CD-OG 2.97Å; H950-S953 PolarHBondContact CE1-O 2.96Å; D951-S953 VanDerWaalsContact OD1-CB 3.29Å; D951-S953 WeakPolarHBondContact OD1-CB 3.34Å; D951-S953 PolarHBondContact OD1-N 2.74Å; D951-S953 PolarHBondContact OD1-OG 3.3Å; D951-S953 PolarHBondContact OD2-OG 2.78Å; S953-S955 PolarHBondContact O-N 3.38Å |
| 954 | E | 67.2 | Low | 83.2 | Confident | 162 Ų | 162 | 40.8 Ų | 40.8 | 76% | 0.757 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -73.3 | 66 | 174.6 | -67.6 | 166.1 | 168.6 | 0 | 0 | 110.7 | ||
| 955 | S | 67.1 | Low | 83.3 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | trans | -121.7 | 129.4 | -179.2 | 104.7 | 0 | 0 | 0 | 0 | 109.7 | R915 H950 S953 I987 | R915-S955 WeakPolarHBondContact CB-OG 3.43Å; R915-S955 WeakPolarHBondContact CG-OG 3.27Å; H950-S955 PolarHBondContact NE2-OG 2.64Å; H950-S955 VanDerWaalsContact NE2-OG 3.08Å; S953-S955 PolarHBondContact O-N 3.38Å; S955-I987 WeakPolarHBondContact O-CB 3.22Å; S955-I987 VanDerWaalsContact O-CG2 3.3Å; S955-I987 WeakPolarHBondContact O-CG2 3.08Å | ||
| 956 | R | 70.2 | Confident | 83.1 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -93.7 | -10.8 | -178.4 | -66.9 | 179.8 | 174.1 | -131.7 | -2.2 | 113.7 | I987 D1028 F1033 | R956-I987 PolarHBondContact O-N 3.47Å; R956-D1028 IonicContact CZ-OD2 3.45Å; R956-D1028 IonicContact NE-OD2 3.33Å; R956-D1028 PolarHBondContact NE-OD2 3.36Å; R956-D1028 IonicContact NH2-OD2 3.87Å; R956-D1028 PolarHBondContact NH2-OD2 3.34Å; R956-F1033 VanDerWaalsContact CD-CE2 3.43Å; R956-F1033 VanDerWaalsContact CD-CZ 3.47Å; R956-F1033 VanDerWaalsContact NH1-CD1 3.3Å |
| 957 | Q | 78.3 | Confident | 82.7 | Confident | 148 Ų | 148 | 40.4 Ų | 40.4 | 69% | 0.692 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 142.2 | -178.5 | -61.9 | -175.3 | 13.9 | 0 | 0 | 112 | I985 | Q957-I985 WeakPolarHBondContact CA-O 3.33Å |
| 958 | D | 87.9 | Confident | 82 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 172.4 | 164.9 | -161.3 | 7.9 | 0 | 0 | 0 | 111 | A913 K914 R915 Y948 I985 I987 | A913-D958 WeakPolarHBondContact CB-OD2 3.42Å; K914-D958 WeakPolarHBondContact CB-OD1 3.32Å; K914-D958 VanDerWaalsContact N-CG 3.29Å; K914-D958 PolarHBondContact N-OD1 3.49Å; K914-D958 PolarHBondContact N-OD2 3.21Å; R915-D958 WeakPolarHBondContact CA-OD2 3.32Å; R915-D958 HydrophobicContact CB-CB 4.04Å; R915-D958 PolarHBondContact N-OD2 3.34Å; Y948-D958 PolarHBondContact OH-OD2 3Å; Y948-D958 VanDerWaalsContact OH-OD2 3.13Å; D958-I985 HydrophobicContact CB-CB 4.24Å; D958-I985 HydrophobicContact CB-CD1 4.42Å; D958-I985 PolarHBondContact N-O 2.73Å; D958-I985 PolarHBondContact O-N 3.24Å; D958-I985 VanDerWaalsContact O-O 3.1Å; D958-I987 HydrophobicContact CB-CD1 4.15Å |
| 959 | K | 87.7 | Confident | 80.9 | Confident | 81 Ų | 81 | 49 Ų | 49 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 140 | -179.7 | 59.9 | -180 | -171.4 | 175.9 | 0 | 113.4 | W982 L983 | K959-W982 HydrophobicContact CB-CE3 3.76Å; K959-W982 HydrophobicContact CB-CZ3 4.31Å; K959-W982 HydrophobicContact CD-CD2 3.99Å; K959-W982 HydrophobicContact CD-CE3 3.56Å; K959-W982 HydrophobicContact CD-CH2 4.49Å; K959-W982 HydrophobicContact CD-CZ3 3.84Å; K959-W982 HydrophobicContact CG-CD2 4.45Å; K959-W982 HydrophobicContact CG-CE3 3.56Å; K959-W982 HydrophobicContact CG-CZ3 3.69Å; K959-L983 VanDerWaalsContact CA-O 3.27Å; K959-L983 WeakPolarHBondContact CA-O 3.21Å |
| 960 | V | 88.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.7 | 175.2 | 180 | 0 | 0 | 0 | 0 | 108.5 | I909 S911 A913 V918 I962 W982 L983 I985 | I909-V960 HydrophobicContact CB-CG1 4.49Å; I909-V960 HydrophobicContact CD1-CG1 4Å; I909-V960 HydrophobicContact CG1-CG1 4.01Å; I909-V960 HydrophobicContact CG2-CG1 3.83Å; S911-V960 WeakPolarHBondContact O-CG1 3.49Å; A913-V960 HydrophobicContact CB-CG2 3.58Å; V918-V960 HydrophobicContact CG2-CG2 4.09Å; V960-I962 HydrophobicContact CB-CG1 4.47Å; V960-I962 HydrophobicContact CG1-CD1 4.25Å; V960-I962 HydrophobicContact CG1-CG1 3.83Å; V960-W982 CarbonylContact O-C 3.6Å; V960-W982 WeakPolarHBondContact O-CA 3.04Å; V960-L983 HydrophobicContact CB-CB 4.47Å; V960-L983 PolarHBondContact N-O 2.76Å; V960-L983 PolarHBondContact O-N 3.28Å; V960-I985 HydrophobicContact CG2-CD1 4Å |
| 961 | Y | 87 | Confident | 78.9 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.6 | 175 | -167.7 | -138.8 | 0 | 0 | 0 | 109.2 | L910 S911 S980 F981 W982 | L910-Y961 HydrophobicContact CB-CD1 3.54Å; L910-Y961 HydrophobicContact CB-CE1 4.16Å; L910-Y961 HydrophobicContact CB-CG 4.24Å; L910-Y961 HydrophobicContact CD1-CD1 3.94Å; L910-Y961 HydrophobicContact CD1-CE1 3.72Å; L910-Y961 HydrophobicContact CG-CD1 4.37Å; L910-Y961 PolarHBondContact N-O 3.25Å; S911-Y961 PolarHBondContact N-O 2.79Å; S911-Y961 PolarHBondContact O-N 3.3Å; Y961-S980 PolarHBondContact OH-OG 2.82Å; Y961-S980 VanDerWaalsContact OH-OG 3.13Å; Y961-F981 VanDerWaalsContact CD2-O 3.29Å; Y961-F981 WeakPolarHBondContact CD2-O 2.97Å; Y961-W982 AromaticContact CD2-CD1 3.88Å; Y961-W982 AromaticContact CD2-CD2 3.85Å; Y961-W982 HydrophobicContact CD2-CD2 3.85Å; Y961-W982 AromaticContact CD2-CE2 3.73Å; Y961-W982 HydrophobicContact CD2-CE3 4.49Å; Y961-W982 AromaticContact CD2-CG 3.96Å; Y961-W982 HydrophobicContact CD2-CG 3.96Å; Y961-W982 HydrophobicContact CD2-CZ2 4.3Å; Y961-W982 AromaticContact CD2-NE1 3.71Å; Y961-W982 AromaticContact CE2-NE1 3.99Å; Y961-W982 HydrophobicContact CG-CD2 4.23Å; Y961-W982 HydrophobicContact CG-CE3 4.49Å; Y961-W982 HydrophobicContact CG-CH2 4.44Å; Y961-W982 HydrophobicContact CG-CZ2 4.15Å |
| 962 | I | 87.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.9 | -172.4 | -55.8 | -177.8 | 0 | 0 | 0 | 109.3 | L895 Y907 K908 F936 V960 S980 F981 L983 | L895-I962 HydrophobicContact CD2-CD1 4.01Å; Y907-I962 HydrophobicContact CD1-CG2 4.27Å; K908-I962 WeakPolarHBondContact O-CA 2.88Å; F936-I962 HydrophobicContact CZ-CD1 4.4Å; V960-I962 HydrophobicContact CB-CG1 4.47Å; V960-I962 HydrophobicContact CG1-CD1 4.25Å; V960-I962 HydrophobicContact CG1-CG1 3.83Å; I962-S980 CarbonylContact O-C 3.05Å; I962-S980 VanDerWaalsContact O-CA 3.27Å; I962-S980 WeakPolarHBondContact O-CA 3.5Å; I962-F981 HydrophobicContact CB-CE2 4.45Å; I962-F981 PolarHBondContact N-O 2.71Å; I962-F981 PolarHBondContact O-N 3.01Å; I962-L983 HydrophobicContact CD1-CB 3.78Å; I962-L983 HydrophobicContact CD1-CD2 3.88Å; I962-L983 HydrophobicContact CD1-CG 4.45Å; I962-L983 HydrophobicContact CG1-CB 4.43Å |
| 963 | A | 82.5 | Confident | 78.3 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.7 | 161 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y907 K908 L910 K978 L979 | Y907-A963 CarbonylContact C-O 2.89Å; Y907-A963 WeakPolarHBondContact CA-O 3.48Å; K908-A963 PolarHBondContact N-O 2.76Å; K908-A963 PolarHBondContact O-N 3.01Å; L910-A963 HydrophobicContact CD1-CB 3.78Å; L910-A963 HydrophobicContact CD2-CB 4.29Å; L910-A963 HydrophobicContact CG-CB 3.94Å; A963-K978 HydrophobicContact CB-CG 4.35Å; A963-L979 CarbonylContact C-O 3.53Å; A963-L979 VanDerWaalsContact CA-O 3.25Å; A963-L979 WeakPolarHBondContact CA-O 3.47Å |
| 964 | V | 87.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.3 | 173.6 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | T897 F905 Q906 Y907 K978 L979 F981 | T897-V964 HydrophobicContact CG2-CG1 4.29Å; T897-V964 HydrophobicContact CG2-CG2 4.03Å; F905-V964 HydrophobicContact CB-CG2 3.63Å; F905-V964 HydrophobicContact CD1-CG2 3.88Å; F905-V964 HydrophobicContact CG-CG2 4.01Å; Q906-V964 WeakPolarHBondContact O-CA 3.33Å; Y907-V964 HydrophobicContact CD1-CB 4.01Å; Y907-V964 HydrophobicContact CD1-CG2 3.73Å; Y907-V964 HydrophobicContact CE1-CB 4.2Å; Y907-V964 HydrophobicContact CE1-CG2 3.58Å; Y907-V964 HydrophobicContact CG-CG2 4.32Å; V964-K978 WeakPolarHBondContact O-CA 3.04Å; V964-L979 HydrophobicContact CG1-CB 3.92Å; V964-L979 PolarHBondContact N-O 3.48Å; V964-L979 PolarHBondContact O-N 2.88Å; V964-F981 HydrophobicContact CB-CE1 4.38Å; V964-F981 HydrophobicContact CG1-CE1 3.83Å |
| 965 | S | 84.6 | Confident | 78.4 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 146.9 | 178.6 | -57 | 0 | 0 | 0 | 0 | 110.6 | F905 Q906 | F905-S965 CarbonylContact C-O 2.67Å; F905-S965 WeakPolarHBondContact CA-O 2.97Å; Q906-S965 PolarHBondContact N-O 3.45Å; Q906-S965 PolarHBondContact O-N 2.79Å |
| 966 | P | 83.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 141.8 | -178.4 | -22.6 | 32.2 | 0 | 0 | 0 | 113.1 | F902 F905 V973 E974 L977 | F902-P966 HydrophobicContact CB-CB 4.09Å; F902-P966 HydrophobicContact CD1-CB 3.65Å; F902-P966 HydrophobicContact CD1-CG 4.42Å; F902-P966 HydrophobicContact CD2-CB 3.87Å; F902-P966 HydrophobicContact CD2-CG 3.75Å; F902-P966 HydrophobicContact CE1-CB 3.96Å; F902-P966 HydrophobicContact CE2-CB 4.18Å; F902-P966 HydrophobicContact CE2-CG 3.95Å; F902-P966 HydrophobicContact CG-CB 3.6Å; F902-P966 HydrophobicContact CG-CG 4.02Å; F902-P966 HydrophobicContact CZ-CB 4.22Å; F902-P966 HydrophobicContact CZ-CG 4.35Å; F905-P966 HydrophobicContact CD1-CB 4.42Å; F905-P966 HydrophobicContact CD1-CG 4.27Å; F905-P966 HydrophobicContact CE1-CB 4.29Å; F905-P966 HydrophobicContact CE1-CG 3.9Å; P966-V973 WeakPolarHBondContact O-CA 3.18Å; P966-E974 HydrophobicContact CB-CB 4.27Å; P966-E974 HydrophobicContact CG-CB 4.35Å; P966-E974 PolarHBondContact O-N 3.38Å; P966-E974 VanDerWaalsContact O-N 3.09Å; P966-L977 WeakPolarHBondContact CD-O 3.45Å; P966-L977 HydrophobicContact CG-CB 3.78Å; P966-L977 HydrophobicContact CG-CD1 4.09Å |
| 967 | L | 83.1 | Confident | 78.1 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 106.5 | 175.5 | -166.9 | 70 | 0 | 0 | 0 | 109.9 | N904 N971 V973 | N904-L967 PolarHBondContact O-N 3.23Å; L967-N971 HydrophobicContact CD1-CB 4.35Å; L967-V973 HydrophobicContact CD1-CG2 3.89Å |
| 968 | I | 76.5 | Confident | 77.6 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 35% | 0.349 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 163.1 | -179.7 | -57.4 | 172.8 | 0 | 0 | 0 | 109.5 | F902 N971 V972 E974 | F902-I968 HydrophobicContact CE1-CG1 4.16Å; I968-N971 PolarHBondContact O-N 2.97Å; I968-N971 VanDerWaalsContact O-N 3.13Å; I968-V972 HydrophobicContact CB-CB 4.32Å; I968-V972 WeakPolarHBondContact CB-O 3.46Å; I968-V972 PolarHBondContact N-O 2.98Å; I968-E974 HydrophobicContact CD1-CB 4.16Å |
| 969 | Q | 68.1 | Low | 76.9 | Confident | 175 Ų | 175 | 68.3 Ų | 68.3 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -46.2 | 144.3 | 167.1 | -69.3 | -178 | -14.4 | 0 | 0 | 111.3 | N971 | Q969-N971 VanDerWaalsContact C-N 3.34Š|
| 970 | N | 68.6 | Low | 76.3 | Confident | 159 Ų | 159 | 67.1 Ų | 67.1 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 64.8 | 26.7 | -170.1 | -54.3 | -20.1 | 0 | 0 | 0 | 115.2 | V972 | N970-V972 PolarHBondContact O-N 2.73Š|
| 971 | N | 66.4 | Low | 75.9 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | 58.1 | 26.9 | 176.7 | -67.3 | -7.1 | 0 | 0 | 0 | 114.7 | L967 I968 Q969 | L967-N971 HydrophobicContact CD1-CB 4.35Å; I968-N971 PolarHBondContact O-N 2.97Å; I968-N971 VanDerWaalsContact O-N 3.13Å; Q969-N971 VanDerWaalsContact C-N 3.34Å |
| 972 | V | 75 | Confident | 75.7 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | I968 N970 | I968-V972 HydrophobicContact CB-CB 4.32Å; I968-V972 WeakPolarHBondContact CB-O 3.46Å; I968-V972 PolarHBondContact N-O 2.98Å; N970-V972 PolarHBondContact O-N 2.73Å |
| 973 | V | 71.6 | Confident | 75.7 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.1 | -179.2 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | P966 L967 D975 | P966-V973 WeakPolarHBondContact O-CA 3.18Å; L967-V973 HydrophobicContact CD1-CG2 3.89Å; V973-D975 PolarHBondContact O-N 2.6Å |
| 974 | E | 75.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | trans | -89.6 | 80.7 | 175.3 | -176.4 | 53.5 | -92.5 | 0 | 0 | 110.7 | P966 I968 R976 L977 | P966-E974 HydrophobicContact CB-CB 4.27Å; P966-E974 HydrophobicContact CG-CB 4.35Å; P966-E974 PolarHBondContact O-N 3.38Å; P966-E974 VanDerWaalsContact O-N 3.09Å; I968-E974 HydrophobicContact CD1-CB 4.16Å; E974-R976 PolarHBondContact O-N 3.35Å; E974-R976 VanDerWaalsContact OE1-CB 3.3Å; E974-R976 WeakPolarHBondContact OE1-CB 3.22Å; E974-R976 WeakPolarHBondContact OE1-CG 3.26Å; E974-R976 IonicContact OE1-CZ 3.75Å; E974-R976 PolarHBondContact OE1-N 3.11Å; E974-R976 IonicContact OE1-NE 3.4Å; E974-R976 PolarHBondContact OE1-NE 2.72Å; E974-R976 IonicContact OE1-NH2 2.57Å; E974-R976 PolarHBondContact OE1-NH2 3.45Å; E974-R976 IonicContact OE2-CZ 2.84Å; E974-R976 IonicContact OE2-NE 3.19Å; E974-R976 IonicContact OE2-NH2 3.9Å; E974-R976 PolarHBondContact OE2-NH2 3.45Å; E974-L977 HydrophobicContact CG-CB 4.46Å; E974-L977 HydrophobicContact CG-CD1 4.26Å; E974-L977 HydrophobicContact CG-CG 4.36Å; E974-L977 PolarHBondContact O-N 2.75Å | ||
| 975 | D | 67.6 | Low | 75.8 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -56.5 | -18 | -179.2 | -96.5 | -40.2 | 0 | 0 | 0 | 114 | V973 L977 | V973-D975 PolarHBondContact O-N 2.6Å; D975-L977 PolarHBondContact O-N 2.92Å |
| 976 | R | 67.5 | Low | 75.7 | Confident | 204 Ų | 204 | 80.1 Ų | 80.1 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -70 | -16.6 | 174.1 | -66.1 | 176.9 | -73.5 | -168.5 | -1.9 | 113.4 | E974 | E974-R976 PolarHBondContact O-N 3.35Å; E974-R976 VanDerWaalsContact OE1-CB 3.3Å; E974-R976 WeakPolarHBondContact OE1-CB 3.22Å; E974-R976 WeakPolarHBondContact OE1-CG 3.26Å; E974-R976 IonicContact OE1-CZ 3.75Å; E974-R976 PolarHBondContact OE1-N 3.11Å; E974-R976 IonicContact OE1-NE 3.4Å; E974-R976 PolarHBondContact OE1-NE 2.72Å; E974-R976 IonicContact OE1-NH2 2.57Å; E974-R976 PolarHBondContact OE1-NH2 3.45Å; E974-R976 IonicContact OE2-CZ 2.84Å; E974-R976 IonicContact OE2-NE 3.19Å; E974-R976 IonicContact OE2-NH2 3.9Å; E974-R976 PolarHBondContact OE2-NH2 3.45Å |
| 977 | L | 64.9 | Low | 75.4 | Confident | 51 Ų | 51 | 80.2 Ų | 80.2 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -114.6 | 48.1 | -179.6 | -70 | 175.3 | 0 | 0 | 0 | 111.6 | M899 F902 P966 E974 D975 | M899-L977 HydrophobicContact CE-CD2 4.36Å; M899-L977 HydrophobicContact SD-CD1 4.41Å; F902-L977 HydrophobicContact CD2-CD1 4.34Å; F902-L977 HydrophobicContact CE2-CD1 3.47Å; F902-L977 VanDerWaalsContact CE2-CD1 3.47Å; F902-L977 HydrophobicContact CZ-CD1 4.1Å; P966-L977 WeakPolarHBondContact CD-O 3.45Å; P966-L977 HydrophobicContact CG-CB 3.78Å; P966-L977 HydrophobicContact CG-CD1 4.09Å; E974-L977 HydrophobicContact CG-CB 4.46Å; E974-L977 HydrophobicContact CG-CD1 4.26Å; E974-L977 HydrophobicContact CG-CG 4.36Å; E974-L977 PolarHBondContact O-N 2.75Å; D975-L977 PolarHBondContact O-N 2.92Å |
| 978 | K | 67.6 | Low | 74.3 | Confident | 119 Ų | 119 | 82.7 Ų | 82.7 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | trans | -90.1 | 117.3 | 179.6 | -175.8 | 174.7 | -179 | 175.5 | 0 | 112.2 | A963 V964 | A963-K978 HydrophobicContact CB-CG 4.35Å; V964-K978 WeakPolarHBondContact O-CA 3.04Å | ||
| 979 | L | 71.7 | Confident | 73.6 | Confident | 57 Ų | 57 | 82 Ų | 82 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146.9 | 167.2 | -171.2 | 80.9 | 0 | 0 | 0 | 109.4 | L873 V875 A963 V964 F981 | L873-L979 HydrophobicContact CD2-CB 4.1Å; L873-L979 HydrophobicContact CD2-CD1 4.49Å; L873-L979 HydrophobicContact CD2-CD2 3.88Å; L873-L979 HydrophobicContact CD2-CG 4.37Å; V875-L979 HydrophobicContact CG2-CD2 3.64Å; A963-L979 CarbonylContact C-O 3.53Å; A963-L979 VanDerWaalsContact CA-O 3.25Å; A963-L979 WeakPolarHBondContact CA-O 3.47Å; V964-L979 HydrophobicContact CG1-CB 3.92Å; V964-L979 PolarHBondContact N-O 3.48Å; V964-L979 PolarHBondContact O-N 2.88Å; L979-F981 HydrophobicContact CD2-CD1 3.96Å; L979-F981 HydrophobicContact CD2-CE1 4.35Å; L979-F981 HydrophobicContact CG-CD1 4.42Å |
| 980 | S | 76.8 | Confident | 73 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.8 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | Y961 I962 | Y961-S980 PolarHBondContact OH-OG 2.82Å; Y961-S980 VanDerWaalsContact OH-OG 3.13Å; I962-S980 CarbonylContact O-C 3.05Å; I962-S980 VanDerWaalsContact O-CA 3.27Å; I962-S980 WeakPolarHBondContact O-CA 3.5Å |
| 981 | F | 79.1 | Confident | 72.2 | Confident | 27 Ų | 27 | 70 Ų | 70 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164.1 | -176.2 | 55.5 | -95.1 | 0 | 0 | 0 | 111.9 | V875 N877 L895 Y961 I962 V964 L979 | V875-F981 HydrophobicContact CG1-CD1 4.28Å; V875-F981 HydrophobicContact CG1-CE1 3.73Å; V875-F981 HydrophobicContact CG1-CE2 4.43Å; V875-F981 HydrophobicContact CG1-CZ 3.81Å; N877-F981 HydrophobicContact CB-CD2 4.17Å; N877-F981 HydrophobicContact CB-CE2 4.03Å; N877-F981 WeakPolarHBondContact OD1-CE2 3.48Å; L895-F981 HydrophobicContact CD1-CE2 3.8Å; L895-F981 HydrophobicContact CD1-CZ 3.82Å; Y961-F981 VanDerWaalsContact CD2-O 3.29Å; Y961-F981 WeakPolarHBondContact CD2-O 2.97Å; I962-F981 HydrophobicContact CB-CE2 4.45Å; I962-F981 PolarHBondContact N-O 2.71Å; I962-F981 PolarHBondContact O-N 3.01Å; V964-F981 HydrophobicContact CB-CE1 4.38Å; V964-F981 HydrophobicContact CG1-CE1 3.83Å; L979-F981 HydrophobicContact CD2-CD1 3.96Å; L979-F981 HydrophobicContact CD2-CE1 4.35Å; L979-F981 HydrophobicContact CG-CD1 4.42Å |
| 982 | W | 82.6 | Confident | 71.9 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.8 | 171.2 | -69.5 | 92.6 | 0 | 0 | 0 | 110 | N877 K959 V960 Y961 H984 | N877-W982 PolarHBondContact ND2-O 2.99Å; K959-W982 HydrophobicContact CB-CE3 3.76Å; K959-W982 HydrophobicContact CB-CZ3 4.31Å; K959-W982 HydrophobicContact CD-CD2 3.99Å; K959-W982 HydrophobicContact CD-CE3 3.56Å; K959-W982 HydrophobicContact CD-CH2 4.49Å; K959-W982 HydrophobicContact CD-CZ3 3.84Å; K959-W982 HydrophobicContact CG-CD2 4.45Å; K959-W982 HydrophobicContact CG-CE3 3.56Å; K959-W982 HydrophobicContact CG-CZ3 3.69Å; V960-W982 CarbonylContact O-C 3.6Å; V960-W982 WeakPolarHBondContact O-CA 3.04Å; Y961-W982 AromaticContact CD2-CD1 3.88Å; Y961-W982 AromaticContact CD2-CD2 3.85Å; Y961-W982 HydrophobicContact CD2-CD2 3.85Å; Y961-W982 AromaticContact CD2-CE2 3.73Å; Y961-W982 HydrophobicContact CD2-CE3 4.49Å; Y961-W982 AromaticContact CD2-CG 3.96Å; Y961-W982 HydrophobicContact CD2-CG 3.96Å; Y961-W982 HydrophobicContact CD2-CZ2 4.3Å; Y961-W982 AromaticContact CD2-NE1 3.71Å; Y961-W982 AromaticContact CE2-NE1 3.99Å; Y961-W982 HydrophobicContact CG-CD2 4.23Å; Y961-W982 HydrophobicContact CG-CE3 4.49Å; Y961-W982 HydrophobicContact CG-CH2 4.44Å; Y961-W982 HydrophobicContact CG-CZ2 4.15Å; W982-H984 PolarHBondContact O-CD2 3.33Å |
| 983 | L | 88.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 112.9 | 162.5 | 177.7 | 68.1 | 0 | 0 | 0 | 107.5 | N877 V880 L890 L895 K959 V960 I962 | N877-L983 WeakPolarHBondContact OD1-CA 2.83Å; N877-L983 VanDerWaalsContact OD1-CD1 3.23Å; N877-L983 WeakPolarHBondContact OD1-CD1 2.97Å; V880-L983 HydrophobicContact CG2-CD1 3.86Å; V880-L983 HydrophobicContact CG2-CD2 4.22Å; V880-L983 HydrophobicContact CG2-CG 4.17Å; L890-L983 HydrophobicContact CD1-CD2 4.1Å; L895-L983 HydrophobicContact CD2-CD2 4.42Å; K959-L983 VanDerWaalsContact CA-O 3.27Å; K959-L983 WeakPolarHBondContact CA-O 3.21Å; V960-L983 HydrophobicContact CB-CB 4.47Å; V960-L983 PolarHBondContact N-O 2.76Å; V960-L983 PolarHBondContact O-N 3.28Å; I962-L983 HydrophobicContact CD1-CB 3.78Å; I962-L983 HydrophobicContact CD1-CD2 3.88Å; I962-L983 HydrophobicContact CD1-CG 4.45Å; I962-L983 HydrophobicContact CG1-CB 4.43Å |
| 984 | H | 85.3 | Confident | 71 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 137.4 | 176.9 | -72.8 | -103.9 | 0 | 0 | 0 | 110.5 | T879 V880 W982 | T879-H984 CarbonylContact C-O 3.29Å; T879-H984 VanDerWaalsContact CA-O 3.31Å; T879-H984 WeakPolarHBondContact CA-O 3.37Å; T879-H984 HydrophobicContact CG2-CB 4.21Å; V880-H984 PolarHBondContact N-O 3.17Å; W982-H984 PolarHBondContact O-CD2 3.33Å |
| 985 | I | 87.6 | Confident | 71.2 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.8 | 169.2 | -59.8 | 97.4 | 0 | 0 | 0 | 107.6 | V880 V882 Y948 Q957 D958 V960 I987 | V880-I985 HydrophobicContact CB-CG1 4.09Å; V880-I985 CarbonylContact O-C 3.54Å; V880-I985 WeakPolarHBondContact O-CA 2.99Å; V880-I985 WeakPolarHBondContact O-CG2 3.16Å; V882-I985 HydrophobicContact CG1-CG2 3.98Å; Y948-I985 HydrophobicContact CD1-CG1 4.38Å; Y948-I985 HydrophobicContact CD1-CG2 4.12Å; Y948-I985 HydrophobicContact CD2-CD1 4.04Å; Y948-I985 HydrophobicContact CD2-CG1 3.95Å; Y948-I985 HydrophobicContact CE1-CG1 4.27Å; Y948-I985 HydrophobicContact CE1-CG2 3.68Å; Y948-I985 HydrophobicContact CE2-CD1 3.7Å; Y948-I985 HydrophobicContact CE2-CG1 3.81Å; Y948-I985 HydrophobicContact CG-CG1 4.23Å; Q957-I985 WeakPolarHBondContact CA-O 3.33Å; D958-I985 HydrophobicContact CB-CB 4.24Å; D958-I985 HydrophobicContact CB-CD1 4.42Å; D958-I985 PolarHBondContact N-O 2.73Å; D958-I985 PolarHBondContact O-N 3.24Å; D958-I985 VanDerWaalsContact O-O 3.1Å; V960-I985 HydrophobicContact CG2-CD1 4Å; I985-I987 HydrophobicContact CG2-CD1 3.96Å; I985-I987 HydrophobicContact CG2-CG1 4.13Å |
| 986 | R | 81.6 | Confident | 71.6 | Confident | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.9 | 168.9 | -176.7 | 174.9 | -177.2 | 168.2 | 0.1 | 107.9 | T879 V880 I881 V882 | T879-R986 HydrophobicContact CG2-CB 3.63Å; V880-R986 PolarHBondContact O-N 2.85Å; I881-R986 WeakPolarHBondContact CA-O 3.45Å; V882-R986 PolarHBondContact N-O 2.79Å |
| 987 | I | 78.3 | Confident | 72.4 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.1 | 178.9 | -61.7 | 102 | 0 | 0 | 0 | 108.6 | V882 E884 S955 R956 D958 I985 P989 | V882-I987 HydrophobicContact CG1-CG1 3.94Å; V882-I987 CarbonylContact O-C 3.57Å; V882-I987 VanDerWaalsContact O-CA 3.3Å; V882-I987 WeakPolarHBondContact O-CA 3.43Å; E884-I987 HydrophobicContact CB-CG2 4.15Å; S955-I987 WeakPolarHBondContact O-CB 3.22Å; S955-I987 VanDerWaalsContact O-CG2 3.3Å; S955-I987 WeakPolarHBondContact O-CG2 3.08Å; R956-I987 PolarHBondContact O-N 3.47Å; D958-I987 HydrophobicContact CB-CD1 4.15Å; I985-I987 HydrophobicContact CG2-CD1 3.96Å; I985-I987 HydrophobicContact CG2-CG1 4.13Å; I987-P989 WeakPolarHBondContact O-CD 3.18Å |
| 988 | L | 59.2 | Low | 72.8 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 115.4 | 173.4 | -55.8 | 179.8 | 0 | 0 | 0 | 108.4 | I881 V882 E883 E884 | I881-L988 HydrophobicContact CG2-CD1 3.68Å; I881-L988 HydrophobicContact CG2-CD2 3.85Å; I881-L988 HydrophobicContact CG2-CG 3.66Å; V882-L988 PolarHBondContact O-N 3.4Å; E883-L988 HydrophobicContact CG-CB 4.41Å; E883-L988 HydrophobicContact CG-CD1 4.36Å; E884-L988 PolarHBondContact N-O 3.12Å |
| 989 | P | 61.1 | Low | 72.8 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | trans | -71 | 149.7 | 179.7 | 30.9 | -36.2 | 0 | 0 | 0 | 111.3 | I987 | I987-P989 WeakPolarHBondContact O-CD 3.18Š| ||
| 990 | S | 56.6 | Low | 72.1 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | trans | -100.7 | 30.7 | -168.7 | 68.7 | 0 | 0 | 0 | 0 | 115.8 | E884 | E884-S990 VanDerWaalsContact OE2-CB 3.25Å; E884-S990 WeakPolarHBondContact OE2-CB 3.14Å; E884-S990 PolarHBondContact OE2-N 2.81Å; E884-S990 PolarHBondContact OE2-OG 3.09Å | ||
| 991 | G | 52.5 | Low | 71.3 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | -47.5 | 160.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | D1026 K1091 | G991-D1026 WeakPolarHBondContact CA-OD2 3.48Å; G991-K1091 VanDerWaalsContact O-CD 3.31Å; G991-K1091 WeakPolarHBondContact O-CD 3.41Å; G991-K1091 WeakPolarHBondContact O-CE 3.37Å; G991-K1091 PolarHBondContact O-NZ 3.28Å | ||
| 992 | K | 58.7 | Low | 70.5 | Confident | 170 Ų | 170 | 71.2 Ų | 71.2 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | trans | -134.6 | -14.4 | -164.6 | -67.9 | 166.5 | -172.6 | 151 | 0 | 115.3 | D1026 | K992-D1026 PolarHBondContact N-OD2 3.32Š| ||
| 993 | N | 61.2 | Low | 69.8 | Low | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -127.3 | 146.5 | 179.9 | -65 | -82.7 | 0 | 0 | 0 | 112.5 | D1026 H1092 | N993-D1026 WeakPolarHBondContact CB-OD1 3.22Å; N993-D1026 PolarHBondContact N-OD1 2.75Å; N993-D1026 PolarHBondContact N-OD2 3.02Å; N993-D1026 PolarHBondContact ND2-OD1 2.77Å; N993-H1092 VanDerWaalsContact C-CE1 3.41Å; N993-H1092 PolarHBondContact N-CE1 2.71Å; N993-H1092 PolarHBondContact O-CE1 3.09Å; N993-H1092 PolarHBondContact O-ND1 3.21Å |
| 994 | P | 67.8 | Low | 69.4 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | trans | -80.3 | 155.1 | 178.3 | 32.6 | -36.2 | 0 | 0 | 0 | 113.5 | H1092 V1094 | P994-H1092 HydrophobicContact CB-CB 3.79Å; P994-V1094 HydrophobicContact CB-CG2 4.06Å | ||
| 995 | P | 78.3 | Confident | 69.2 | Low | 6 Ų | 6 | 68.6 Ų | 68.6 | 4% | 0.039 | 36% | 0.364 | C | S | . | . | trans | -58.1 | 157.9 | 172.9 | -26.8 | 36.2 | 0 | 0 | 0 | 114.2 | Y1022 L1034 V1087 D1089 | P995-Y1022 HydrophobicContact CB-CD1 3.96Å; P995-L1034 HydrophobicContact CB-CD2 3.75Å; P995-L1034 HydrophobicContact CG-CD2 3.54Å; P995-V1087 HydrophobicContact CB-CG1 4.41Å; P995-D1089 WeakPolarHBondContact CD-OD2 3.26Å; P995-D1089 HydrophobicContact CG-CB 4.02Å | ||
| 996 | K | 78 | Confident | 69.1 | Low | 130 Ų | 130 | 71 Ų | 71 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.7 | 178.7 | -166 | -168.6 | 174.6 | -166.8 | 0 | 112.9 | M998 Y1022 V1023 | K996-M998 PolarHBondContact O-N 3.25Å; K996-Y1022 VanDerWaalsContact C-CD1 3.48Å; K996-Y1022 WeakPolarHBondContact O-CA 3.02Å; K996-V1023 PolarHBondContact N-O 2.92Å; K996-V1023 PolarHBondContact O-N 3.46Å |
| 997 | R | 82.3 | Confident | 69.2 | Low | 32 Ų | 32 | 64 Ų | 64 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133.4 | 169.7 | -159.7 | 176.8 | -169.4 | 163.7 | -4.4 | 111 | H999 S1021 Y1022 D1096 | R997-H999 WeakPolarHBondContact CG-O 3.29Å; R997-S1021 WeakPolarHBondContact CA-O 3.32Å; R997-Y1022 HydrophobicContact CB-CD2 4.03Å; R997-Y1022 HydrophobicContact CB-CE1 4.31Å; R997-Y1022 HydrophobicContact CB-CE2 3.6Å; R997-Y1022 HydrophobicContact CG-CD2 4.03Å; R997-Y1022 HydrophobicContact CG-CE2 3.63Å; R997-D1096 VanDerWaalsContact CD-OD2 3.29Å; R997-D1096 WeakPolarHBondContact CD-OD2 3.41Å; R997-D1096 IonicContact CZ-OD2 3.6Å; R997-D1096 IonicContact NE-OD2 2.68Å; R997-D1096 VanDerWaalsContact NH1-CG 3.33Å; R997-D1096 IonicContact NH1-OD1 3.54Å; R997-D1096 PolarHBondContact NH1-OD1 3.19Å; R997-D1096 IonicContact NH1-OD2 3.14Å; R997-D1096 PolarHBondContact NH1-OD2 2.98Å |
| 998 | M | 74.5 | Confident | 69.4 | Low | 96 Ų | 96 | 64 Ų | 64 | 47% | 0.473 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.7 | -36.1 | -173.9 | -169.7 | 172.3 | 76.6 | 0 | 0 | 112.5 | K996 S1021 | K996-M998 PolarHBondContact O-N 3.25Å; M998-S1021 WeakPolarHBondContact CB-OG 3.19Å; M998-S1021 PolarHBondContact N-O 2.59Å; M998-S1021 PolarHBondContact SD-OG 2.74Å |
| 999 | H | 66.8 | Low | 70.1 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 38% | 0.384 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -106.3 | 133.7 | 174.6 | -61.1 | -63.4 | 0 | 0 | 0 | 110.6 | R997 V1001 | R997-H999 WeakPolarHBondContact CG-O 3.29Å; H999-V1001 VanDerWaalsContact C-N 3.3Å; H999-V1001 PolarHBondContact O-N 3.1Å |
| 1000 | S | 57.3 | Low | 70.5 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 83% | 0.832 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -92.8 | 27.5 | -174.6 | 65 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1001 | V | 61 | Low | 71.4 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -135.9 | 134 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | H999 H1003 | H999-V1001 VanDerWaalsContact C-N 3.3Å; H999-V1001 PolarHBondContact O-N 3.1Å; V1001-H1003 PolarHBondContact O-N 2.7Å |
| 1002 | D | 61.3 | Low | 72.7 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | trans | -60.6 | 100.5 | 174.9 | -77.4 | 5.5 | 0 | 0 | 0 | 109.4 | R1097 I1099 | D1002-R1097 IonicContact OD1-NH2 2.65Å; D1002-R1097 IonicContact OD2-CZ 3.27Å; D1002-R1097 VanDerWaalsContact OD2-CZ 3.32Å; D1002-R1097 IonicContact OD2-NE 2.74Å; D1002-R1097 PolarHBondContact OD2-NE 2.95Å; D1002-R1097 VanDerWaalsContact OD2-NE 3.08Å; D1002-R1097 IonicContact OD2-NH2 3.7Å; D1002-R1097 PolarHBondContact OD2-NH2 2.85Å; D1002-I1099 HydrophobicContact CB-CD1 3.81Å | ||
| 1003 | H | 68.6 | Low | 73.9 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | trans | -72.2 | 145.2 | 174.7 | -159.5 | 80 | 0 | 0 | 0 | 110.4 | V1001 H1018 | V1001-H1003 PolarHBondContact O-N 2.7Å; H1003-H1018 AromaticContact CE1-CD2 3.7Å | ||
| 1004 | V | 78.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.7 | -179.5 | 179 | 0 | 0 | 0 | 0 | 108.4 | F1006 I1099 N1101 | V1004-F1006 HydrophobicContact CB-CE2 4.31Å; V1004-F1006 HydrophobicContact CG1-CD2 4.49Å; V1004-F1006 HydrophobicContact CG1-CE2 4.18Å; V1004-F1006 HydrophobicContact CG1-CZ 4.26Å; V1004-F1006 VanDerWaalsContact O-CD2 3.29Å; V1004-F1006 WeakPolarHBondContact O-CD2 3.36Å; V1004-F1006 PolarHBondContact O-N 2.67Å; V1004-I1099 HydrophobicContact CG1-CG2 4.46Å; V1004-I1099 HydrophobicContact CG2-CB 4.49Å; V1004-I1099 HydrophobicContact CG2-CG2 4.23Å; V1004-N1101 HydrophobicContact CG1-CB 3.56Å |
| 1005 | C | 82.3 | Confident | 76.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.8 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 109.1 | L1098 I1099 V1100 N1101 | C1005-L1098 HydrophobicContact CB-CD1 4.07Å; C1005-I1099 PolarHBondContact N-O 3.39Å; C1005-V1100 WeakPolarHBondContact O-CA 3.13Å; C1005-N1101 PolarHBondContact O-N 2.86Å |
| 1006 | F | 84.3 | Confident | 76.3 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 23% | 0.228 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.1 | 177.4 | -68.2 | -93.3 | 0 | 0 | 0 | 110.1 | V1004 K1013 N1101 F1106 N1135 | V1004-F1006 HydrophobicContact CB-CE2 4.31Å; V1004-F1006 HydrophobicContact CG1-CD2 4.49Å; V1004-F1006 HydrophobicContact CG1-CE2 4.18Å; V1004-F1006 HydrophobicContact CG1-CZ 4.26Å; V1004-F1006 VanDerWaalsContact O-CD2 3.29Å; V1004-F1006 WeakPolarHBondContact O-CD2 3.36Å; V1004-F1006 PolarHBondContact O-N 2.67Å; F1006-K1013 WeakPolarHBondContact O-CD 3.25Å; F1006-K1013 WeakPolarHBondContact O-CE 3.48Å; F1006-N1101 WeakPolarHBondContact CA-O 2.95Å; F1006-N1101 HydrophobicContact CD1-CB 4.31Å; F1006-N1101 WeakPolarHBondContact CE1-ND2 3.09Å; F1006-F1106 HydrophobicContact CB-CE1 4.08Å; F1006-F1106 HydrophobicContact CB-CZ 4.08Å; F1006-F1106 AromaticContact CD1-CE1 3.71Å; F1006-F1106 HydrophobicContact CD1-CE1 3.71Å; F1006-F1106 AromaticContact CD1-CZ 3.52Å; F1006-F1106 HydrophobicContact CD1-CZ 3.52Å; F1006-F1106 HydrophobicContact CE1-CE1 4.43Å; F1006-F1106 AromaticContact CE1-CZ 3.98Å; F1006-F1106 HydrophobicContact CE1-CZ 3.98Å; F1006-F1106 HydrophobicContact CG-CE1 4.14Å; F1006-F1106 AromaticContact CG-CZ 3.81Å; F1006-F1106 HydrophobicContact CG-CZ 3.81Å; F1006-N1135 HydrophobicContact CB-CB 3.99Å; F1006-N1135 WeakPolarHBondContact O-CA 3.4Å |
| 1007 | V | 85.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.9 | -172.9 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | K1013 Y1072 H1074 V1100 N1101 V1102 S1103 | V1007-K1013 HydrophobicContact CG1-CB 4.22Å; V1007-K1013 HydrophobicContact CG2-CB 4Å; V1007-K1013 HydrophobicContact CG2-CG 4.17Å; V1007-Y1072 HydrophobicContact CG1-CD1 4.27Å; V1007-Y1072 HydrophobicContact CG2-CD1 4.1Å; V1007-H1074 HydrophobicContact CG1-CB 3.82Å; V1007-V1100 HydrophobicContact CB-CG1 4.17Å; V1007-V1100 HydrophobicContact CG2-CG1 3.63Å; V1007-N1101 PolarHBondContact N-O 3.46Å; V1007-V1102 WeakPolarHBondContact O-CA 3.44Å; V1007-S1103 PolarHBondContact O-N 2.81Å |
| 1008 | T | 82 | Confident | 76.1 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.3 | 172.4 | 30.7 | 0 | 0 | 0 | 0 | 111 | T1010 E1011 P1105 N1135 | T1008-T1010 PolarHBondContact O-N 3.17Å; T1008-E1011 WeakPolarHBondContact CB-OE2 3.37Å; T1008-E1011 WeakPolarHBondContact CG2-OE2 3.23Å; T1008-E1011 WeakPolarHBondContact OG1-CB 3.35Å; T1008-E1011 PolarHBondContact OG1-OE2 2.91Å; T1008-P1105 HydrophobicContact CG2-CB 3.9Å; T1008-P1105 HydrophobicContact CG2-CG 3.67Å; T1008-N1135 HydrophobicContact CG2-CB 3.92Å; T1008-N1135 VanDerWaalsContact CG2-ND2 3.26Å; T1008-N1135 WeakPolarHBondContact CG2-ND2 3.42Å |
| 1009 | K | 73.4 | Confident | 76.3 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 21% | 0.213 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 131 | -179.2 | -169.2 | 164.3 | -173.1 | 168.5 | 0 | 110.2 | D125 S127 E1011 V1102 | D125-K1009 IonicContact OD2-NZ 2.69Å; D125-K1009 PolarHBondContact OD2-NZ 2.72Å; S127-K1009 PolarHBondContact OG-NZ 3.17Å; K1009-E1011 PolarHBondContact O-N 3.01Å; K1009-E1011 VanDerWaalsContact O-N 3.15Å; K1009-V1102 HydrophobicContact CB-CG1 4.11Å |
| 1010 | T | 71.1 | Confident | 77 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 13 | -176.5 | 61.3 | 0 | 0 | 0 | 0 | 116.8 | T1008 L1073 H1074 | T1008-T1010 PolarHBondContact O-N 3.17Å; T1010-L1073 VanDerWaalsContact C-CD1 3.45Å; T1010-H1074 PolarHBondContact N-O 2.96Å |
| 1011 | E | 73.4 | Confident | 78.2 | Confident | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -116.4 | 152 | 175.9 | -83.4 | -178.9 | 178.8 | 0 | 0 | 111.2 | T1008 K1009 L1073 | T1008-E1011 WeakPolarHBondContact CB-OE2 3.37Å; T1008-E1011 WeakPolarHBondContact CG2-OE2 3.23Å; T1008-E1011 WeakPolarHBondContact OG1-CB 3.35Å; T1008-E1011 PolarHBondContact OG1-OE2 2.91Å; K1009-E1011 PolarHBondContact O-N 3.01Å; K1009-E1011 VanDerWaalsContact O-N 3.15Å; E1011-L1073 VanDerWaalsContact C-CD1 3.45Å; E1011-L1073 WeakPolarHBondContact O-CD1 3.21Å |
| 1012 | E | 79.9 | Confident | 79.5 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122 | 178.2 | -70.9 | -170.9 | -143.5 | 0 | 0 | 112 | T1071 L1073 N1137 | E1012-T1071 HydrophobicContact CB-CG2 4.48Å; E1012-T1071 VanDerWaalsContact OE2-CB 3.3Å; E1012-T1071 WeakPolarHBondContact OE2-CB 2.97Å; E1012-T1071 PolarHBondContact OE2-OG1 2.81Å; E1012-L1073 HydrophobicContact CG-CB 4.37Å; E1012-L1073 HydrophobicContact CG-CD1 4.35Å; E1012-N1137 PolarHBondContact O-ND2 2.85Å |
| 1013 | K | 85.6 | Confident | 80.4 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.9 | 168.9 | -177.7 | 67.2 | -179.6 | -175.9 | 0 | 111 | F1006 V1007 T1071 Y1072 T1134 N1135 M1136 | F1006-K1013 WeakPolarHBondContact O-CD 3.25Å; F1006-K1013 WeakPolarHBondContact O-CE 3.48Å; V1007-K1013 HydrophobicContact CG1-CB 4.22Å; V1007-K1013 HydrophobicContact CG2-CB 4Å; V1007-K1013 HydrophobicContact CG2-CG 4.17Å; K1013-T1071 CarbonylContact O-C 3.5Å; K1013-T1071 WeakPolarHBondContact O-CA 3.42Å; K1013-Y1072 PolarHBondContact N-O 3.1Å; K1013-Y1072 PolarHBondContact O-N 3.34Å; K1013-T1134 PolarHBondContact NZ-O 3.35Å; K1013-T1134 VanDerWaalsContact NZ-O 3.08Å; K1013-N1135 WeakPolarHBondContact CD-O 3.21Å; K1013-N1135 VanDerWaalsContact NZ-C 3.27Å; K1013-N1135 PolarHBondContact NZ-O 3.2Å; K1013-M1136 PolarHBondContact NZ-O 3.33Å |
| 1014 | L | 87.6 | Confident | 80.4 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 20% | 0.199 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.5 | 170.3 | -176.1 | 69.3 | 0 | 0 | 0 | 110.8 | T1050 K1068 T1071 N1137 | L1014-T1050 HydrophobicContact CD1-CG2 4.1Å; L1014-K1068 HydrophobicContact CD1-CB 4.23Å; L1014-K1068 HydrophobicContact CD2-CB 4.22Å; L1014-K1068 HydrophobicContact CD2-CD 4.09Å; L1014-K1068 HydrophobicContact CD2-CG 4.19Å; L1014-T1071 HydrophobicContact CB-CG2 4.48Å; L1014-T1071 HydrophobicContact CD1-CG2 3.97Å; L1014-N1137 WeakPolarHBondContact CB-OD1 3.14Å; L1014-N1137 PolarHBondContact N-OD1 3.1Å |
| 1015 | L | 86.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -93.9 | 143.1 | 176.6 | -61.2 | -179.2 | 0 | 0 | 0 | 111.7 | L1020 F1047 I1070 | L1015-L1020 HydrophobicContact CD1-CD1 4.17Å; L1015-F1047 HydrophobicContact CD1-CD1 3.6Å; L1015-F1047 HydrophobicContact CD1-CE1 3.57Å; L1015-I1070 HydrophobicContact CD1-CG2 4Å; L1015-I1070 PolarHBondContact N-O 2.75Å |
| 1016 | T | 82 | Confident | 78.8 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | trans | -130.7 | 171.9 | -175.2 | 76.9 | 0 | 0 | 0 | 0 | 112 | H1018 D1019 V1065 | T1016-H1018 PolarHBondContact O-N 3.3Å; T1016-H1018 VanDerWaalsContact O-N 3.14Å; T1016-H1018 WeakPolarHBondContact OG1-CB 3.21Å; T1016-H1018 PolarHBondContact OG1-N 2.98Å; T1016-H1018 VanDerWaalsContact OG1-N 3.14Å; T1016-D1019 WeakPolarHBondContact CA-OD2 3.39Å; T1016-D1019 WeakPolarHBondContact CB-OD2 3.29Å; T1016-D1019 PolarHBondContact N-OD2 3Å; T1016-D1019 PolarHBondContact O-N 3.45Å; T1016-D1019 PolarHBondContact OG1-OD2 3.23Å; T1016-V1065 VanDerWaalsContact C-CG1 3.45Å; T1016-V1065 VanDerWaalsContact O-CG1 3.32Å; T1016-V1065 WeakPolarHBondContact O-CG1 2.96Å | ||
| 1017 | A | 80.9 | Confident | 77.3 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -20.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1021 | A1017-S1021 WeakPolarHBondContact O-CB 3.18Å; A1017-S1021 PolarHBondContact O-N 3.37Å |
| 1018 | H | 75.5 | Confident | 75.7 | Confident | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73 | -33.1 | 178.1 | -149.2 | 72.7 | 0 | 0 | 0 | 112.3 | H1003 T1016 | H1003-H1018 AromaticContact CE1-CD2 3.7Å; T1016-H1018 PolarHBondContact O-N 3.3Å; T1016-H1018 VanDerWaalsContact O-N 3.14Å; T1016-H1018 WeakPolarHBondContact OG1-CB 3.21Å; T1016-H1018 PolarHBondContact OG1-N 2.98Å; T1016-H1018 VanDerWaalsContact OG1-N 3.14Å |
| 1019 | D | 79.2 | Confident | 74.4 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74 | -40.5 | -177.7 | -53.8 | -91.1 | 0 | 0 | 0 | 112.6 | T1016 | T1016-D1019 WeakPolarHBondContact CA-OD2 3.39Å; T1016-D1019 WeakPolarHBondContact CB-OD2 3.29Å; T1016-D1019 PolarHBondContact N-OD2 3Å; T1016-D1019 PolarHBondContact O-N 3.45Å; T1016-D1019 PolarHBondContact OG1-OD2 3.23Å |
| 1020 | L | 81.2 | Confident | 74 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -132.8 | -5.4 | -161.3 | -82.3 | 171.8 | 0 | 0 | 0 | 117.2 | L1015 Y1022 Y1036 F1038 F1060 F1085 L1098 | L1015-L1020 HydrophobicContact CD1-CD1 4.17Å; L1020-Y1022 WeakPolarHBondContact O-CD2 3.3Å; L1020-Y1036 HydrophobicContact CB-CE1 4.09Å; L1020-Y1036 HydrophobicContact CD2-CE1 4.27Å; L1020-Y1036 PolarHBondContact O-OH 3.11Å; L1020-F1038 HydrophobicContact CD1-CZ 4.28Å; L1020-F1038 HydrophobicContact CD2-CZ 4.33Å; L1020-F1060 HydrophobicContact CD1-CZ 4.42Å; L1020-F1085 HydrophobicContact CD2-CE1 3.73Å; L1020-F1085 HydrophobicContact CD2-CE2 4.45Å; L1020-F1085 HydrophobicContact CD2-CZ 3.67Å; L1020-L1098 HydrophobicContact CD2-CB 4.47Å; L1020-L1098 HydrophobicContact CD2-CD1 4.04Å; L1020-L1098 HydrophobicContact CG-CD1 4.35Å |
| 1021 | S | 83.2 | Confident | 74.1 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | trans | -55.2 | 135.9 | -163.7 | 171.5 | 0 | 0 | 0 | 0 | 117.4 | R997 M998 A1017 Q1062 | R997-S1021 WeakPolarHBondContact CA-O 3.32Å; M998-S1021 WeakPolarHBondContact CB-OG 3.19Å; M998-S1021 PolarHBondContact N-O 2.59Å; M998-S1021 PolarHBondContact SD-OG 2.74Å; A1017-S1021 WeakPolarHBondContact O-CB 3.18Å; A1017-S1021 PolarHBondContact O-N 3.37Å; S1021-Q1062 VanDerWaalsContact CA-OE1 3.3Å | ||
| 1022 | Y | 87 | Confident | 74.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.8 | 172.5 | -91.7 | -114.7 | 0 | 0 | 0 | 111.5 | P995 K996 R997 L1020 Y1036 Q1062 F1085 V1087 V1094 D1096 | P995-Y1022 HydrophobicContact CB-CD1 3.96Å; K996-Y1022 VanDerWaalsContact C-CD1 3.48Å; K996-Y1022 WeakPolarHBondContact O-CA 3.02Å; R997-Y1022 HydrophobicContact CB-CD2 4.03Å; R997-Y1022 HydrophobicContact CB-CE1 4.31Å; R997-Y1022 HydrophobicContact CB-CE2 3.6Å; R997-Y1022 HydrophobicContact CG-CD2 4.03Å; R997-Y1022 HydrophobicContact CG-CE2 3.63Å; L1020-Y1022 WeakPolarHBondContact O-CD2 3.3Å; Y1022-Y1036 HydrophobicContact CD2-CE1 4.24Å; Y1022-Y1036 PolarHBondContact N-OH 3.34Å; Y1022-Q1062 PolarHBondContact O-OE1 3.34Å; Y1022-F1085 HydrophobicContact CE2-CE2 4.13Å; Y1022-F1085 HydrophobicContact CE2-CZ 4.33Å; Y1022-V1087 HydrophobicContact CD1-CB 3.91Å; Y1022-V1087 HydrophobicContact CD1-CG1 3.93Å; Y1022-V1087 HydrophobicContact CD1-CG2 3.85Å; Y1022-V1087 HydrophobicContact CD2-CG2 3.92Å; Y1022-V1087 HydrophobicContact CE1-CB 3.94Å; Y1022-V1087 HydrophobicContact CE1-CG1 4.47Å; Y1022-V1087 HydrophobicContact CE1-CG2 3.76Å; Y1022-V1087 HydrophobicContact CE2-CG2 3.85Å; Y1022-V1087 HydrophobicContact CG-CB 4.36Å; Y1022-V1087 HydrophobicContact CG-CG1 4.17Å; Y1022-V1087 HydrophobicContact CG-CG2 3.92Å; Y1022-V1094 HydrophobicContact CE1-CB 4.34Å; Y1022-V1094 HydrophobicContact CE1-CG1 3.99Å; Y1022-D1096 VanDerWaalsContact OH-CB 3.23Å; Y1022-D1096 WeakPolarHBondContact OH-CB 3.1Å; Y1022-D1096 PolarHBondContact OH-OD2 2.87Å; Y1022-D1096 VanDerWaalsContact OH-OD2 3.07Å |
| 1023 | V | 80.3 | Confident | 74.1 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.3 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | K996 | K996-V1023 PolarHBondContact N-O 2.92Å; K996-V1023 PolarHBondContact O-N 3.46Å |
| 1024 | D | 70.2 | Confident | 74 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | trans | -90.7 | 154.5 | 169.2 | -166.9 | -12.4 | 0 | 0 | 0 | 109.8 | D1026 L1034 | D1024-D1026 PolarHBondContact OD1-N 3.19Å; D1024-L1034 HydrophobicContact CB-CD2 4.45Å | ||
| 1025 | K | 66.3 | Low | 74 | Confident | 159 Ų | 159 | 51.8 Ų | 51.8 | 69% | 0.691 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -106.1 | -11.5 | 174.7 | -76.4 | -168.2 | 167.4 | -163.7 | 0 | 114.4 | G1027 | K1025-G1027 PolarHBondContact O-N 3.3Å; K1025-G1027 VanDerWaalsContact O-N 3.12Å |
| 1026 | D | 60.7 | Low | 74.2 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.3 | 10.7 | -174.5 | -79.3 | -16.2 | 0 | 0 | 0 | 114.8 | G991 K992 N993 D1024 D1028 | G991-D1026 WeakPolarHBondContact CA-OD2 3.48Å; K992-D1026 PolarHBondContact N-OD2 3.32Å; N993-D1026 WeakPolarHBondContact CB-OD1 3.22Å; N993-D1026 PolarHBondContact N-OD1 2.75Å; N993-D1026 PolarHBondContact N-OD2 3.02Å; N993-D1026 PolarHBondContact ND2-OD1 2.77Å; D1024-D1026 PolarHBondContact OD1-N 3.19Å; D1026-D1028 PolarHBondContact O-N 2.68Å |
| 1027 | G | 50.8 | Low | 74.6 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 67% | 0.67 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 85.8 | -25 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1025 N1029 | K1025-G1027 PolarHBondContact O-N 3.3Å; K1025-G1027 VanDerWaalsContact O-N 3.12Å; G1027-N1029 PolarHBondContact O-N 2.94Å |
| 1028 | D | 53.3 | Low | 75 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | trans | -73.6 | 54.3 | 175.6 | -120.2 | 12.1 | 0 | 0 | 0 | 111.9 | R956 D1026 D1030 | R956-D1028 IonicContact CZ-OD2 3.45Å; R956-D1028 IonicContact NE-OD2 3.33Å; R956-D1028 PolarHBondContact NE-OD2 3.36Å; R956-D1028 IonicContact NH2-OD2 3.87Å; R956-D1028 PolarHBondContact NH2-OD2 3.34Å; D1026-D1028 PolarHBondContact O-N 2.68Å; D1028-D1030 PolarHBondContact O-N 3.14Å | ||
| 1029 | N | 54.8 | Low | 75.3 | Confident | 122 Ų | 122 | 47.4 Ų | 47.4 | 65% | 0.652 | 25% | 0.252 | S | S | * | . | trans | -73 | 28.6 | -166 | -158.1 | 22.4 | 0 | 0 | 0 | 114.5 | G1027 S1031 | G1027-N1029 PolarHBondContact O-N 2.94Å; N1029-S1031 PolarHBondContact O-N 3.04Å | ||
| 1030 | D | 64.6 | Low | 75 | Confident | 42 Ų | 42 | 52 Ų | 52 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | trans | -87.8 | 101 | 178.6 | -178.4 | -3.1 | 0 | 0 | 0 | 110.5 | D1028 R1032 F1033 | D1028-D1030 PolarHBondContact O-N 3.14Å; D1030-R1032 PolarHBondContact O-N 2.92Å; D1030-R1032 WeakPolarHBondContact OD1-CB 3.39Å; D1030-R1032 WeakPolarHBondContact OD1-CG 3.02Å; D1030-R1032 IonicContact OD1-CZ 2.7Å; D1030-R1032 PolarHBondContact OD1-N 2.91Å; D1030-R1032 IonicContact OD1-NE 2.69Å; D1030-R1032 PolarHBondContact OD1-NE 3.21Å; D1030-R1032 IonicContact OD1-NH2 2.87Å; D1030-R1032 IonicContact OD2-CZ 3.92Å; D1030-R1032 VanDerWaalsContact OD2-CZ 3.28Å; D1030-R1032 IonicContact OD2-NE 3.62Å; D1030-R1032 PolarHBondContact OD2-NE 3.33Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 2.81Å; D1030-R1032 PolarHBondContact OD2-NH2 2.68Å; D1030-F1033 HydrophobicContact CB-CD2 3.78Å; D1030-F1033 HydrophobicContact CB-CE2 3.89Å; D1030-F1033 PolarHBondContact O-N 2.72Å; D1030-F1033 VanDerWaalsContact OD2-CE2 3.31Å; D1030-F1033 WeakPolarHBondContact OD2-CE2 3.15Å | ||
| 1031 | S | 72.9 | Confident | 74.1 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -12.3 | 176.5 | 57 | 0 | 0 | 0 | 0 | 116.3 | N1029 F1033 Q1062 H1063 | N1029-S1031 PolarHBondContact O-N 3.04Å; S1031-F1033 VanDerWaalsContact C-N 3.28Å; S1031-F1033 PolarHBondContact O-N 3.47Å; S1031-Q1062 CarbonylContact O-C 3.53Å; S1031-Q1062 WeakPolarHBondContact O-CB 3.02Å; S1031-Q1062 PolarHBondContact O-N 2.93Å; S1031-H1063 PolarHBondContact O-N 2.89Å; S1031-H1063 WeakPolarHBondContact OG-CB 3.48Å |
| 1032 | R | 78.8 | Confident | 73.8 | Confident | 145 Ų | 145 | 55 Ų | 55 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.3 | 173.6 | -64.8 | 173.9 | -67.1 | -169 | 2.7 | 113.7 | D1030 H1063 | D1030-R1032 PolarHBondContact O-N 2.92Å; D1030-R1032 WeakPolarHBondContact OD1-CB 3.39Å; D1030-R1032 WeakPolarHBondContact OD1-CG 3.02Å; D1030-R1032 IonicContact OD1-CZ 2.7Å; D1030-R1032 PolarHBondContact OD1-N 2.91Å; D1030-R1032 IonicContact OD1-NE 2.69Å; D1030-R1032 PolarHBondContact OD1-NE 3.21Å; D1030-R1032 IonicContact OD1-NH2 2.87Å; D1030-R1032 IonicContact OD2-CZ 3.92Å; D1030-R1032 VanDerWaalsContact OD2-CZ 3.28Å; D1030-R1032 IonicContact OD2-NE 3.62Å; D1030-R1032 PolarHBondContact OD2-NE 3.33Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 2.81Å; D1030-R1032 PolarHBondContact OD2-NH2 2.68Å; R1032-H1063 HydrophobicContact CB-CB 4.39Å; R1032-H1063 HydrophobicContact CG-CB 3.51Å |
| 1033 | F | 73.7 | Confident | 72.9 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -102.9 | -12.5 | -179.6 | -57 | -61.8 | 0 | 0 | 0 | 114.6 | R956 D1030 S1031 L1035 T1088 | R956-F1033 VanDerWaalsContact CD-CE2 3.43Å; R956-F1033 VanDerWaalsContact CD-CZ 3.47Å; R956-F1033 VanDerWaalsContact NH1-CD1 3.3Å; D1030-F1033 HydrophobicContact CB-CD2 3.78Å; D1030-F1033 HydrophobicContact CB-CE2 3.89Å; D1030-F1033 PolarHBondContact O-N 2.72Å; D1030-F1033 VanDerWaalsContact OD2-CE2 3.31Å; D1030-F1033 WeakPolarHBondContact OD2-CE2 3.15Å; S1031-F1033 VanDerWaalsContact C-N 3.28Å; S1031-F1033 PolarHBondContact O-N 3.47Å; F1033-L1035 PolarHBondContact O-N 2.63Å; F1033-T1088 VanDerWaalsContact O-O 3.13Å |
| 1034 | L | 84.1 | Confident | 72.9 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -80 | 99.3 | 166.6 | -70.7 | 173.5 | 0 | 0 | 0 | 108.2 | P995 D1024 S1061 Q1062 V1087 T1088 D1089 | P995-L1034 HydrophobicContact CB-CD2 3.75Å; P995-L1034 HydrophobicContact CG-CD2 3.54Å; D1024-L1034 HydrophobicContact CB-CD2 4.45Å; L1034-S1061 CarbonylContact O-C 3.6Å; L1034-S1061 WeakPolarHBondContact O-CA 3.16Å; L1034-Q1062 HydrophobicContact CB-CB 3.86Å; L1034-Q1062 HydrophobicContact CD1-CB 4.49Å; L1034-Q1062 PolarHBondContact O-N 3.12Å; L1034-V1087 HydrophobicContact CB-CG1 4.48Å; L1034-V1087 HydrophobicContact CD2-CG1 4.28Å; L1034-T1088 WeakPolarHBondContact CA-O 3.05Å; L1034-D1089 HydrophobicContact CD2-CB 4.37Å | ||
| 1035 | L | 87 | Confident | 73.5 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.6 | -179.7 | -62.5 | 179.1 | 0 | 0 | 0 | 110.4 | F1033 V1059 V1087 T1088 | F1033-L1035 PolarHBondContact O-N 2.63Å; L1035-V1059 HydrophobicContact CB-CG1 4.49Å; L1035-V1087 WeakPolarHBondContact O-CA 3.47Å; L1035-T1088 HydrophobicContact CB-CG2 4.2Å; L1035-T1088 PolarHBondContact N-O 3.4Å; L1035-T1088 PolarHBondContact O-N 3.26Å |
| 1036 | Y | 91.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131 | 167.1 | -66.7 | -102.9 | 0 | 0 | 0 | 108.5 | L1020 Y1022 F1038 V1059 F1060 Q1062 V1065 F1085 V1087 | L1020-Y1036 HydrophobicContact CB-CE1 4.09Å; L1020-Y1036 HydrophobicContact CD2-CE1 4.27Å; L1020-Y1036 PolarHBondContact O-OH 3.11Å; Y1022-Y1036 HydrophobicContact CD2-CE1 4.24Å; Y1022-Y1036 PolarHBondContact N-OH 3.34Å; Y1036-F1038 HydrophobicContact CD1-CE2 4.23Å; Y1036-F1038 HydrophobicContact CG-CE2 4.47Å; Y1036-V1059 VanDerWaalsContact O-CA 3.31Å; Y1036-V1059 WeakPolarHBondContact O-CA 3.24Å; Y1036-F1060 HydrophobicContact CD1-CE2 4.46Å; Y1036-F1060 HydrophobicContact CD2-CD2 4.09Å; Y1036-F1060 HydrophobicContact CD2-CE2 4.03Å; Y1036-F1060 HydrophobicContact CG-CD2 4.22Å; Y1036-F1060 AromaticContact CG-CE2 3.85Å; Y1036-F1060 HydrophobicContact CG-CE2 3.85Å; Y1036-F1060 PolarHBondContact N-O 2.75Å; Y1036-F1060 PolarHBondContact O-N 3.35Å; Y1036-Q1062 HydrophobicContact CE2-CB 4.02Å; Y1036-Q1062 PolarHBondContact OH-OE1 2.74Å; Y1036-V1065 HydrophobicContact CE2-CG2 4.47Å; Y1036-F1085 AromaticContact CD1-CD2 3.9Å; Y1036-F1085 HydrophobicContact CD1-CD2 3.9Å; Y1036-F1085 AromaticContact CD1-CE2 3.77Å; Y1036-F1085 HydrophobicContact CD1-CE2 3.77Å; Y1036-F1085 HydrophobicContact CE1-CD2 4.48Å; Y1036-F1085 AromaticContact CE1-CE2 3.88Å; Y1036-F1085 HydrophobicContact CE1-CE2 3.88Å; Y1036-F1085 HydrophobicContact CE1-CZ 4.46Å; Y1036-V1087 HydrophobicContact CD1-CG2 3.82Å; Y1036-V1087 HydrophobicContact CE1-CG2 3.81Å; Y1036-V1087 HydrophobicContact CG-CG2 4.41Å |
| 1037 | H | 89.5 | Confident | 75.8 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.7 | 172.1 | -69.1 | -102.1 | 0 | 0 | 0 | 109.1 | V1059 F1085 Y1086 | H1037-V1059 WeakPolarHBondContact ND1-CG2 3.44Å; H1037-F1085 VanDerWaalsContact O-CA 3.29Å; H1037-F1085 WeakPolarHBondContact O-CA 3.42Å; H1037-F1085 WeakPolarHBondContact O-CB 3.46Å; H1037-Y1086 HydrophobicContact CB-CD1 3.94Å; H1037-Y1086 HydrophobicContact CB-CD2 3.85Å; H1037-Y1086 HydrophobicContact CB-CE1 3.54Å; H1037-Y1086 HydrophobicContact CB-CE2 3.45Å; H1037-Y1086 VanDerWaalsContact CB-CE2 3.45Å; H1037-Y1086 HydrophobicContact CB-CG 4.09Å; H1037-Y1086 AromaticContact CD2-CE2 3.47Å; H1037-Y1086 VanDerWaalsContact CD2-CE2 3.47Å; H1037-Y1086 WeakPolarHBondContact CD2-CE2 3.49Å; H1037-Y1086 AromaticContact CG-CE2 3.41Å; H1037-Y1086 VanDerWaalsContact CG-CE2 3.41Å; H1037-Y1086 AromaticContact CG-CZ 3.5Å; H1037-Y1086 PolarHBondContact N-O 2.88Å; H1037-Y1086 AromaticContact ND1-CZ 3.96Å; H1037-Y1086 PolarHBondContact O-N 3.32Å |
| 1038 | F | 90.5 | Very high | 77.6 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -96.5 | 164.6 | 167.7 | -71.1 | -93.9 | 0 | 0 | 0 | 109.4 | L1020 Y1036 M1042 F1047 H1058 F1060 I1083 F1085 L1098 | L1020-F1038 HydrophobicContact CD1-CZ 4.28Å; L1020-F1038 HydrophobicContact CD2-CZ 4.33Å; Y1036-F1038 HydrophobicContact CD1-CE2 4.23Å; Y1036-F1038 HydrophobicContact CG-CE2 4.47Å; F1038-M1042 HydrophobicContact CB-SD 4.05Å; F1038-F1047 HydrophobicContact CB-CD2 4.4Å; F1038-F1047 HydrophobicContact CB-CE2 3.81Å; F1038-F1047 AromaticContact CD1-CE2 3.43Å; F1038-F1047 HydrophobicContact CD1-CE2 3.43Å; F1038-F1047 VanDerWaalsContact CD1-CE2 3.43Å; F1038-F1047 AromaticContact CD1-CZ 3.65Å; F1038-F1047 HydrophobicContact CD1-CZ 3.65Å; F1038-F1047 HydrophobicContact CD2-CD2 4.38Å; F1038-F1047 AromaticContact CD2-CE2 3.75Å; F1038-F1047 HydrophobicContact CD2-CE2 3.75Å; F1038-F1047 HydrophobicContact CD2-CZ 4.2Å; F1038-F1047 AromaticContact CE1-CE2 3.85Å; F1038-F1047 HydrophobicContact CE1-CE2 3.85Å; F1038-F1047 AromaticContact CE1-CZ 3.55Å; F1038-F1047 HydrophobicContact CE1-CZ 3.55Å; F1038-F1047 HydrophobicContact CE2-CE2 4.15Å; F1038-F1047 HydrophobicContact CE2-CZ 4.14Å; F1038-F1047 HydrophobicContact CG-CD2 4.24Å; F1038-F1047 AromaticContact CG-CE2 3.37Å; F1038-F1047 HydrophobicContact CG-CE2 3.37Å; F1038-F1047 AromaticContact CG-CZ 3.97Å; F1038-F1047 HydrophobicContact CG-CZ 3.97Å; F1038-F1047 HydrophobicContact CZ-CE2 4.2Å; F1038-F1047 AromaticContact CZ-CZ 3.82Å; F1038-F1047 HydrophobicContact CZ-CZ 3.82Å; F1038-H1058 PolarHBondContact N-O 3.38Å; F1038-F1060 AromaticContact CD2-CE1 3.9Å; F1038-F1060 HydrophobicContact CD2-CE1 3.9Å; F1038-F1060 AromaticContact CD2-CZ 3.88Å; F1038-F1060 HydrophobicContact CD2-CZ 3.88Å; F1038-F1060 AromaticContact CE2-CE1 3.91Å; F1038-F1060 HydrophobicContact CE2-CE1 3.91Å; F1038-F1060 HydrophobicContact CE2-CE2 4.16Å; F1038-F1060 AromaticContact CE2-CZ 3.4Å; F1038-F1060 HydrophobicContact CE2-CZ 3.4Å; F1038-F1060 HydrophobicContact CZ-CZ 4.32Å; F1038-I1083 HydrophobicContact CD1-CB 4.34Å; F1038-I1083 HydrophobicContact CD1-CG2 3.74Å; F1038-I1083 HydrophobicContact CE1-CB 4.38Å; F1038-I1083 HydrophobicContact CE1-CG2 4.27Å; F1038-F1085 HydrophobicContact CD1-CB 3.63Å; F1038-F1085 HydrophobicContact CD1-CD1 4.47Å; F1038-F1085 HydrophobicContact CD1-CG 4.39Å; F1038-F1085 HydrophobicContact CD2-CB 4.17Å; F1038-F1085 HydrophobicContact CE1-CB 3.56Å; F1038-F1085 AromaticContact CE1-CD1 3.59Å; F1038-F1085 HydrophobicContact CE1-CD1 3.59Å; F1038-F1085 HydrophobicContact CE1-CE1 4.5Å; F1038-F1085 AromaticContact CE1-CG 3.81Å; F1038-F1085 HydrophobicContact CE1-CG 3.81Å; F1038-F1085 HydrophobicContact CE2-CB 4.08Å; F1038-F1085 HydrophobicContact CE2-CG 4.26Å; F1038-F1085 HydrophobicContact CG-CB 3.95Å; F1038-F1085 HydrophobicContact CZ-CB 3.79Å; F1038-F1085 AromaticContact CZ-CD1 3.68Å; F1038-F1085 HydrophobicContact CZ-CD1 3.68Å; F1038-F1085 HydrophobicContact CZ-CD2 4.4Å; F1038-F1085 HydrophobicContact CZ-CE1 4.32Å; F1038-F1085 AromaticContact CZ-CG 3.73Å; F1038-F1085 HydrophobicContact CZ-CG 3.73Å; F1038-L1098 HydrophobicContact CE1-CB 4.26Å; F1038-L1098 HydrophobicContact CE1-CD2 4.36Å | ||
| 1039 | P | 82.4 | Confident | 78.9 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | trans | -64.1 | 139.5 | 175.6 | -19.1 | 32.6 | 0 | 0 | 0 | 110.8 | K1041 M1042 P1084 | P1039-K1041 PolarHBondContact O-N 2.8Å; P1039-M1042 HydrophobicContact CB-CG 4.26Å; P1039-M1042 HydrophobicContact CG-CG 4.37Å; P1039-M1042 WeakPolarHBondContact O-CG 3.22Å; P1039-P1084 WeakPolarHBondContact CD-O 3.27Å; P1039-P1084 HydrophobicContact CG-CG 4.37Å | ||
| 1040 | E | 71.4 | Confident | 79.7 | Confident | 112 Ų | 112 | 40.4 Ų | 40.4 | 52% | 0.523 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -54.5 | -24.1 | 169.5 | -68.7 | 171.1 | -164.6 | 0 | 0 | 113.1 | ||
| 1041 | K | 63.4 | Low | 79.9 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -130.5 | 76.3 | -166.3 | -65.4 | 174.2 | 174.1 | -151.2 | 0 | 109.3 | P1039 A2165 G2166 L2168 I2169 | P1039-K1041 PolarHBondContact O-N 2.8Å; K1041-A2165 VanDerWaalsContact CE-O 3.22Å; K1041-A2165 WeakPolarHBondContact CE-O 3.42Å; K1041-A2165 PolarHBondContact NZ-O 2.87Å; K1041-G2166 WeakPolarHBondContact CD-O 3.42Å; K1041-L2168 PolarHBondContact NZ-O 2.92Å; K1041-I2169 HydrophobicContact CD-CD1 4.12Å; K1041-I2169 HydrophobicContact CD-CG1 4.27Å |
| 1042 | M | 75.9 | Confident | 79.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | trans | -87.9 | 129.1 | -180 | -72.3 | 170.3 | -71.9 | 0 | 0 | 110.8 | N76 F1038 P1039 E1044 G1045 F1047 I1083 | N76-M1042 PolarHBondContact ND2-O 3.05Å; F1038-M1042 HydrophobicContact CB-SD 4.05Å; P1039-M1042 HydrophobicContact CB-CG 4.26Å; P1039-M1042 HydrophobicContact CG-CG 4.37Å; P1039-M1042 WeakPolarHBondContact O-CG 3.22Å; M1042-E1044 VanDerWaalsContact C-N 3.34Å; M1042-E1044 PolarHBondContact O-N 2.85Å; M1042-G1045 WeakPolarHBondContact CB-O 3.23Å; M1042-F1047 HydrophobicContact CE-CD2 3.7Å; M1042-F1047 HydrophobicContact CE-CE2 3.91Å; M1042-F1047 HydrophobicContact SD-CD2 3.88Å; M1042-F1047 HydrophobicContact SD-CE2 3.42Å; M1042-F1047 WeakPolarHBondContact SD-CE2 3.46Å; M1042-F1047 HydrophobicContact SD-CZ 4.35Å; M1042-I1083 HydrophobicContact CG-CG2 4.06Å; M1042-I1083 HydrophobicContact SD-CD1 4.49Å; M1042-I1083 HydrophobicContact SD-CG2 3.94Å | ||
| 1043 | K | 69.4 | Low | 78.4 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -77.6 | -13.9 | -173.4 | -80.2 | -172.9 | 174.8 | -72.2 | 0 | 115.5 | N76 | N76-K1043 HydrophobicContact CB-CB 3.9Å; N76-K1043 HydrophobicContact CB-CG 3.9Å; N76-K1043 WeakPolarHBondContact CB-O 3.38Å; N76-K1043 VanDerWaalsContact CG-CA 3.43Å; N76-K1043 PolarHBondContact ND2-O 3.03Å; N76-K1043 WeakPolarHBondContact O-CD 3.36Å; N76-K1043 PolarHBondContact O-NZ 2.96Å |
| 1044 | E | 80 | Confident | 77.8 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -116.5 | -0.3 | -170.3 | -56.7 | -60.9 | 161 | 0 | 0 | 113.9 | F77 M1042 Y1072 H1074 T1075 G1076 D1077 T1078 Y1081 | F77-E1044 WeakPolarHBondContact CE2-OE1 3.47Å; M1042-E1044 VanDerWaalsContact C-N 3.34Å; M1042-E1044 PolarHBondContact O-N 2.85Å; E1044-Y1072 PolarHBondContact O-OH 2.88Å; E1044-H1074 WeakPolarHBondContact O-CA 3.02Å; E1044-H1074 PolarHBondContact O-ND1 3.16Å; E1044-H1074 IonicContact OE2-CE1 3.84Å; E1044-T1075 PolarHBondContact O-N 3.04Å; E1044-T1075 VanDerWaalsContact O-N 3.13Å; E1044-G1076 PolarHBondContact O-N 3.2Å; E1044-G1076 VanDerWaalsContact O-N 3.15Å; E1044-D1077 PolarHBondContact OE2-N 3.33Å; E1044-T1078 WeakPolarHBondContact OE1-CB 3.45Å; E1044-T1078 PolarHBondContact OE1-OG1 3.2Å; E1044-T1078 VanDerWaalsContact OE2-CB 3.25Å; E1044-T1078 WeakPolarHBondContact OE2-CB 3.3Å; E1044-T1078 PolarHBondContact OE2-N 2.93Å; E1044-T1078 PolarHBondContact OE2-OG1 3.45Å; E1044-Y1081 HydrophobicContact CB-CD1 3.98Å; E1044-Y1081 HydrophobicContact CB-CD2 3.72Å; E1044-Y1081 HydrophobicContact CB-CE1 3.67Å; E1044-Y1081 HydrophobicContact CB-CE2 3.38Å; E1044-Y1081 HydrophobicContact CB-CG 4Å; E1044-Y1081 HydrophobicContact CG-CD1 3.85Å; E1044-Y1081 HydrophobicContact CG-CD2 3.77Å; E1044-Y1081 HydrophobicContact CG-CE1 4.08Å; E1044-Y1081 HydrophobicContact CG-CE2 3.99Å; E1044-Y1081 HydrophobicContact CG-CG 3.69Å |
| 1045 | G | 81.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | 166.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1042 Y1072 L1073 T1075 | M1042-G1045 WeakPolarHBondContact CB-O 3.23Å; G1045-Y1072 WeakPolarHBondContact CA-OH 3.45Å; G1045-L1073 CarbonylContact C-O 3.58Å; G1045-L1073 WeakPolarHBondContact CA-O 3.25Å; G1045-T1075 WeakPolarHBondContact CA-OG1 3.47Å |
| 1046 | S | 87 | Confident | 76.7 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.8 | -175 | -90.5 | 0 | 0 | 0 | 0 | 111.9 | S1056 Y1072 L1073 D2163 | S1046-S1056 WeakPolarHBondContact CB-OG 2.99Å; S1046-S1056 WeakPolarHBondContact OG-CB 3.15Å; S1046-S1056 PolarHBondContact OG-OG 3.3Å; S1046-Y1072 WeakPolarHBondContact O-CD2 3.46Å; S1046-L1073 PolarHBondContact N-O 2.69Å; S1046-L1073 VanDerWaalsContact N-O 3.16Å; S1046-L1073 PolarHBondContact O-N 3.2Å; S1046-D2163 WeakPolarHBondContact CB-OD1 3.48Å; S1046-D2163 PolarHBondContact OG-OD1 2.89Å |
| 1047 | F | 89.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 145 | 168.7 | -50.8 | -83.6 | 0 | 0 | 0 | 110.1 | L1015 F1038 M1042 I1057 F1060 I1070 T1071 Y1072 I1083 L1098 | L1015-F1047 HydrophobicContact CD1-CD1 3.6Å; L1015-F1047 HydrophobicContact CD1-CE1 3.57Å; F1038-F1047 HydrophobicContact CB-CD2 4.4Å; F1038-F1047 HydrophobicContact CB-CE2 3.81Å; F1038-F1047 AromaticContact CD1-CE2 3.43Å; F1038-F1047 HydrophobicContact CD1-CE2 3.43Å; F1038-F1047 VanDerWaalsContact CD1-CE2 3.43Å; F1038-F1047 AromaticContact CD1-CZ 3.65Å; F1038-F1047 HydrophobicContact CD1-CZ 3.65Å; F1038-F1047 HydrophobicContact CD2-CD2 4.38Å; F1038-F1047 AromaticContact CD2-CE2 3.75Å; F1038-F1047 HydrophobicContact CD2-CE2 3.75Å; F1038-F1047 HydrophobicContact CD2-CZ 4.2Å; F1038-F1047 AromaticContact CE1-CE2 3.85Å; F1038-F1047 HydrophobicContact CE1-CE2 3.85Å; F1038-F1047 AromaticContact CE1-CZ 3.55Å; F1038-F1047 HydrophobicContact CE1-CZ 3.55Å; F1038-F1047 HydrophobicContact CE2-CE2 4.15Å; F1038-F1047 HydrophobicContact CE2-CZ 4.14Å; F1038-F1047 HydrophobicContact CG-CD2 4.24Å; F1038-F1047 AromaticContact CG-CE2 3.37Å; F1038-F1047 HydrophobicContact CG-CE2 3.37Å; F1038-F1047 AromaticContact CG-CZ 3.97Å; F1038-F1047 HydrophobicContact CG-CZ 3.97Å; F1038-F1047 HydrophobicContact CZ-CE2 4.2Å; F1038-F1047 AromaticContact CZ-CZ 3.82Å; F1038-F1047 HydrophobicContact CZ-CZ 3.82Å; M1042-F1047 HydrophobicContact CE-CD2 3.7Å; M1042-F1047 HydrophobicContact CE-CE2 3.91Å; M1042-F1047 HydrophobicContact SD-CD2 3.88Å; M1042-F1047 HydrophobicContact SD-CE2 3.42Å; M1042-F1047 WeakPolarHBondContact SD-CE2 3.46Å; M1042-F1047 HydrophobicContact SD-CZ 4.35Å; F1047-I1057 HydrophobicContact CB-CG1 4.06Å; F1047-I1057 WeakPolarHBondContact CB-O 3.34Å; F1047-I1057 WeakPolarHBondContact O-CG1 3.45Å; F1047-I1057 PolarHBondContact O-N 3.14Å; F1047-F1060 HydrophobicContact CB-CE1 4.3Å; F1047-F1060 HydrophobicContact CD1-CE1 4.27Å; F1047-F1060 HydrophobicContact CD2-CE1 4.05Å; F1047-F1060 HydrophobicContact CE2-CE1 4.5Å; F1047-F1060 AromaticContact CG-CE1 3.96Å; F1047-F1060 HydrophobicContact CG-CE1 3.96Å; F1047-I1070 HydrophobicContact CB-CG2 4.18Å; F1047-I1070 HydrophobicContact CD1-CG2 4.32Å; F1047-T1071 CarbonylContact C-O 3.22Å; F1047-T1071 WeakPolarHBondContact CA-O 3.15Å; F1047-T1071 WeakPolarHBondContact CB-O 3.4Å; F1047-Y1072 AromaticContact CD1-CD2 3.42Å; F1047-Y1072 HydrophobicContact CD1-CD2 3.42Å; F1047-Y1072 VanDerWaalsContact CD1-CD2 3.42Å; F1047-Y1072 HydrophobicContact CD1-CE2 4.42Å; F1047-Y1072 HydrophobicContact CD1-CG 4Å; F1047-Y1072 HydrophobicContact CD2-CD2 4.46Å; F1047-Y1072 AromaticContact CE1-CD2 3.41Å; F1047-Y1072 HydrophobicContact CE1-CD2 3.41Å; F1047-Y1072 VanDerWaalsContact CE1-CD2 3.41Å; F1047-Y1072 HydrophobicContact CE1-CE2 4.15Å; F1047-Y1072 AromaticContact CE1-CG 3.97Å; F1047-Y1072 HydrophobicContact CE1-CG 3.97Å; F1047-Y1072 HydrophobicContact CE2-CD2 4.45Å; F1047-Y1072 AromaticContact CG-CD2 3.95Å; F1047-Y1072 HydrophobicContact CG-CD2 3.95Å; F1047-Y1072 AromaticContact CZ-CD2 3.95Å; F1047-Y1072 HydrophobicContact CZ-CD2 3.95Å; F1047-Y1072 HydrophobicContact CZ-CE2 4.26Å; F1047-I1083 HydrophobicContact CZ-CD1 4.07Å; F1047-L1098 HydrophobicContact CE1-CD2 4.24Å; F1047-L1098 HydrophobicContact CZ-CD2 4.19Å |
| 1048 | Y | 87.2 | Confident | 76.3 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 169.9 | 177.4 | -56 | -42.4 | 0 | 0 | 0 | 110.3 | G1054 I1055 I1070 T1071 L1073 E2162 | Y1048-G1054 WeakPolarHBondContact CE1-O 3.47Å; Y1048-I1055 VanDerWaalsContact CD1-O 3.28Å; Y1048-I1055 WeakPolarHBondContact CD1-O 3.49Å; Y1048-I1070 WeakPolarHBondContact O-CA 3.41Å; Y1048-T1071 PolarHBondContact N-O 2.65Å; Y1048-T1071 PolarHBondContact O-N 3.1Å; Y1048-L1073 HydrophobicContact CD2-CB 4.14Å; Y1048-L1073 HydrophobicContact CE2-CB 3.56Å; Y1048-L1073 HydrophobicContact CE2-CD2 3.73Å; Y1048-L1073 HydrophobicContact CE2-CG 4.28Å; Y1048-E2162 PolarHBondContact OH-O 2.74Å |
| 1049 | T | 82.2 | Confident | 76.1 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.7 | 173.4 | -178 | 0 | 0 | 0 | 0 | 113.1 | K1051 L1052 H1069 | T1049-K1051 PolarHBondContact O-N 2.79Å; T1049-K1051 VanDerWaalsContact O-N 3.1Å; T1049-L1052 HydrophobicContact CG2-CB 3.99Å; T1049-L1052 CarbonylContact O-C 3.49Å; T1049-L1052 PolarHBondContact O-N 2.87Å; T1049-H1069 CarbonylContact C-O 3.58Å; T1049-H1069 WeakPolarHBondContact CA-O 3.25Å; T1049-H1069 WeakPolarHBondContact CB-O 2.97Å; T1049-H1069 PolarHBondContact OG1-O 2.94Å |
| 1050 | T | 70.8 | Confident | 76.5 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.4 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | L1014 K1068 H1069 T1071 | L1014-T1050 HydrophobicContact CD1-CG2 4.1Å; T1050-K1068 WeakPolarHBondContact CG2-O 3.28Å; T1050-K1068 PolarHBondContact OG1-O 2.84Å; T1050-H1069 PolarHBondContact N-O 2.89Å; T1050-H1069 WeakPolarHBondContact OG1-CA 3.06Å; T1050-T1071 HydrophobicContact CG2-CG2 3.85Å |
| 1051 | K | 69.5 | Low | 77.4 | Confident | 131 Ų | 131 | 35.5 Ų | 35.5 | 57% | 0.57 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -27.1 | 175 | -71.9 | 171.9 | 178.6 | 152.1 | 0 | 113.8 | T1049 H1069 | T1049-K1051 PolarHBondContact O-N 2.79Å; T1049-K1051 VanDerWaalsContact O-N 3.1Å; K1051-H1069 WeakPolarHBondContact CE-NE2 3.5Å; K1051-H1069 PolarHBondContact NZ-CE1 2.64Å; K1051-H1069 PolarHBondContact NZ-ND1 3.17Å; K1051-H1069 PolarHBondContact NZ-NE2 3.3Å |
| 1052 | L | 58.8 | Low | 78.6 | Confident | 68 Ų | 68 | 32.5 Ų | 32.5 | 36% | 0.356 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 90.3 | -176.3 | -60.1 | 166.7 | 0 | 0 | 0 | 106.3 | T1049 S2159 | T1049-L1052 HydrophobicContact CG2-CB 3.99Å; T1049-L1052 CarbonylContact O-C 3.49Å; T1049-L1052 PolarHBondContact O-N 2.87Å; L1052-S2159 VanDerWaalsContact C-CB 3.45Å; L1052-S2159 VanDerWaalsContact CB-CB 3.47Å; L1052-S2159 WeakPolarHBondContact CB-OG 3.39Å; L1052-S2159 WeakPolarHBondContact O-CB 3.29Å; L1052-S2159 PolarHBondContact O-OG 2.67Å; L1052-S2159 VanDerWaalsContact O-OG 3.12Å |
| 1053 | P | 60.1 | Low | 79.2 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.1 | -174.6 | -22.8 | 34.8 | 0 | 0 | 0 | 112.5 | S2159 F2160 | P1053-S2159 VanDerWaalsContact O-CB 3.27Å; P1053-S2159 WeakPolarHBondContact O-CB 3.42Å; P1053-F2160 HydrophobicContact CB-CD1 3.93Å; P1053-F2160 HydrophobicContact CB-CE1 3.96Å; P1053-F2160 VanDerWaalsContact O-CA 3.28Å; P1053-F2160 WeakPolarHBondContact O-CA 3.46Å; P1053-F2160 VanDerWaalsContact O-CB 3.29Å; P1053-F2160 WeakPolarHBondContact O-CB 3.42Å; P1053-F2160 WeakPolarHBondContact O-CD1 3.35Å; P1053-F2160 WeakPolarHBondContact O-CG 3.28Å |
| 1054 | G | 62.2 | Low | 80.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.3 | 2.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | Y1048 A2161 E2162 | Y1048-G1054 WeakPolarHBondContact CE1-O 3.47Å; G1054-A2161 CarbonylContact O-C 3.55Å; G1054-A2161 WeakPolarHBondContact O-CA 3.43Å; G1054-A2161 PolarHBondContact O-N 2.86Å; G1054-E2162 PolarHBondContact O-N 2.65Å; G1054-E2162 VanDerWaalsContact O-N 3.12Å |
| 1055 | I | 70.2 | Confident | 80.5 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155.7 | 161.6 | 135.6 | -179.7 | 0 | 0 | 0 | 108.2 | Y1048 V2158 F2160 E2162 | Y1048-I1055 VanDerWaalsContact CD1-O 3.28Å; Y1048-I1055 WeakPolarHBondContact CD1-O 3.49Å; I1055-V2158 CarbonylContact C-O 3.15Å; I1055-V2158 VanDerWaalsContact C-O 3.31Å; I1055-V2158 HydrophobicContact CD1-CB 4.07Å; I1055-V2158 HydrophobicContact CD1-CG1 4.26Å; I1055-V2158 HydrophobicContact CD1-CG2 3.86Å; I1055-V2158 VanDerWaalsContact CG1-CA 3.42Å; I1055-V2158 HydrophobicContact CG1-CB 3.74Å; I1055-V2158 HydrophobicContact CG1-CG1 3.48Å; I1055-V2158 VanDerWaalsContact CG1-CG1 3.48Å; I1055-V2158 HydrophobicContact CG1-CG2 4.03Å; I1055-F2160 WeakPolarHBondContact CG2-O 3.37Å; I1055-E2162 HydrophobicContact CB-CB 3.53Å; I1055-E2162 HydrophobicContact CB-CG 3.86Å; I1055-E2162 HydrophobicContact CD1-CB 4.3Å; I1055-E2162 VanDerWaalsContact CD1-CD 3.4Å; I1055-E2162 HydrophobicContact CD1-CG 3.6Å; I1055-E2162 WeakPolarHBondContact CD1-OE1 3.47Å; I1055-E2162 HydrophobicContact CG1-CB 3.69Å; I1055-E2162 HydrophobicContact CG1-CG 3.53Å; I1055-E2162 WeakPolarHBondContact CG1-OE2 3.23Å |
| 1056 | S | 77.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.9 | -140.2 | -167.2 | 0 | 0 | 0 | 0 | 114.4 | S1046 V2158 E2162 | S1046-S1056 WeakPolarHBondContact CB-OG 2.99Å; S1046-S1056 WeakPolarHBondContact OG-CB 3.15Å; S1046-S1056 PolarHBondContact OG-OG 3.3Å; S1056-V2158 WeakPolarHBondContact O-CG1 3.37Å; S1056-E2162 PolarHBondContact N-OE2 3.16Å |
| 1057 | I | 85.1 | Confident | 80.4 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.4 | 170.5 | 59.8 | 171.6 | 0 | 0 | 0 | 110.6 | F1047 F1060 I1070 | F1047-I1057 HydrophobicContact CB-CG1 4.06Å; F1047-I1057 WeakPolarHBondContact CB-O 3.34Å; F1047-I1057 WeakPolarHBondContact O-CG1 3.45Å; F1047-I1057 PolarHBondContact O-N 3.14Å; I1057-F1060 HydrophobicContact CD1-CD1 4.43Å; I1057-I1070 HydrophobicContact CD1-CD1 3.54Å |
| 1058 | H | 86.6 | Confident | 80.1 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | trans | -119.4 | -6.8 | -178.2 | 48 | -85 | 0 | 0 | 0 | 112.1 | F1038 | F1038-H1058 PolarHBondContact N-O 3.38Š| ||
| 1059 | V | 87.8 | Confident | 80 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.9 | 168.9 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | L1035 Y1036 H1037 | L1035-V1059 HydrophobicContact CB-CG1 4.49Å; Y1036-V1059 VanDerWaalsContact O-CA 3.31Å; Y1036-V1059 WeakPolarHBondContact O-CA 3.24Å; H1037-V1059 WeakPolarHBondContact ND1-CG2 3.44Å |
| 1060 | F | 90.7 | Very high | 80.4 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.9 | 172.4 | 51.4 | -103 | 0 | 0 | 0 | 111.2 | L1020 Y1036 F1038 F1047 I1057 D1064 V1065 I1070 | L1020-F1060 HydrophobicContact CD1-CZ 4.42Å; Y1036-F1060 HydrophobicContact CD1-CE2 4.46Å; Y1036-F1060 HydrophobicContact CD2-CD2 4.09Å; Y1036-F1060 HydrophobicContact CD2-CE2 4.03Å; Y1036-F1060 HydrophobicContact CG-CD2 4.22Å; Y1036-F1060 AromaticContact CG-CE2 3.85Å; Y1036-F1060 HydrophobicContact CG-CE2 3.85Å; Y1036-F1060 PolarHBondContact N-O 2.75Å; Y1036-F1060 PolarHBondContact O-N 3.35Å; F1038-F1060 AromaticContact CD2-CE1 3.9Å; F1038-F1060 HydrophobicContact CD2-CE1 3.9Å; F1038-F1060 AromaticContact CD2-CZ 3.88Å; F1038-F1060 HydrophobicContact CD2-CZ 3.88Å; F1038-F1060 AromaticContact CE2-CE1 3.91Å; F1038-F1060 HydrophobicContact CE2-CE1 3.91Å; F1038-F1060 HydrophobicContact CE2-CE2 4.16Å; F1038-F1060 AromaticContact CE2-CZ 3.4Å; F1038-F1060 HydrophobicContact CE2-CZ 3.4Å; F1038-F1060 HydrophobicContact CZ-CZ 4.32Å; F1047-F1060 HydrophobicContact CB-CE1 4.3Å; F1047-F1060 HydrophobicContact CD1-CE1 4.27Å; F1047-F1060 HydrophobicContact CD2-CE1 4.05Å; F1047-F1060 HydrophobicContact CE2-CE1 4.5Å; F1047-F1060 AromaticContact CG-CE1 3.96Å; F1047-F1060 HydrophobicContact CG-CE1 3.96Å; I1057-F1060 HydrophobicContact CD1-CD1 4.43Å; F1060-D1064 HydrophobicContact CB-CB 4.49Å; F1060-V1065 HydrophobicContact CD2-CG2 3.69Å; F1060-V1065 HydrophobicContact CE2-CG2 3.5Å; F1060-I1070 HydrophobicContact CB-CD1 3.61Å; F1060-I1070 HydrophobicContact CB-CG1 4.31Å; F1060-I1070 HydrophobicContact CD1-CD1 4.04Å; F1060-I1070 HydrophobicContact CD1-CG1 4.4Å; F1060-I1070 HydrophobicContact CD1-CG2 4.15Å; F1060-I1070 HydrophobicContact CD2-CD1 4.33Å; F1060-I1070 HydrophobicContact CD2-CG1 4.13Å; F1060-I1070 HydrophobicContact CE1-CG2 3.94Å; F1060-I1070 HydrophobicContact CG-CD1 3.76Å; F1060-I1070 HydrophobicContact CG-CG1 4.04Å; F1060-I1070 HydrophobicContact CZ-CG2 4.19Å |
| 1061 | S | 90.1 | Very high | 81.2 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 159.5 | -178.9 | 75.2 | 0 | 0 | 0 | 0 | 113 | L1034 H1063 D1064 V1065 | L1034-S1061 CarbonylContact O-C 3.6Å; L1034-S1061 WeakPolarHBondContact O-CA 3.16Å; S1061-H1063 PolarHBondContact O-N 2.92Å; S1061-H1063 VanDerWaalsContact O-N 3.17Å; S1061-H1063 WeakPolarHBondContact OG-CB 3.31Å; S1061-H1063 PolarHBondContact OG-N 3.08Å; S1061-D1064 WeakPolarHBondContact CB-OD2 2.95Å; S1061-D1064 PolarHBondContact N-OD2 3.05Å; S1061-D1064 PolarHBondContact O-N 2.9Å; S1061-D1064 PolarHBondContact OG-N 3.4Å; S1061-D1064 PolarHBondContact OG-OD2 3.33Å; S1061-V1065 PolarHBondContact O-N 2.53Å |
| 1062 | Q | 88.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.2 | -29.4 | 168 | 177.4 | 64.3 | 89.2 | 0 | 0 | 111.7 | S1021 Y1022 S1031 L1034 Y1036 D1064 N1066 | S1021-Q1062 VanDerWaalsContact CA-OE1 3.3Å; Y1022-Q1062 PolarHBondContact O-OE1 3.34Å; S1031-Q1062 CarbonylContact O-C 3.53Å; S1031-Q1062 WeakPolarHBondContact O-CB 3.02Å; S1031-Q1062 PolarHBondContact O-N 2.93Å; L1034-Q1062 HydrophobicContact CB-CB 3.86Å; L1034-Q1062 HydrophobicContact CD1-CB 4.49Å; L1034-Q1062 PolarHBondContact O-N 3.12Å; Y1036-Q1062 HydrophobicContact CE2-CB 4.02Å; Y1036-Q1062 PolarHBondContact OH-OE1 2.74Å; Q1062-D1064 VanDerWaalsContact C-N 3.34Å; Q1062-N1066 PolarHBondContact NE2-OD1 3.46Å; Q1062-N1066 VanDerWaalsContact O-CB 3.3Å; Q1062-N1066 WeakPolarHBondContact O-CB 3.2Å; Q1062-N1066 PolarHBondContact O-N 3.07Å; Q1062-N1066 PolarHBondContact O-ND2 2.89Å; Q1062-N1066 PolarHBondContact O-OD1 2.58Å |
| 1063 | H | 87.8 | Confident | 83.5 | Confident | 73 Ų | 73 | 32.4 Ų | 32.4 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 174.5 | -178.1 | 63.1 | 0 | 0 | 0 | 112.6 | S1031 R1032 S1061 N1066 S1067 | S1031-H1063 PolarHBondContact O-N 2.89Å; S1031-H1063 WeakPolarHBondContact OG-CB 3.48Å; R1032-H1063 HydrophobicContact CB-CB 4.39Å; R1032-H1063 HydrophobicContact CG-CB 3.51Å; S1061-H1063 PolarHBondContact O-N 2.92Å; S1061-H1063 VanDerWaalsContact O-N 3.17Å; S1061-H1063 WeakPolarHBondContact OG-CB 3.31Å; S1061-H1063 PolarHBondContact OG-N 3.08Å; H1063-N1066 PolarHBondContact O-N 2.84Å; H1063-S1067 VanDerWaalsContact O-CB 3.24Å; H1063-S1067 WeakPolarHBondContact O-CB 3.42Å; H1063-S1067 PolarHBondContact O-N 2.74Å; H1063-S1067 PolarHBondContact O-OG 2.97Å |
| 1064 | D | 88.7 | Confident | 84.7 | Confident | 43 Ų | 43 | 29.6 Ų | 29.6 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.3 | -40.1 | 179.3 | -58.5 | -61.4 | 0 | 0 | 0 | 111.7 | F1060 S1061 Q1062 S1067 K1068 H1069 I1070 | F1060-D1064 HydrophobicContact CB-CB 4.49Å; S1061-D1064 WeakPolarHBondContact CB-OD2 2.95Å; S1061-D1064 PolarHBondContact N-OD2 3.05Å; S1061-D1064 PolarHBondContact O-N 2.9Å; S1061-D1064 PolarHBondContact OG-N 3.4Å; S1061-D1064 PolarHBondContact OG-OD2 3.33Å; Q1062-D1064 VanDerWaalsContact C-N 3.34Å; D1064-S1067 PolarHBondContact O-N 3.42Å; D1064-S1067 VanDerWaalsContact O-N 3.17Å; D1064-K1068 PolarHBondContact O-N 2.88Å; D1064-H1069 HydrophobicContact CB-CB 4.15Å; D1064-H1069 PolarHBondContact O-N 3.17Å; D1064-H1069 IonicContact OD1-ND1 3.15Å; D1064-I1070 HydrophobicContact CB-CD1 3.85Å; D1064-I1070 HydrophobicContact CB-CG1 3.99Å |
| 1065 | V | 87.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 170 | 179 | 0 | 0 | 0 | 0 | 111 | T1016 Y1036 F1060 S1061 S1067 K1068 I1070 | T1016-V1065 VanDerWaalsContact C-CG1 3.45Å; T1016-V1065 VanDerWaalsContact O-CG1 3.32Å; T1016-V1065 WeakPolarHBondContact O-CG1 2.96Å; Y1036-V1065 HydrophobicContact CE2-CG2 4.47Å; F1060-V1065 HydrophobicContact CD2-CG2 3.69Å; F1060-V1065 HydrophobicContact CE2-CG2 3.5Å; S1061-V1065 PolarHBondContact O-N 2.53Å; V1065-S1067 PolarHBondContact O-N 3.21Å; V1065-K1068 PolarHBondContact O-N 2.87Å; V1065-I1070 HydrophobicContact CG2-CG1 4.42Å |
| 1066 | N | 84 | Confident | 85.3 | Confident | 81 Ų | 81 | 29.8 Ų | 29.8 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.1 | -24.8 | 176.5 | -71.7 | -9.8 | 0 | 0 | 0 | 113 | Q1062 H1063 | Q1062-N1066 PolarHBondContact NE2-OD1 3.46Å; Q1062-N1066 VanDerWaalsContact O-CB 3.3Å; Q1062-N1066 WeakPolarHBondContact O-CB 3.2Å; Q1062-N1066 PolarHBondContact O-N 3.07Å; Q1062-N1066 PolarHBondContact O-ND2 2.89Å; Q1062-N1066 PolarHBondContact O-OD1 2.58Å; H1063-N1066 PolarHBondContact O-N 2.84Å |
| 1067 | S | 83.4 | Confident | 85 | Confident | 42 Ų | 42 | 30.4 Ų | 30.4 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 11.3 | -176 | -57.7 | 0 | 0 | 0 | 0 | 114 | H1063 D1064 V1065 H1069 | H1063-S1067 VanDerWaalsContact O-CB 3.24Å; H1063-S1067 WeakPolarHBondContact O-CB 3.42Å; H1063-S1067 PolarHBondContact O-N 2.74Å; H1063-S1067 PolarHBondContact O-OG 2.97Å; D1064-S1067 PolarHBondContact O-N 3.42Å; D1064-S1067 VanDerWaalsContact O-N 3.17Å; V1065-S1067 PolarHBondContact O-N 3.21Å; S1067-H1069 WeakPolarHBondContact CB-CE1 3.47Å; S1067-H1069 WeakPolarHBondContact CB-ND1 3.25Å; S1067-H1069 PolarHBondContact O-N 2.69Å |
| 1068 | K | 83.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 29.8 Ų | 29.8 | 41% | 0.409 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.1 | -172.5 | -62 | -178.5 | 175.3 | -170.3 | 0 | 112.6 | L1014 T1050 D1064 V1065 E1139 | L1014-K1068 HydrophobicContact CD1-CB 4.23Å; L1014-K1068 HydrophobicContact CD2-CB 4.22Å; L1014-K1068 HydrophobicContact CD2-CD 4.09Å; L1014-K1068 HydrophobicContact CD2-CG 4.19Å; T1050-K1068 WeakPolarHBondContact CG2-O 3.28Å; T1050-K1068 PolarHBondContact OG1-O 2.84Å; D1064-K1068 PolarHBondContact O-N 2.88Å; V1065-K1068 PolarHBondContact O-N 2.87Å; K1068-E1139 IonicContact NZ-OE1 2.88Å; K1068-E1139 PolarHBondContact NZ-OE1 2.74Å |
| 1069 | H | 85.5 | Confident | 84.2 | Confident | 40 Ų | 40 | 28.9 Ų | 28.9 | 19% | 0.185 | 16% | 0.155 | C | C | . | . | trans | -92 | -4.5 | -177.1 | -72.7 | 145.5 | 0 | 0 | 0 | 114.7 | T1049 T1050 K1051 D1064 S1067 | T1049-H1069 CarbonylContact C-O 3.58Å; T1049-H1069 WeakPolarHBondContact CA-O 3.25Å; T1049-H1069 WeakPolarHBondContact CB-O 2.97Å; T1049-H1069 PolarHBondContact OG1-O 2.94Å; T1050-H1069 PolarHBondContact N-O 2.89Å; T1050-H1069 WeakPolarHBondContact OG1-CA 3.06Å; K1051-H1069 WeakPolarHBondContact CE-NE2 3.5Å; K1051-H1069 PolarHBondContact NZ-CE1 2.64Å; K1051-H1069 PolarHBondContact NZ-ND1 3.17Å; K1051-H1069 PolarHBondContact NZ-NE2 3.3Å; D1064-H1069 HydrophobicContact CB-CB 4.15Å; D1064-H1069 PolarHBondContact O-N 3.17Å; D1064-H1069 IonicContact OD1-ND1 3.15Å; S1067-H1069 WeakPolarHBondContact CB-CE1 3.47Å; S1067-H1069 WeakPolarHBondContact CB-ND1 3.25Å; S1067-H1069 PolarHBondContact O-N 2.69Å | ||
| 1070 | I | 89.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.6 | -173.5 | -47.9 | -64.4 | 0 | 0 | 0 | 110.7 | L1015 F1047 Y1048 I1057 F1060 D1064 V1065 | L1015-I1070 HydrophobicContact CD1-CG2 4Å; L1015-I1070 PolarHBondContact N-O 2.75Å; F1047-I1070 HydrophobicContact CB-CG2 4.18Å; F1047-I1070 HydrophobicContact CD1-CG2 4.32Å; Y1048-I1070 WeakPolarHBondContact O-CA 3.41Å; I1057-I1070 HydrophobicContact CD1-CD1 3.54Å; F1060-I1070 HydrophobicContact CB-CD1 3.61Å; F1060-I1070 HydrophobicContact CB-CG1 4.31Å; F1060-I1070 HydrophobicContact CD1-CD1 4.04Å; F1060-I1070 HydrophobicContact CD1-CG1 4.4Å; F1060-I1070 HydrophobicContact CD1-CG2 4.15Å; F1060-I1070 HydrophobicContact CD2-CD1 4.33Å; F1060-I1070 HydrophobicContact CD2-CG1 4.13Å; F1060-I1070 HydrophobicContact CE1-CG2 3.94Å; F1060-I1070 HydrophobicContact CG-CD1 3.76Å; F1060-I1070 HydrophobicContact CG-CG1 4.04Å; F1060-I1070 HydrophobicContact CZ-CG2 4.19Å; D1064-I1070 HydrophobicContact CB-CD1 3.85Å; D1064-I1070 HydrophobicContact CB-CG1 3.99Å; V1065-I1070 HydrophobicContact CG2-CG1 4.42Å |
| 1071 | T | 88.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 163.6 | 167.9 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | E1012 K1013 L1014 F1047 Y1048 T1050 | E1012-T1071 HydrophobicContact CB-CG2 4.48Å; E1012-T1071 VanDerWaalsContact OE2-CB 3.3Å; E1012-T1071 WeakPolarHBondContact OE2-CB 2.97Å; E1012-T1071 PolarHBondContact OE2-OG1 2.81Å; K1013-T1071 CarbonylContact O-C 3.5Å; K1013-T1071 WeakPolarHBondContact O-CA 3.42Å; L1014-T1071 HydrophobicContact CB-CG2 4.48Å; L1014-T1071 HydrophobicContact CD1-CG2 3.97Å; F1047-T1071 CarbonylContact C-O 3.22Å; F1047-T1071 WeakPolarHBondContact CA-O 3.15Å; F1047-T1071 WeakPolarHBondContact CB-O 3.4Å; Y1048-T1071 PolarHBondContact N-O 2.65Å; Y1048-T1071 PolarHBondContact O-N 3.1Å; T1050-T1071 HydrophobicContact CG2-CG2 3.85Å |
| 1072 | Y | 89.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.2 | 175 | 179.3 | -103.7 | 0 | 0 | 0 | 110.2 | V1007 K1013 E1044 G1045 S1046 F1047 H1074 Y1081 I1083 V1100 | V1007-Y1072 HydrophobicContact CG1-CD1 4.27Å; V1007-Y1072 HydrophobicContact CG2-CD1 4.1Å; K1013-Y1072 PolarHBondContact N-O 3.1Å; K1013-Y1072 PolarHBondContact O-N 3.34Å; E1044-Y1072 PolarHBondContact O-OH 2.88Å; G1045-Y1072 WeakPolarHBondContact CA-OH 3.45Å; S1046-Y1072 WeakPolarHBondContact O-CD2 3.46Å; F1047-Y1072 AromaticContact CD1-CD2 3.42Å; F1047-Y1072 HydrophobicContact CD1-CD2 3.42Å; F1047-Y1072 VanDerWaalsContact CD1-CD2 3.42Å; F1047-Y1072 HydrophobicContact CD1-CE2 4.42Å; F1047-Y1072 HydrophobicContact CD1-CG 4Å; F1047-Y1072 HydrophobicContact CD2-CD2 4.46Å; F1047-Y1072 AromaticContact CE1-CD2 3.41Å; F1047-Y1072 HydrophobicContact CE1-CD2 3.41Å; F1047-Y1072 VanDerWaalsContact CE1-CD2 3.41Å; F1047-Y1072 HydrophobicContact CE1-CE2 4.15Å; F1047-Y1072 AromaticContact CE1-CG 3.97Å; F1047-Y1072 HydrophobicContact CE1-CG 3.97Å; F1047-Y1072 HydrophobicContact CE2-CD2 4.45Å; F1047-Y1072 AromaticContact CG-CD2 3.95Å; F1047-Y1072 HydrophobicContact CG-CD2 3.95Å; F1047-Y1072 AromaticContact CZ-CD2 3.95Å; F1047-Y1072 HydrophobicContact CZ-CD2 3.95Å; F1047-Y1072 HydrophobicContact CZ-CE2 4.26Å; Y1072-H1074 HydrophobicContact CE1-CB 4.29Å; Y1072-Y1081 VanDerWaalsContact CE1-OH 3.32Å; Y1072-Y1081 WeakPolarHBondContact CE1-OH 3.47Å; Y1072-Y1081 WeakPolarHBondContact OH-CE2 3.44Å; Y1072-Y1081 PolarHBondContact OH-OH 2.95Å; Y1072-I1083 HydrophobicContact CE2-CD1 3.84Å; Y1072-V1100 HydrophobicContact CE1-CG1 4.21Å |
| 1073 | L | 86.5 | Confident | 83.4 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.8 | 176.3 | 179.3 | 65.5 | 0 | 0 | 0 | 109.7 | T1010 E1011 E1012 G1045 S1046 Y1048 T1075 | T1010-L1073 VanDerWaalsContact C-CD1 3.45Å; E1011-L1073 VanDerWaalsContact C-CD1 3.45Å; E1011-L1073 WeakPolarHBondContact O-CD1 3.21Å; E1012-L1073 HydrophobicContact CG-CB 4.37Å; E1012-L1073 HydrophobicContact CG-CD1 4.35Å; G1045-L1073 CarbonylContact C-O 3.58Å; G1045-L1073 WeakPolarHBondContact CA-O 3.25Å; S1046-L1073 PolarHBondContact N-O 2.69Å; S1046-L1073 VanDerWaalsContact N-O 3.16Å; S1046-L1073 PolarHBondContact O-N 3.2Å; Y1048-L1073 HydrophobicContact CD2-CB 4.14Å; Y1048-L1073 HydrophobicContact CE2-CB 3.56Å; Y1048-L1073 HydrophobicContact CE2-CD2 3.73Å; Y1048-L1073 HydrophobicContact CE2-CG 4.28Å; L1073-T1075 HydrophobicContact CD2-CG2 3.72Å; L1073-T1075 HydrophobicContact CG-CG2 3.77Å; L1073-T1075 PolarHBondContact O-N 2.8Å |
| 1074 | H | 84.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 114.5 | 170.6 | 175.2 | 62.2 | 0 | 0 | 0 | 110.8 | V1007 T1010 E1044 Y1072 G1076 T1078 Y1081 V1102 | V1007-H1074 HydrophobicContact CG1-CB 3.82Å; T1010-H1074 PolarHBondContact N-O 2.96Å; E1044-H1074 WeakPolarHBondContact O-CA 3.02Å; E1044-H1074 PolarHBondContact O-ND1 3.16Å; E1044-H1074 IonicContact OE2-CE1 3.84Å; Y1072-H1074 HydrophobicContact CE1-CB 4.29Å; H1074-G1076 VanDerWaalsContact CE1-C 3.48Å; H1074-G1076 PolarHBondContact CE1-O 3.36Å; H1074-G1076 PolarHBondContact NE2-O 2.79Å; H1074-T1078 PolarHBondContact CE1-O 2.85Å; H1074-Y1081 AromaticContact CE1-CE1 3.8Å; H1074-Y1081 AromaticContact ND1-CE1 3.7Å; H1074-Y1081 AromaticContact ND1-CZ 3.72Å; H1074-Y1081 PolarHBondContact ND1-OH 2.76Å; H1074-V1102 HydrophobicContact CB-CG2 4.33Å; H1074-V1102 WeakPolarHBondContact CD2-CG1 3.07Å |
| 1075 | T | 76.7 | Confident | 83.5 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | trans | -113.3 | -10.9 | -179.9 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | N74 E1044 G1045 L1073 D2163 | N74-T1075 PolarHBondContact ND2-O 3.03Å; N74-T1075 WeakPolarHBondContact OD1-CB 3.38Å; E1044-T1075 PolarHBondContact O-N 3.04Å; E1044-T1075 VanDerWaalsContact O-N 3.13Å; G1045-T1075 WeakPolarHBondContact CA-OG1 3.47Å; L1073-T1075 HydrophobicContact CD2-CG2 3.72Å; L1073-T1075 HydrophobicContact CG-CG2 3.77Å; L1073-T1075 PolarHBondContact O-N 2.8Å; T1075-D2163 WeakPolarHBondContact CB-OD2 3.5Å; T1075-D2163 WeakPolarHBondContact CG2-OD2 3.22Å; T1075-D2163 PolarHBondContact OG1-OD2 2.87Å | ||
| 1076 | G | 69.6 | Low | 83.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -79.8 | -167 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1044 H1074 | E1044-G1076 PolarHBondContact O-N 3.2Å; E1044-G1076 VanDerWaalsContact O-N 3.15Å; H1074-G1076 VanDerWaalsContact CE1-C 3.48Å; H1074-G1076 PolarHBondContact CE1-O 3.36Å; H1074-G1076 PolarHBondContact NE2-O 2.79Å |
| 1077 | D | 71.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -122.3 | 1.3 | -178.2 | -56.6 | -62.5 | 0 | 0 | 0 | 112.5 | N72 F77 D125 I128 E1044 | N72-D1077 PolarHBondContact ND2-OD1 3.16Å; N72-D1077 PolarHBondContact ND2-OD2 3.11Å; F77-D1077 HydrophobicContact CD1-CB 4Å; F77-D1077 HydrophobicContact CD2-CB 3.83Å; F77-D1077 HydrophobicContact CE1-CB 3.78Å; F77-D1077 HydrophobicContact CE2-CB 3.61Å; F77-D1077 HydrophobicContact CG-CB 4.03Å; F77-D1077 WeakPolarHBondContact CG-OD2 3.23Å; F77-D1077 HydrophobicContact CZ-CB 3.59Å; D125-D1077 WeakPolarHBondContact CB-O 3.14Å; I128-D1077 HydrophobicContact CD1-CB 3.75Å; I128-D1077 WeakPolarHBondContact CD1-OD1 3.24Å; E1044-D1077 PolarHBondContact OE2-N 3.33Å |
| 1078 | T | 77.2 | Confident | 83.9 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | trans | -87 | 123 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | F77 P123 E1044 H1074 L1080 Y1081 | F77-T1078 WeakPolarHBondContact CE2-OG1 3.46Å; F77-T1078 VanDerWaalsContact CZ-OG1 3.25Å; F77-T1078 WeakPolarHBondContact CZ-OG1 2.9Å; P123-T1078 HydrophobicContact CG-CG2 4.28Å; E1044-T1078 WeakPolarHBondContact OE1-CB 3.45Å; E1044-T1078 PolarHBondContact OE1-OG1 3.2Å; E1044-T1078 VanDerWaalsContact OE2-CB 3.25Å; E1044-T1078 WeakPolarHBondContact OE2-CB 3.3Å; E1044-T1078 PolarHBondContact OE2-N 2.93Å; E1044-T1078 PolarHBondContact OE2-OG1 3.45Å; H1074-T1078 PolarHBondContact CE1-O 2.85Å; T1078-L1080 WeakPolarHBondContact CG2-O 3.45Å; T1078-Y1081 HydrophobicContact CG2-CD1 4.02Å; T1078-Y1081 HydrophobicContact CG2-CG 4.5Å; T1078-Y1081 WeakPolarHBondContact O-CD1 3.08Å; T1078-Y1081 WeakPolarHBondContact O-CE1 3.45Å | ||
| 1079 | T | 77.7 | Confident | 83.5 | Confident | 48 Ų | 48 | 32 Ų | 32 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -74.9 | -29.3 | 179 | 54 | 0 | 0 | 0 | 0 | 114.7 | D125 N1101 V1102 | D125-T1079 HydrophobicContact CB-CG2 3.75Å; T1079-N1101 CarbonylContact O-C 3.57Å; T1079-N1101 WeakPolarHBondContact O-CA 2.57Å; T1079-V1102 PolarHBondContact O-N 3.13Å |
| 1080 | L | 84.9 | Confident | 82.6 | Confident | 101 Ų | 101 | 33.6 Ų | 33.6 | 53% | 0.529 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 112.7 | 179.6 | -178.5 | 72.4 | 0 | 0 | 0 | 110.9 | T1078 I1099 N1101 | T1078-L1080 WeakPolarHBondContact CG2-O 3.45Å; L1080-I1099 HydrophobicContact CD1-CG2 4.15Å; L1080-N1101 HydrophobicContact CD1-CB 3.88Å |
| 1081 | Y | 84.5 | Confident | 81.4 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 9% | 0.09 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 173.2 | -176.2 | 53.4 | -86.6 | 0 | 0 | 0 | 112.4 | E1044 Y1072 H1074 T1078 I1083 V1100 V1102 | E1044-Y1081 HydrophobicContact CB-CD1 3.98Å; E1044-Y1081 HydrophobicContact CB-CD2 3.72Å; E1044-Y1081 HydrophobicContact CB-CE1 3.67Å; E1044-Y1081 HydrophobicContact CB-CE2 3.38Å; E1044-Y1081 HydrophobicContact CB-CG 4Å; E1044-Y1081 HydrophobicContact CG-CD1 3.85Å; E1044-Y1081 HydrophobicContact CG-CD2 3.77Å; E1044-Y1081 HydrophobicContact CG-CE1 4.08Å; E1044-Y1081 HydrophobicContact CG-CE2 3.99Å; E1044-Y1081 HydrophobicContact CG-CG 3.69Å; Y1072-Y1081 VanDerWaalsContact CE1-OH 3.32Å; Y1072-Y1081 WeakPolarHBondContact CE1-OH 3.47Å; Y1072-Y1081 WeakPolarHBondContact OH-CE2 3.44Å; Y1072-Y1081 PolarHBondContact OH-OH 2.95Å; H1074-Y1081 AromaticContact CE1-CE1 3.8Å; H1074-Y1081 AromaticContact ND1-CE1 3.7Å; H1074-Y1081 AromaticContact ND1-CZ 3.72Å; H1074-Y1081 PolarHBondContact ND1-OH 2.76Å; T1078-Y1081 HydrophobicContact CG2-CD1 4.02Å; T1078-Y1081 HydrophobicContact CG2-CG 4.5Å; T1078-Y1081 WeakPolarHBondContact O-CD1 3.08Å; T1078-Y1081 WeakPolarHBondContact O-CE1 3.45Å; Y1081-I1083 HydrophobicContact CD2-CG1 3.92Å; Y1081-I1083 HydrophobicContact CE2-CD1 4.07Å; Y1081-I1083 HydrophobicContact CE2-CG1 3.9Å; Y1081-V1100 HydrophobicContact CD2-CB 4Å; Y1081-V1100 HydrophobicContact CD2-CG2 4.35Å; Y1081-V1100 HydrophobicContact CE1-CB 4.19Å; Y1081-V1100 HydrophobicContact CE1-CG1 4.1Å; Y1081-V1100 HydrophobicContact CE2-CB 3.51Å; Y1081-V1100 HydrophobicContact CE2-CG1 3.94Å; Y1081-V1100 HydrophobicContact CE2-CG2 3.78Å; Y1081-V1100 PolarHBondContact N-O 3.13Å; Y1081-V1100 VanDerWaalsContact N-O 3.1Å; Y1081-V1100 PolarHBondContact O-N 3.05Å; Y1081-V1100 WeakPolarHBondContact OH-CG1 3.36Å; Y1081-V1102 HydrophobicContact CE1-CG2 3.74Å |
| 1082 | K | 85.2 | Confident | 80.5 | Confident | 119 Ų | 119 | 41.3 Ų | 41.3 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 111.8 | -179.2 | -56.2 | -168.3 | -178.9 | -169.5 | 0 | 109 | P1084 L1098 I1099 | K1082-P1084 WeakPolarHBondContact O-CD 3.28Å; K1082-L1098 CarbonylContact C-O 3.59Å; K1082-L1098 VanDerWaalsContact CA-O 3.28Å; K1082-L1098 WeakPolarHBondContact CA-O 3.33Å; K1082-I1099 HydrophobicContact CD-CD1 4.42Å; K1082-I1099 HydrophobicContact CD-CG1 4.22Å; K1082-I1099 HydrophobicContact CG-CG1 4.2Å |
| 1083 | I | 86.5 | Confident | 80 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.3 | 174.6 | -39.1 | -179.6 | 0 | 0 | 0 | 107.3 | F1038 M1042 F1047 Y1072 Y1081 R1097 L1098 V1100 | F1038-I1083 HydrophobicContact CD1-CB 4.34Å; F1038-I1083 HydrophobicContact CD1-CG2 3.74Å; F1038-I1083 HydrophobicContact CE1-CB 4.38Å; F1038-I1083 HydrophobicContact CE1-CG2 4.27Å; M1042-I1083 HydrophobicContact CG-CG2 4.06Å; M1042-I1083 HydrophobicContact SD-CD1 4.49Å; M1042-I1083 HydrophobicContact SD-CG2 3.94Å; F1047-I1083 HydrophobicContact CZ-CD1 4.07Å; Y1072-I1083 HydrophobicContact CE2-CD1 3.84Å; Y1081-I1083 HydrophobicContact CD2-CG1 3.92Å; Y1081-I1083 HydrophobicContact CE2-CD1 4.07Å; Y1081-I1083 HydrophobicContact CE2-CG1 3.9Å; I1083-R1097 WeakPolarHBondContact O-CA 3.22Å; I1083-L1098 HydrophobicContact CB-CB 4.48Å; I1083-L1098 HydrophobicContact CD1-CD2 4.41Å; I1083-L1098 PolarHBondContact N-O 3.24Å; I1083-L1098 PolarHBondContact O-N 3.2Å; I1083-V1100 HydrophobicContact CD1-CG2 4.06Å; I1083-V1100 HydrophobicContact CG1-CG2 4.23Å |
| 1084 | P | 88.1 | Confident | 79.8 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 53% | 0.532 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 143.1 | 172.6 | 31.3 | -33.8 | 0 | 0 | 0 | 109.5 | P1039 K1082 | P1039-P1084 WeakPolarHBondContact CD-O 3.27Å; P1039-P1084 HydrophobicContact CG-CG 4.37Å; K1082-P1084 WeakPolarHBondContact O-CD 3.28Å |
| 1085 | F | 90.5 | Very high | 79.7 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 166.8 | 171.3 | 67.8 | -92.2 | 0 | 0 | 0 | 110.6 | L1020 Y1022 Y1036 H1037 F1038 V1087 D1096 R1097 L1098 | L1020-F1085 HydrophobicContact CD2-CE1 3.73Å; L1020-F1085 HydrophobicContact CD2-CE2 4.45Å; L1020-F1085 HydrophobicContact CD2-CZ 3.67Å; Y1022-F1085 HydrophobicContact CE2-CE2 4.13Å; Y1022-F1085 HydrophobicContact CE2-CZ 4.33Å; Y1036-F1085 AromaticContact CD1-CD2 3.9Å; Y1036-F1085 HydrophobicContact CD1-CD2 3.9Å; Y1036-F1085 AromaticContact CD1-CE2 3.77Å; Y1036-F1085 HydrophobicContact CD1-CE2 3.77Å; Y1036-F1085 HydrophobicContact CE1-CD2 4.48Å; Y1036-F1085 AromaticContact CE1-CE2 3.88Å; Y1036-F1085 HydrophobicContact CE1-CE2 3.88Å; Y1036-F1085 HydrophobicContact CE1-CZ 4.46Å; H1037-F1085 VanDerWaalsContact O-CA 3.29Å; H1037-F1085 WeakPolarHBondContact O-CA 3.42Å; H1037-F1085 WeakPolarHBondContact O-CB 3.46Å; F1038-F1085 HydrophobicContact CD1-CB 3.63Å; F1038-F1085 HydrophobicContact CD1-CD1 4.47Å; F1038-F1085 HydrophobicContact CD1-CG 4.39Å; F1038-F1085 HydrophobicContact CD2-CB 4.17Å; F1038-F1085 HydrophobicContact CE1-CB 3.56Å; F1038-F1085 AromaticContact CE1-CD1 3.59Å; F1038-F1085 HydrophobicContact CE1-CD1 3.59Å; F1038-F1085 HydrophobicContact CE1-CE1 4.5Å; F1038-F1085 AromaticContact CE1-CG 3.81Å; F1038-F1085 HydrophobicContact CE1-CG 3.81Å; F1038-F1085 HydrophobicContact CE2-CB 4.08Å; F1038-F1085 HydrophobicContact CE2-CG 4.26Å; F1038-F1085 HydrophobicContact CG-CB 3.95Å; F1038-F1085 HydrophobicContact CZ-CB 3.79Å; F1038-F1085 AromaticContact CZ-CD1 3.68Å; F1038-F1085 HydrophobicContact CZ-CD1 3.68Å; F1038-F1085 HydrophobicContact CZ-CD2 4.4Å; F1038-F1085 HydrophobicContact CZ-CE1 4.32Å; F1038-F1085 AromaticContact CZ-CG 3.73Å; F1038-F1085 HydrophobicContact CZ-CG 3.73Å; F1085-V1087 HydrophobicContact CD2-CG2 3.95Å; F1085-V1087 HydrophobicContact CE2-CG2 3.63Å; F1085-D1096 HydrophobicContact CE1-CB 4.25Å; F1085-D1096 HydrophobicContact CE2-CB 4.02Å; F1085-D1096 HydrophobicContact CZ-CB 3.83Å; F1085-D1096 PolarHBondContact N-O 2.95Å; F1085-D1096 PolarHBondContact O-N 3.25Å; F1085-D1096 VanDerWaalsContact O-O 3.04Å; F1085-R1097 VanDerWaalsContact CE1-C 3.42Å; F1085-L1098 HydrophobicContact CD1-CB 4.25Å; F1085-L1098 HydrophobicContact CE1-CB 4.09Å |
| 1086 | Y | 90.5 | Very high | 80.2 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.1 | 164.6 | 63 | -92.7 | 0 | 0 | 0 | 111.4 | H1037 V1093 V1094 | H1037-Y1086 HydrophobicContact CB-CD1 3.94Å; H1037-Y1086 HydrophobicContact CB-CD2 3.85Å; H1037-Y1086 HydrophobicContact CB-CE1 3.54Å; H1037-Y1086 HydrophobicContact CB-CE2 3.45Å; H1037-Y1086 VanDerWaalsContact CB-CE2 3.45Å; H1037-Y1086 HydrophobicContact CB-CG 4.09Å; H1037-Y1086 AromaticContact CD2-CE2 3.47Å; H1037-Y1086 VanDerWaalsContact CD2-CE2 3.47Å; H1037-Y1086 WeakPolarHBondContact CD2-CE2 3.49Å; H1037-Y1086 AromaticContact CG-CE2 3.41Å; H1037-Y1086 VanDerWaalsContact CG-CE2 3.41Å; H1037-Y1086 AromaticContact CG-CZ 3.5Å; H1037-Y1086 PolarHBondContact N-O 2.88Å; H1037-Y1086 AromaticContact ND1-CZ 3.96Å; H1037-Y1086 PolarHBondContact O-N 3.32Å; Y1086-V1093 HydrophobicContact CD2-CG1 3.67Å; Y1086-V1093 HydrophobicContact CE2-CG1 4.46Å; Y1086-V1093 HydrophobicContact CG-CG1 3.89Å; Y1086-V1094 CarbonylContact C-O 3.37Å; Y1086-V1094 VanDerWaalsContact CA-O 3.3Å; Y1086-V1094 WeakPolarHBondContact CA-O 3.37Å |
| 1087 | V | 88.6 | Confident | 81 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.3 | 171.5 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | P995 Y1022 L1034 L1035 Y1036 F1085 V1094 | P995-V1087 HydrophobicContact CB-CG1 4.41Å; Y1022-V1087 HydrophobicContact CD1-CB 3.91Å; Y1022-V1087 HydrophobicContact CD1-CG1 3.93Å; Y1022-V1087 HydrophobicContact CD1-CG2 3.85Å; Y1022-V1087 HydrophobicContact CD2-CG2 3.92Å; Y1022-V1087 HydrophobicContact CE1-CB 3.94Å; Y1022-V1087 HydrophobicContact CE1-CG1 4.47Å; Y1022-V1087 HydrophobicContact CE1-CG2 3.76Å; Y1022-V1087 HydrophobicContact CE2-CG2 3.85Å; Y1022-V1087 HydrophobicContact CG-CB 4.36Å; Y1022-V1087 HydrophobicContact CG-CG1 4.17Å; Y1022-V1087 HydrophobicContact CG-CG2 3.92Å; L1034-V1087 HydrophobicContact CB-CG1 4.48Å; L1034-V1087 HydrophobicContact CD2-CG1 4.28Å; L1035-V1087 WeakPolarHBondContact O-CA 3.47Å; Y1036-V1087 HydrophobicContact CD1-CG2 3.82Å; Y1036-V1087 HydrophobicContact CE1-CG2 3.81Å; Y1036-V1087 HydrophobicContact CG-CG2 4.41Å; F1085-V1087 HydrophobicContact CD2-CG2 3.95Å; F1085-V1087 HydrophobicContact CE2-CG2 3.63Å; V1087-V1094 PolarHBondContact N-O 3.41Å; V1087-V1094 PolarHBondContact O-N 2.94Å |
| 1088 | T | 83.7 | Confident | 81.7 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.4 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | F1033 L1034 L1035 G1090 H1092 | F1033-T1088 VanDerWaalsContact O-O 3.13Å; L1034-T1088 WeakPolarHBondContact CA-O 3.05Å; L1035-T1088 HydrophobicContact CB-CG2 4.2Å; L1035-T1088 PolarHBondContact N-O 3.4Å; L1035-T1088 PolarHBondContact O-N 3.26Å; T1088-G1090 PolarHBondContact OG1-N 2.95Å; T1088-H1092 VanDerWaalsContact CA-O 3.32Å; T1088-H1092 WeakPolarHBondContact CA-O 3.39Å; T1088-H1092 VanDerWaalsContact CB-O 3.28Å; T1088-H1092 WeakPolarHBondContact CB-O 3.46Å; T1088-H1092 PolarHBondContact OG1-O 2.68Å |
| 1089 | D | 75.8 | Confident | 82.2 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -93.4 | -3.2 | 168.2 | 54.9 | 16.1 | 0 | 0 | 0 | 112.4 | P995 L1034 K1091 H1092 | P995-D1089 WeakPolarHBondContact CD-OD2 3.26Å; P995-D1089 HydrophobicContact CG-CB 4.02Å; L1034-D1089 HydrophobicContact CD2-CB 4.37Å; D1089-K1091 WeakPolarHBondContact OD1-CA 3.42Å; D1089-K1091 PolarHBondContact OD1-N 2.85Å; D1089-H1092 PolarHBondContact OD1-N 3.28Å; D1089-H1092 IonicContact OD1-ND1 2.82Å; D1089-H1092 IonicContact OD2-CE1 3.89Å; D1089-H1092 IonicContact OD2-CG 3.67Å; D1089-H1092 IonicContact OD2-ND1 3.88Å; D1089-H1092 PolarHBondContact OD2-ND1 3.22Å |
| 1090 | G | 65.3 | Low | 82.6 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 75% | 0.753 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 100.3 | -1.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1088 | T1088-G1090 PolarHBondContact OG1-N 2.95Š|
| 1091 | K | 63.5 | Low | 82.7 | Confident | 128 Ų | 128 | 54 Ų | 54 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -136.6 | -38.7 | 179.9 | -177.9 | 170.2 | -178.5 | 169.5 | 0 | 113.6 | G991 D1089 | G991-K1091 VanDerWaalsContact O-CD 3.31Å; G991-K1091 WeakPolarHBondContact O-CD 3.41Å; G991-K1091 WeakPolarHBondContact O-CE 3.37Å; G991-K1091 PolarHBondContact O-NZ 3.28Å; D1089-K1091 WeakPolarHBondContact OD1-CA 3.42Å; D1089-K1091 PolarHBondContact OD1-N 2.85Å |
| 1092 | H | 70.1 | Confident | 82.6 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | trans | -109.2 | 153.9 | 175.4 | -46.8 | 104 | 0 | 0 | 0 | 109.9 | N993 P994 T1088 D1089 | N993-H1092 VanDerWaalsContact C-CE1 3.41Å; N993-H1092 PolarHBondContact N-CE1 2.71Å; N993-H1092 PolarHBondContact O-CE1 3.09Å; N993-H1092 PolarHBondContact O-ND1 3.21Å; P994-H1092 HydrophobicContact CB-CB 3.79Å; T1088-H1092 VanDerWaalsContact CA-O 3.32Å; T1088-H1092 WeakPolarHBondContact CA-O 3.39Å; T1088-H1092 VanDerWaalsContact CB-O 3.28Å; T1088-H1092 WeakPolarHBondContact CB-O 3.46Å; T1088-H1092 PolarHBondContact OG1-O 2.68Å; D1089-H1092 PolarHBondContact OD1-N 3.28Å; D1089-H1092 IonicContact OD1-ND1 2.82Å; D1089-H1092 IonicContact OD2-CE1 3.89Å; D1089-H1092 IonicContact OD2-CG 3.67Å; D1089-H1092 IonicContact OD2-ND1 3.88Å; D1089-H1092 PolarHBondContact OD2-ND1 3.22Å | ||
| 1093 | V | 79 | Confident | 82.4 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.8 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | Y1086 | Y1086-V1093 HydrophobicContact CD2-CG1 3.67Å; Y1086-V1093 HydrophobicContact CE2-CG1 4.46Å; Y1086-V1093 HydrophobicContact CG-CG1 3.89Å |
| 1094 | V | 82.6 | Confident | 82 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 22% | 0.218 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 106.5 | -178 | -177 | 0 | 0 | 0 | 0 | 109.1 | P994 Y1022 Y1086 V1087 | P994-V1094 HydrophobicContact CB-CG2 4.06Å; Y1022-V1094 HydrophobicContact CE1-CB 4.34Å; Y1022-V1094 HydrophobicContact CE1-CG1 3.99Å; Y1086-V1094 CarbonylContact C-O 3.37Å; Y1086-V1094 VanDerWaalsContact CA-O 3.3Å; Y1086-V1094 WeakPolarHBondContact CA-O 3.37Å; V1087-V1094 PolarHBondContact N-O 3.41Å; V1087-V1094 PolarHBondContact O-N 2.94Å |
| 1095 | E | 83.9 | Confident | 81.5 | Confident | 174 Ų | 174 | 53.3 Ų | 53.3 | 81% | 0.813 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.3 | 177.2 | -62 | 177.4 | 176.3 | 0 | 0 | 111.5 | ||
| 1096 | D | 86.6 | Confident | 81 | Confident | 35 Ų | 35 | 55 Ų | 55 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -172 | 177.2 | -164.7 | 7.6 | 0 | 0 | 0 | 111.1 | R997 Y1022 F1085 | R997-D1096 VanDerWaalsContact CD-OD2 3.29Å; R997-D1096 WeakPolarHBondContact CD-OD2 3.41Å; R997-D1096 IonicContact CZ-OD2 3.6Å; R997-D1096 IonicContact NE-OD2 2.68Å; R997-D1096 VanDerWaalsContact NH1-CG 3.33Å; R997-D1096 IonicContact NH1-OD1 3.54Å; R997-D1096 PolarHBondContact NH1-OD1 3.19Å; R997-D1096 IonicContact NH1-OD2 3.14Å; R997-D1096 PolarHBondContact NH1-OD2 2.98Å; Y1022-D1096 VanDerWaalsContact OH-CB 3.23Å; Y1022-D1096 WeakPolarHBondContact OH-CB 3.1Å; Y1022-D1096 PolarHBondContact OH-OD2 2.87Å; Y1022-D1096 VanDerWaalsContact OH-OD2 3.07Å; F1085-D1096 HydrophobicContact CE1-CB 4.25Å; F1085-D1096 HydrophobicContact CE2-CB 4.02Å; F1085-D1096 HydrophobicContact CZ-CB 3.83Å; F1085-D1096 PolarHBondContact N-O 2.95Å; F1085-D1096 PolarHBondContact O-N 3.25Å; F1085-D1096 VanDerWaalsContact O-O 3.04Å |
| 1097 | R | 85.5 | Confident | 80.6 | Confident | 114 Ų | 114 | 51 Ų | 51 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135.2 | -175 | 66 | -159.7 | -179.3 | -150.3 | -5.8 | 112.6 | D1002 I1083 F1085 | D1002-R1097 IonicContact OD1-NH2 2.65Å; D1002-R1097 IonicContact OD2-CZ 3.27Å; D1002-R1097 VanDerWaalsContact OD2-CZ 3.32Å; D1002-R1097 IonicContact OD2-NE 2.74Å; D1002-R1097 PolarHBondContact OD2-NE 2.95Å; D1002-R1097 VanDerWaalsContact OD2-NE 3.08Å; D1002-R1097 IonicContact OD2-NH2 3.7Å; D1002-R1097 PolarHBondContact OD2-NH2 2.85Å; I1083-R1097 WeakPolarHBondContact O-CA 3.22Å; F1085-R1097 VanDerWaalsContact CE1-C 3.42Å |
| 1098 | L | 87.1 | Confident | 80 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.8 | 167.7 | 179.4 | 60.2 | 0 | 0 | 0 | 108 | C1005 L1020 F1038 F1047 K1082 I1083 F1085 V1100 | C1005-L1098 HydrophobicContact CB-CD1 4.07Å; L1020-L1098 HydrophobicContact CD2-CB 4.47Å; L1020-L1098 HydrophobicContact CD2-CD1 4.04Å; L1020-L1098 HydrophobicContact CG-CD1 4.35Å; F1038-L1098 HydrophobicContact CE1-CB 4.26Å; F1038-L1098 HydrophobicContact CE1-CD2 4.36Å; F1047-L1098 HydrophobicContact CE1-CD2 4.24Å; F1047-L1098 HydrophobicContact CZ-CD2 4.19Å; K1082-L1098 CarbonylContact C-O 3.59Å; K1082-L1098 VanDerWaalsContact CA-O 3.28Å; K1082-L1098 WeakPolarHBondContact CA-O 3.33Å; I1083-L1098 HydrophobicContact CB-CB 4.48Å; I1083-L1098 HydrophobicContact CD1-CD2 4.41Å; I1083-L1098 PolarHBondContact N-O 3.24Å; I1083-L1098 PolarHBondContact O-N 3.2Å; F1085-L1098 HydrophobicContact CD1-CB 4.25Å; F1085-L1098 HydrophobicContact CE1-CB 4.09Å; L1098-V1100 HydrophobicContact CD2-CG2 4.06Å; L1098-V1100 HydrophobicContact CG-CG2 3.9Å |
| 1099 | I | 86.5 | Confident | 79.8 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119 | 173.2 | -53.3 | -172.7 | 0 | 0 | 0 | 107.7 | D1002 V1004 C1005 L1080 K1082 | D1002-I1099 HydrophobicContact CB-CD1 3.81Å; V1004-I1099 HydrophobicContact CG1-CG2 4.46Å; V1004-I1099 HydrophobicContact CG2-CB 4.49Å; V1004-I1099 HydrophobicContact CG2-CG2 4.23Å; C1005-I1099 PolarHBondContact N-O 3.39Å; L1080-I1099 HydrophobicContact CD1-CG2 4.15Å; K1082-I1099 HydrophobicContact CD-CD1 4.42Å; K1082-I1099 HydrophobicContact CD-CG1 4.22Å; K1082-I1099 HydrophobicContact CG-CG1 4.2Å |
| 1100 | V | 86.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.8 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | C1005 V1007 Y1072 Y1081 I1083 L1098 V1102 | C1005-V1100 WeakPolarHBondContact O-CA 3.13Å; V1007-V1100 HydrophobicContact CB-CG1 4.17Å; V1007-V1100 HydrophobicContact CG2-CG1 3.63Å; Y1072-V1100 HydrophobicContact CE1-CG1 4.21Å; Y1081-V1100 HydrophobicContact CD2-CB 4Å; Y1081-V1100 HydrophobicContact CD2-CG2 4.35Å; Y1081-V1100 HydrophobicContact CE1-CB 4.19Å; Y1081-V1100 HydrophobicContact CE1-CG1 4.1Å; Y1081-V1100 HydrophobicContact CE2-CB 3.51Å; Y1081-V1100 HydrophobicContact CE2-CG1 3.94Å; Y1081-V1100 HydrophobicContact CE2-CG2 3.78Å; Y1081-V1100 PolarHBondContact N-O 3.13Å; Y1081-V1100 VanDerWaalsContact N-O 3.1Å; Y1081-V1100 PolarHBondContact O-N 3.05Å; Y1081-V1100 WeakPolarHBondContact OH-CG1 3.36Å; I1083-V1100 HydrophobicContact CD1-CG2 4.06Å; I1083-V1100 HydrophobicContact CG1-CG2 4.23Å; L1098-V1100 HydrophobicContact CD2-CG2 4.06Å; L1098-V1100 HydrophobicContact CG-CG2 3.9Å; V1100-V1102 HydrophobicContact CG1-CG2 4.43Å |
| 1101 | N | 86.3 | Confident | 80.2 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115 | 179.1 | -173 | 39.8 | 0 | 0 | 0 | 109.7 | V1004 C1005 F1006 V1007 T1079 L1080 | V1004-N1101 HydrophobicContact CG1-CB 3.56Å; C1005-N1101 PolarHBondContact O-N 2.86Å; F1006-N1101 WeakPolarHBondContact CA-O 2.95Å; F1006-N1101 HydrophobicContact CD1-CB 4.31Å; F1006-N1101 WeakPolarHBondContact CE1-ND2 3.09Å; V1007-N1101 PolarHBondContact N-O 3.46Å; T1079-N1101 CarbonylContact O-C 3.57Å; T1079-N1101 WeakPolarHBondContact O-CA 2.57Å; L1080-N1101 HydrophobicContact CD1-CB 3.88Å |
| 1102 | V | 83.4 | Confident | 80.5 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.4 | -173.9 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | V1007 K1009 H1074 T1079 Y1081 V1100 | V1007-V1102 WeakPolarHBondContact O-CA 3.44Å; K1009-V1102 HydrophobicContact CB-CG1 4.11Å; H1074-V1102 HydrophobicContact CB-CG2 4.33Å; H1074-V1102 WeakPolarHBondContact CD2-CG1 3.07Å; T1079-V1102 PolarHBondContact O-N 3.13Å; Y1081-V1102 HydrophobicContact CE1-CG2 3.74Å; V1100-V1102 HydrophobicContact CG1-CG2 4.43Å |
| 1103 | S | 80.9 | Confident | 80.5 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 162.8 | -178.1 | 41.4 | 0 | 0 | 0 | 0 | 111.7 | V1007 F1106 N1135 | V1007-S1103 PolarHBondContact O-N 2.81Å; S1103-F1106 WeakPolarHBondContact OG-CE1 3.18Å; S1103-N1135 PolarHBondContact O-ND2 2.96Å; S1103-N1135 PolarHBondContact OG-ND2 2.93Å |
| 1104 | E | 78.3 | Confident | 80 | Confident | 140 Ų | 140 | 52.4 Ų | 52.4 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -57.8 | 150.9 | 169.2 | -68.2 | -63.8 | 159.5 | 0 | 0 | 111.7 | F1106 N1135 | E1104-F1106 PolarHBondContact O-N 2.8Å; E1104-N1135 PolarHBondContact O-ND2 3.05Å |
| 1105 | P | 76.5 | Confident | 79.5 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -56.7 | 110.4 | -177 | -23.5 | 31.5 | 0 | 0 | 0 | 113.6 | T1008 N1135 M1136 Y1204 | T1008-P1105 HydrophobicContact CG2-CB 3.9Å; T1008-P1105 HydrophobicContact CG2-CG 3.67Å; P1105-N1135 WeakPolarHBondContact CA-OD1 3.38Å; P1105-M1136 HydrophobicContact CB-CG 4.29Å; P1105-M1136 HydrophobicContact CB-SD 4.24Å; P1105-Y1204 WeakPolarHBondContact O-CE1 3.31Å; P1105-Y1204 PolarHBondContact O-OH 3.23Å |
| 1106 | F | 79.9 | Confident | 78.7 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 20% | 0.197 | 25% | 0.249 | C | C | . | . | trans | -128.3 | 146.8 | -174.7 | 80.6 | -90 | 0 | 0 | 0 | 112.6 | F1006 S1103 E1104 T1108 N1133 T1134 N1135 | F1006-F1106 HydrophobicContact CB-CE1 4.08Å; F1006-F1106 HydrophobicContact CB-CZ 4.08Å; F1006-F1106 AromaticContact CD1-CE1 3.71Å; F1006-F1106 HydrophobicContact CD1-CE1 3.71Å; F1006-F1106 AromaticContact CD1-CZ 3.52Å; F1006-F1106 HydrophobicContact CD1-CZ 3.52Å; F1006-F1106 HydrophobicContact CE1-CE1 4.43Å; F1006-F1106 AromaticContact CE1-CZ 3.98Å; F1006-F1106 HydrophobicContact CE1-CZ 3.98Å; F1006-F1106 HydrophobicContact CG-CE1 4.14Å; F1006-F1106 AromaticContact CG-CZ 3.81Å; F1006-F1106 HydrophobicContact CG-CZ 3.81Å; S1103-F1106 WeakPolarHBondContact OG-CE1 3.18Å; E1104-F1106 PolarHBondContact O-N 2.8Å; F1106-T1108 HydrophobicContact CD2-CG2 4.01Å; F1106-N1133 HydrophobicContact CE2-CB 4.03Å; F1106-N1133 WeakPolarHBondContact CE2-O 3.42Å; F1106-N1133 HydrophobicContact CZ-CB 4.46Å; F1106-T1134 WeakPolarHBondContact O-CA 3.47Å; F1106-T1134 VanDerWaalsContact O-CB 3.25Å; F1106-T1134 WeakPolarHBondContact O-CB 3.24Å; F1106-T1134 PolarHBondContact O-OG1 3.46Å; F1106-N1135 HydrophobicContact CD1-CB 4.24Å; F1106-N1135 WeakPolarHBondContact CD1-ND2 3.18Å; F1106-N1135 VanDerWaalsContact CD1-OD1 3.3Å; F1106-N1135 WeakPolarHBondContact CD1-OD1 3.38Å; F1106-N1135 HydrophobicContact CE1-CB 3.94Å; F1106-N1135 PolarHBondContact N-OD1 3.32Å; F1106-N1135 PolarHBondContact O-OD1 2.79Å | ||
| 1107 | F | 81.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118.5 | 171.1 | -177.1 | -109.3 | 0 | 0 | 0 | 108.4 | V1109 I1132 T1134 M1136 I1143 V1199 F1201 Y1204 V1206 | F1107-V1109 HydrophobicContact CD1-CG2 4.35Å; F1107-V1109 HydrophobicContact CE1-CG2 3.66Å; F1107-V1109 HydrophobicContact CE2-CG2 4.26Å; F1107-V1109 HydrophobicContact CZ-CG2 3.61Å; F1107-I1132 HydrophobicContact CE2-CG2 4.23Å; F1107-T1134 HydrophobicContact CD2-CG2 4.29Å; F1107-M1136 HydrophobicContact CB-CE 3.71Å; F1107-I1143 HydrophobicContact CE2-CD1 3.77Å; F1107-I1143 HydrophobicContact CE2-CG1 4.15Å; F1107-I1143 HydrophobicContact CZ-CD1 4Å; F1107-I1143 HydrophobicContact CZ-CG1 4.13Å; F1107-I1143 HydrophobicContact CZ-CG2 4.19Å; F1107-V1199 HydrophobicContact CE1-CG1 4.11Å; F1107-V1199 HydrophobicContact CZ-CG1 4.11Å; F1107-F1201 HydrophobicContact CD1-CB 4.33Å; F1107-F1201 HydrophobicContact CD2-CB 4.23Å; F1107-F1201 HydrophobicContact CD2-CD1 4.13Å; F1107-F1201 HydrophobicContact CD2-CG 4.42Å; F1107-F1201 HydrophobicContact CE1-CB 4.02Å; F1107-F1201 HydrophobicContact CE2-CB 3.92Å; F1107-F1201 HydrophobicContact CE2-CD1 4.44Å; F1107-F1201 HydrophobicContact CE2-CG 4.29Å; F1107-F1201 HydrophobicContact CG-CB 4.43Å; F1107-F1201 HydrophobicContact CZ-CB 3.81Å; F1107-Y1204 HydrophobicContact CB-CD1 4.1Å; F1107-Y1204 HydrophobicContact CB-CG 3.98Å; F1107-V1206 HydrophobicContact CD1-CG2 3.8Å; F1107-V1206 HydrophobicContact CE1-CG2 4.33Å; F1107-V1206 WeakPolarHBondContact O-CG2 3.08Å |
| 1108 | T | 77.5 | Confident | 76.7 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.8 | 178.5 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | F1106 I1132 N1133 | F1106-T1108 HydrophobicContact CD2-CG2 4.01Å; T1108-I1132 WeakPolarHBondContact O-CA 3.3Å; T1108-N1133 PolarHBondContact N-O 3.27Å; T1108-N1133 PolarHBondContact O-N 2.76Å; T1108-N1133 PolarHBondContact OG1-O 3.11Å |
| 1109 | V | 78.5 | Confident | 75.6 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.8 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | F1107 F1130 A1131 I1132 V1199 V1208 | F1107-V1109 HydrophobicContact CD1-CG2 4.35Å; F1107-V1109 HydrophobicContact CE1-CG2 3.66Å; F1107-V1109 HydrophobicContact CE2-CG2 4.26Å; F1107-V1109 HydrophobicContact CZ-CG2 3.61Å; V1109-F1130 HydrophobicContact CG1-CD1 4.35Å; V1109-A1131 WeakPolarHBondContact CA-O 3.32Å; V1109-I1132 HydrophobicContact CB-CG1 4.5Å; V1109-I1132 HydrophobicContact CG1-CG1 4Å; V1109-I1132 HydrophobicContact CG2-CD1 4.42Å; V1109-I1132 HydrophobicContact CG2-CG1 4Å; V1109-I1132 HydrophobicContact CG2-CG2 4.28Å; V1109-V1199 HydrophobicContact CG1-CG2 4.26Å; V1109-V1199 HydrophobicContact CG2-CB 4.36Å; V1109-V1199 HydrophobicContact CG2-CG1 4.06Å; V1109-V1208 HydrophobicContact CB-CG2 3.89Å; V1109-V1208 HydrophobicContact CG1-CG2 3.89Å; V1109-V1208 WeakPolarHBondContact O-CG2 2.84Å |
| 1110 | Y | 77.6 | Confident | 74.6 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 45% | 0.451 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.3 | 177.1 | 49.4 | -80.8 | 0 | 0 | 0 | 110.8 | A1112 F1130 A1131 N1133 | Y1110-A1112 PolarHBondContact O-N 3.31Å; Y1110-F1130 WeakPolarHBondContact O-CA 3.17Å; Y1110-A1131 HydrophobicContact CD1-CB 4.44Å; Y1110-A1131 HydrophobicContact CD2-CB 3.83Å; Y1110-A1131 HydrophobicContact CE1-CB 4.04Å; Y1110-A1131 HydrophobicContact CE2-CB 3.39Å; Y1110-A1131 HydrophobicContact CG-CB 4.34Å; Y1110-A1131 VanDerWaalsContact CZ-CB 3.49Å; Y1110-A1131 PolarHBondContact N-O 3.07Å; Y1110-A1131 PolarHBondContact O-N 2.97Å; Y1110-N1133 PolarHBondContact OH-ND2 3Å |
| 1111 | A | 71.7 | Confident | 73.8 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q1129 V1208 S1209 | A1111-Q1129 WeakPolarHBondContact CA-O 3.04Å; A1111-V1208 HydrophobicContact CB-CG1 4.39Å; A1111-S1209 WeakPolarHBondContact CB-O 3.43Å |
| 1112 | A | 69.9 | Low | 73.4 | Confident | 53 Ų | 53 | 62 Ų | 62 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | trans | -96.2 | -80.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y1110 Q1129 A1131 | Y1110-A1112 PolarHBondContact O-N 3.31Å; A1112-Q1129 PolarHBondContact N-O 3.18Å; A1112-A1131 HydrophobicContact CB-CB 4.28Å | ||
| 1113 | D | 70.4 | Confident | 73.3 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -91.3 | 136.2 | 176.7 | -88.7 | -45.9 | 0 | 0 | 0 | 113.7 | ||
| 1114 | P | 68.7 | Low | 73.4 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 143.2 | 177.4 | 32.9 | -34.3 | 0 | 0 | 0 | 112.3 | H1211 K1213 | P1114-H1211 CarbonylContact C-O 3.5Å; P1114-H1211 WeakPolarHBondContact CA-O 3.36Å; P1114-H1211 HydrophobicContact CB-CB 3.86Å; P1114-H1211 WeakPolarHBondContact CB-O 3.36Å; P1114-K1213 HydrophobicContact CB-CD 4.29Å; P1114-K1213 HydrophobicContact CB-CG 4.03Å; P1114-K1213 HydrophobicContact CG-CD 3.57Å; P1114-K1213 HydrophobicContact CG-CG 3.89Å |
| 1115 | I | 71.7 | Confident | 73.7 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.2 | -178.8 | -39.7 | -171.1 | 0 | 0 | 0 | 111.3 | M1117 M1123 I1125 Q1129 L1210 H1211 K1213 | I1115-M1117 PolarHBondContact O-N 3.47Å; I1115-M1123 HydrophobicContact CB-CE 4.12Å; I1115-M1123 HydrophobicContact CG2-CB 4.35Å; I1115-M1123 HydrophobicContact CG2-CE 3.47Å; I1115-M1123 VanDerWaalsContact CG2-CE 3.47Å; I1115-I1125 HydrophobicContact CD1-CG1 4.41Å; I1115-Q1129 HydrophobicContact CG1-CG 4.33Å; I1115-L1210 HydrophobicContact CD1-CD2 3.79Å; I1115-L1210 HydrophobicContact CD1-CG 4.15Å; I1115-L1210 HydrophobicContact CG1-CG 4.41Å; I1115-H1211 PolarHBondContact N-O 2.76Å; I1115-K1213 PolarHBondContact O-N 3.36Å; I1115-K1213 VanDerWaalsContact O-N 3.14Å |
| 1116 | E | 68.3 | Low | 74 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 112 | 166.9 | -78.9 | -150.9 | 134.6 | 0 | 0 | 110.3 | K1118 K1215 | E1116-K1118 PolarHBondContact O-N 2.68Å; E1116-K1215 IonicContact OE1-NZ 2.73Å; E1116-K1215 PolarHBondContact OE1-NZ 2.86Å |
| 1117 | M | 63.1 | Low | 73.7 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | trans | -70.1 | 122.4 | 179.6 | -83.5 | 175.6 | 67.6 | 0 | 0 | 113.2 | I1115 C1119 M1123 T1212 | I1115-M1117 PolarHBondContact O-N 3.47Å; M1117-C1119 WeakPolarHBondContact CE-SG 3.33Å; M1117-M1123 HydrophobicContact CB-CE 4.44Å; M1117-M1123 HydrophobicContact CG-CE 4.02Å; M1117-T1212 HydrophobicContact CG-CG2 3.94Å; M1117-T1212 VanDerWaalsContact SD-CB 3.5Å; M1117-T1212 HydrophobicContact SD-CG2 3.9Å | ||
| 1118 | K | 65.2 | Low | 73.4 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 45% | 0.452 | 35% | 0.352 | S | S | . | . | trans | -129.8 | 84 | 169 | -66.6 | 176.6 | -171.6 | 163 | 0 | 109.5 | E1116 S1120 Q1121 M1123 | E1116-K1118 PolarHBondContact O-N 2.68Å; K1118-S1120 PolarHBondContact O-N 2.75Å; K1118-Q1121 PolarHBondContact O-N 3.26Å; K1118-M1123 PolarHBondContact N-SD 2.86Å; K1118-M1123 VanDerWaalsContact N-SD 3.4Å | ||
| 1119 | C | 65.4 | Low | 73.5 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 27.4 | -173.5 | -60.2 | 0 | 0 | 0 | 0 | 116.3 | M1117 C1185 | M1117-C1119 WeakPolarHBondContact CE-SG 3.33Å; C1119-C1185 HydrophobicContact CB-CB 3.67Å; C1119-C1185 WeakPolarHBondContact CB-SG 3.24Å; C1119-C1185 WeakPolarHBondContact SG-CB 3.42Å; C1119-C1185 CovalentContact SG-SG 2.04Å; C1119-C1185 PolarHBondContact SG-SG 2.72Å |
| 1120 | S | 64.9 | Low | 73.5 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 78% | 0.776 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -1 | 171.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | K1118 | K1118-S1120 PolarHBondContact O-N 2.75Š|
| 1121 | Q | 69.2 | Low | 73.4 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -134.5 | 157.3 | -174.1 | -65 | -178.7 | -39.3 | 0 | 0 | 110.7 | K1118 | K1118-Q1121 PolarHBondContact O-N 3.26Š|
| 1122 | L | 79 | Confident | 73.6 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | trans | -71.9 | 124.1 | 163.6 | -72.2 | 171.6 | 0 | 0 | 0 | 108.2 | M1157 P1165 Y1182 K1184 | L1122-M1157 HydrophobicContact CD2-CG 4.06Å; L1122-P1165 HydrophobicContact CD1-CG 3.68Å; L1122-Y1182 HydrophobicContact CB-CD1 4.13Å; L1122-Y1182 HydrophobicContact CB-CG 4.23Å; L1122-K1184 HydrophobicContact CD2-CB 4.01Å; L1122-K1184 HydrophobicContact CD2-CD 4.41Å; L1122-K1184 HydrophobicContact CD2-CG 4.25Å | ||
| 1123 | M | 81.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 111.1 | -177.2 | -67.5 | 158 | 47.3 | 0 | 0 | 108.4 | I1115 M1117 K1118 I1125 Y1182 Y1183 | I1115-M1123 HydrophobicContact CB-CE 4.12Å; I1115-M1123 HydrophobicContact CG2-CB 4.35Å; I1115-M1123 HydrophobicContact CG2-CE 3.47Å; I1115-M1123 VanDerWaalsContact CG2-CE 3.47Å; M1117-M1123 HydrophobicContact CB-CE 4.44Å; M1117-M1123 HydrophobicContact CG-CE 4.02Å; K1118-M1123 PolarHBondContact N-SD 2.86Å; K1118-M1123 VanDerWaalsContact N-SD 3.4Å; M1123-I1125 PolarHBondContact O-N 3.38Å; M1123-Y1182 CarbonylContact O-C 3.57Å; M1123-Y1182 WeakPolarHBondContact O-CA 3.21Å; M1123-Y1183 HydrophobicContact CE-CD1 3.9Å; M1123-Y1183 PolarHBondContact N-O 2.85Å; M1123-Y1183 PolarHBondContact O-N 3.21Å; M1123-Y1183 HydrophobicContact SD-CD1 4.21Å |
| 1124 | P | 83.6 | Confident | 74.3 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.6 | -177.3 | 25.3 | -33.8 | 0 | 0 | 0 | 111.3 | R1126 Q1129 Y1182 | P1124-R1126 HydrophobicContact CB-CG 4.41Å; P1124-Q1129 PolarHBondContact O-NE2 2.81Å; P1124-Y1182 HydrophobicContact CB-CD1 4.01Å; P1124-Y1182 HydrophobicContact CB-CE1 4.06Å |
| 1125 | I | 84.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -84.8 | 132.8 | 166.4 | -50.2 | -170.4 | 0 | 0 | 0 | 106.6 | I1115 M1123 Q1129 F1130 V1156 L1176 V1181 L1210 | I1115-I1125 HydrophobicContact CD1-CG1 4.41Å; M1123-I1125 PolarHBondContact O-N 3.38Å; I1125-Q1129 VanDerWaalsContact CA-OE1 3.28Å; I1125-Q1129 VanDerWaalsContact CG2-OE1 3.3Å; I1125-F1130 HydrophobicContact CG2-CE2 3.76Å; I1125-F1130 HydrophobicContact CG2-CZ 4.25Å; I1125-V1156 HydrophobicContact CD1-CG1 4.27Å; I1125-V1156 HydrophobicContact CD1-CG2 4.23Å; I1125-L1176 HydrophobicContact CB-CD2 3.92Å; I1125-L1176 HydrophobicContact CG2-CD2 3.54Å; I1125-V1181 HydrophobicContact CB-CB 4.28Å; I1125-V1181 HydrophobicContact CB-CG1 3.96Å; I1125-V1181 HydrophobicContact CD1-CG1 3.85Å; I1125-V1181 HydrophobicContact CG1-CG1 4.07Å; I1125-V1181 PolarHBondContact N-O 2.64Å; I1125-L1210 HydrophobicContact CD1-CD2 4.32Å; I1125-L1210 HydrophobicContact CG2-CD2 4.31Å | ||
| 1126 | R | 80.9 | Confident | 75.3 | Confident | 123 Ų | 123 | 55.8 Ų | 55.8 | 46% | 0.464 | 29% | 0.288 | S | S | . | . | trans | -132.8 | 156 | -170.4 | -70.9 | -173.5 | 167.4 | -160.5 | -7.8 | 111.8 | P1124 E1128 Q1129 | P1124-R1126 HydrophobicContact CB-CG 4.41Å; R1126-E1128 HydrophobicContact CB-CB 4.3Å; R1126-E1128 WeakPolarHBondContact CD-OE2 3.07Å; R1126-E1128 IonicContact CZ-OE2 2.64Å; R1126-E1128 IonicContact NE-OE2 2.85Å; R1126-E1128 IonicContact NH1-OE1 3.41Å; R1126-E1128 PolarHBondContact NH1-OE1 2.74Å; R1126-E1128 VanDerWaalsContact NH1-OE1 3.14Å; R1126-E1128 IonicContact NH1-OE2 3.01Å; R1126-E1128 PolarHBondContact NH1-OE2 2.83Å; R1126-E1128 PolarHBondContact O-N 3.46Å; R1126-E1128 VanDerWaalsContact O-N 3.15Å; R1126-Q1129 VanDerWaalsContact N-OE1 3.09Å; R1126-Q1129 WeakPolarHBondContact O-CB 3.19Å; R1126-Q1129 PolarHBondContact O-N 2.92Å | ||
| 1127 | L | 74.9 | Confident | 75.8 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -46.6 | -42.9 | 170.1 | -126.2 | 80.1 | 0 | 0 | 0 | 112.4 | Q1129 F1130 M1173 L1176 V1177 | L1127-Q1129 PolarHBondContact O-N 2.8Å; L1127-F1130 PolarHBondContact O-N 2.86Å; L1127-M1173 HydrophobicContact CD1-CE 3.56Å; L1127-M1173 HydrophobicContact CG-CE 3.81Å; L1127-L1176 HydrophobicContact CD1-CB 4.21Å; L1127-V1177 HydrophobicContact CD1-CB 4.44Å; L1127-V1177 HydrophobicContact CD1-CG2 3.44Å; L1127-V1177 VanDerWaalsContact CD1-CG2 3.44Å |
| 1128 | E | 74.6 | Confident | 76.5 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -49.5 | -26.1 | 178.4 | -61.4 | 163.1 | 168.2 | 0 | 0 | 114 | R1126 | R1126-E1128 HydrophobicContact CB-CB 4.3Å; R1126-E1128 WeakPolarHBondContact CD-OE2 3.07Å; R1126-E1128 IonicContact CZ-OE2 2.64Å; R1126-E1128 IonicContact NE-OE2 2.85Å; R1126-E1128 IonicContact NH1-OE1 3.41Å; R1126-E1128 PolarHBondContact NH1-OE1 2.74Å; R1126-E1128 VanDerWaalsContact NH1-OE1 3.14Å; R1126-E1128 IonicContact NH1-OE2 3.01Å; R1126-E1128 PolarHBondContact NH1-OE2 2.83Å; R1126-E1128 PolarHBondContact O-N 3.46Å; R1126-E1128 VanDerWaalsContact O-N 3.15Å |
| 1129 | Q | 79.4 | Confident | 77.1 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -88.2 | -6.5 | -176.1 | -60.6 | 157.2 | 5.7 | 0 | 0 | 112.8 | A1111 A1112 I1115 P1124 I1125 R1126 L1127 L1210 | A1111-Q1129 WeakPolarHBondContact CA-O 3.04Å; A1112-Q1129 PolarHBondContact N-O 3.18Å; I1115-Q1129 HydrophobicContact CG1-CG 4.33Å; P1124-Q1129 PolarHBondContact O-NE2 2.81Å; I1125-Q1129 VanDerWaalsContact CA-OE1 3.28Å; I1125-Q1129 VanDerWaalsContact CG2-OE1 3.3Å; R1126-Q1129 VanDerWaalsContact N-OE1 3.09Å; R1126-Q1129 WeakPolarHBondContact O-CB 3.19Å; R1126-Q1129 PolarHBondContact O-N 2.92Å; L1127-Q1129 PolarHBondContact O-N 2.8Å; Q1129-L1210 HydrophobicContact CB-CD1 3.97Å |
| 1130 | F | 80.3 | Confident | 77.8 | Confident | 15 Ų | 15 | 58 Ų | 58 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.9 | 179.3 | -58 | -80 | 0 | 0 | 0 | 111.2 | V1109 Y1110 I1125 L1127 F1145 L1176 L1197 V1208 L1210 | V1109-F1130 HydrophobicContact CG1-CD1 4.35Å; Y1110-F1130 WeakPolarHBondContact O-CA 3.17Å; I1125-F1130 HydrophobicContact CG2-CE2 3.76Å; I1125-F1130 HydrophobicContact CG2-CZ 4.25Å; L1127-F1130 PolarHBondContact O-N 2.86Å; F1130-F1145 HydrophobicContact CD1-CE1 4.04Å; F1130-F1145 HydrophobicContact CD2-CE1 4.45Å; F1130-F1145 HydrophobicContact CE1-CD1 4.35Å; F1130-F1145 AromaticContact CE1-CE1 3.78Å; F1130-F1145 HydrophobicContact CE1-CE1 3.78Å; F1130-F1145 HydrophobicContact CE2-CE1 4.2Å; F1130-F1145 HydrophobicContact CG-CE1 4.36Å; F1130-F1145 HydrophobicContact CZ-CD1 4.26Å; F1130-F1145 AromaticContact CZ-CE1 3.86Å; F1130-F1145 HydrophobicContact CZ-CE1 3.86Å; F1130-L1176 HydrophobicContact CD2-CD1 3.95Å; F1130-L1176 HydrophobicContact CE2-CD1 3.76Å; F1130-L1176 HydrophobicContact CE2-CD2 4.36Å; F1130-L1197 HydrophobicContact CE1-CD1 3.71Å; F1130-L1197 HydrophobicContact CZ-CD1 3.61Å; F1130-V1208 HydrophobicContact CD1-CG1 4.3Å; F1130-V1208 HydrophobicContact CE1-CG1 4.22Å; F1130-L1210 HydrophobicContact CE1-CD1 3.97Å; F1130-L1210 HydrophobicContact CE2-CD1 4.46Å; F1130-L1210 HydrophobicContact CZ-CD1 3.86Å; F1130-L1210 HydrophobicContact CZ-CD2 4.31Å |
| 1131 | A | 75.2 | Confident | 78.6 | Confident | 23 Ų | 23 | 55 Ų | 55 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V1109 Y1110 A1112 | V1109-A1131 WeakPolarHBondContact CA-O 3.32Å; Y1110-A1131 HydrophobicContact CD1-CB 4.44Å; Y1110-A1131 HydrophobicContact CD2-CB 3.83Å; Y1110-A1131 HydrophobicContact CE1-CB 4.04Å; Y1110-A1131 HydrophobicContact CE2-CB 3.39Å; Y1110-A1131 HydrophobicContact CG-CB 4.34Å; Y1110-A1131 VanDerWaalsContact CZ-CB 3.49Å; Y1110-A1131 PolarHBondContact N-O 3.07Å; Y1110-A1131 PolarHBondContact O-N 2.97Å; A1112-A1131 HydrophobicContact CB-CB 4.28Å |
| 1132 | I | 76 | Confident | 79.2 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.5 | -177.6 | -58.3 | -174.7 | 0 | 0 | 0 | 107.9 | F1107 T1108 V1109 T1134 I1143 M1173 | F1107-I1132 HydrophobicContact CE2-CG2 4.23Å; T1108-I1132 WeakPolarHBondContact O-CA 3.3Å; V1109-I1132 HydrophobicContact CB-CG1 4.5Å; V1109-I1132 HydrophobicContact CG1-CG1 4Å; V1109-I1132 HydrophobicContact CG2-CD1 4.42Å; V1109-I1132 HydrophobicContact CG2-CG1 4Å; V1109-I1132 HydrophobicContact CG2-CG2 4.28Å; I1132-T1134 HydrophobicContact CG2-CG2 4.39Å; I1132-I1143 HydrophobicContact CD1-CD1 4.08Å; I1132-M1173 HydrophobicContact CD1-CE 3.47Å; I1132-M1173 VanDerWaalsContact CD1-CE 3.47Å; I1132-M1173 HydrophobicContact CD1-SD 3.62Å; I1132-M1173 HydrophobicContact CG1-CE 4.39Å |
| 1133 | N | 76.3 | Confident | 79.4 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127 | 169.6 | -57.1 | -25.9 | 0 | 0 | 0 | 108.1 | F1106 T1108 Y1110 | F1106-N1133 HydrophobicContact CE2-CB 4.03Å; F1106-N1133 WeakPolarHBondContact CE2-O 3.42Å; F1106-N1133 HydrophobicContact CZ-CB 4.46Å; T1108-N1133 PolarHBondContact N-O 3.27Å; T1108-N1133 PolarHBondContact O-N 2.76Å; T1108-N1133 PolarHBondContact OG1-O 3.11Å; Y1110-N1133 PolarHBondContact OH-ND2 3Å |
| 1134 | T | 78.8 | Confident | 79.8 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 142.4 | 173.9 | 179 | 0 | 0 | 0 | 0 | 110.6 | K1013 F1106 F1107 I1132 M1136 F1138 | K1013-T1134 PolarHBondContact NZ-O 3.35Å; K1013-T1134 VanDerWaalsContact NZ-O 3.08Å; F1106-T1134 WeakPolarHBondContact O-CA 3.47Å; F1106-T1134 VanDerWaalsContact O-CB 3.25Å; F1106-T1134 WeakPolarHBondContact O-CB 3.24Å; F1106-T1134 PolarHBondContact O-OG1 3.46Å; F1107-T1134 HydrophobicContact CD2-CG2 4.29Å; I1132-T1134 HydrophobicContact CG2-CG2 4.39Å; T1134-M1136 PolarHBondContact OG1-N 2.88Å; T1134-M1136 VanDerWaalsContact OG1-N 3.1Å; T1134-F1138 HydrophobicContact CG2-CD1 3.82Å; T1134-F1138 HydrophobicContact CG2-CE1 3.4Å; T1134-F1138 VanDerWaalsContact CG2-CE1 3.4Å; T1134-F1138 HydrophobicContact CG2-CZ 4.4Å |
| 1135 | N | 79.7 | Confident | 80 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.2 | -16.7 | 169.3 | 48.9 | 2.6 | 0 | 0 | 0 | 113.4 | F1006 T1008 K1013 S1103 E1104 P1105 F1106 | F1006-N1135 HydrophobicContact CB-CB 3.99Å; F1006-N1135 WeakPolarHBondContact O-CA 3.4Å; T1008-N1135 HydrophobicContact CG2-CB 3.92Å; T1008-N1135 VanDerWaalsContact CG2-ND2 3.26Å; T1008-N1135 WeakPolarHBondContact CG2-ND2 3.42Å; K1013-N1135 WeakPolarHBondContact CD-O 3.21Å; K1013-N1135 VanDerWaalsContact NZ-C 3.27Å; K1013-N1135 PolarHBondContact NZ-O 3.2Å; S1103-N1135 PolarHBondContact O-ND2 2.96Å; S1103-N1135 PolarHBondContact OG-ND2 2.93Å; E1104-N1135 PolarHBondContact O-ND2 3.05Å; P1105-N1135 WeakPolarHBondContact CA-OD1 3.38Å; F1106-N1135 HydrophobicContact CD1-CB 4.24Å; F1106-N1135 WeakPolarHBondContact CD1-ND2 3.18Å; F1106-N1135 VanDerWaalsContact CD1-OD1 3.3Å; F1106-N1135 WeakPolarHBondContact CD1-OD1 3.38Å; F1106-N1135 HydrophobicContact CE1-CB 3.94Å; F1106-N1135 PolarHBondContact N-OD1 3.32Å; F1106-N1135 PolarHBondContact O-OD1 2.79Å |
| 1136 | M | 80.4 | Confident | 80.2 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72.9 | 167.1 | 179 | -61.8 | -178 | -70.6 | 0 | 0 | 113 | K1013 P1105 F1107 T1134 F1201 Y1204 | K1013-M1136 PolarHBondContact NZ-O 3.33Å; P1105-M1136 HydrophobicContact CB-CG 4.29Å; P1105-M1136 HydrophobicContact CB-SD 4.24Å; F1107-M1136 HydrophobicContact CB-CE 3.71Å; T1134-M1136 PolarHBondContact OG1-N 2.88Å; T1134-M1136 VanDerWaalsContact OG1-N 3.1Å; M1136-F1201 HydrophobicContact CB-CE1 4.18Å; M1136-F1201 HydrophobicContact CE-CD1 3.81Å; M1136-F1201 HydrophobicContact CE-CE1 3.72Å; M1136-F1201 HydrophobicContact SD-CE1 4.04Å; M1136-Y1204 HydrophobicContact CE-CD1 4.47Å; M1136-Y1204 HydrophobicContact CE-CD2 3.67Å; M1136-Y1204 HydrophobicContact CE-CE1 4.4Å; M1136-Y1204 HydrophobicContact CE-CE2 3.61Å; M1136-Y1204 HydrophobicContact CE-CG 4.14Å; M1136-Y1204 HydrophobicContact SD-CD2 4.19Å; M1136-Y1204 HydrophobicContact SD-CE2 3.59Å; M1136-Y1204 VanDerWaalsContact SD-CE2 3.59Å |
| 1137 | N | 79.3 | Confident | 80.2 | Confident | 76 Ų | 76 | 43.8 Ų | 43.8 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | trans | -99.3 | 138.2 | 171.9 | -59.2 | -37.9 | 0 | 0 | 0 | 109.9 | E1012 L1014 F1201 | E1012-N1137 PolarHBondContact O-ND2 2.85Å; L1014-N1137 WeakPolarHBondContact CB-OD1 3.14Å; L1014-N1137 PolarHBondContact N-OD1 3.1Å; N1137-F1201 WeakPolarHBondContact O-CZ 2.99Å | ||
| 1138 | F | 77.8 | Confident | 79.8 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | trans | -153.7 | 155.5 | -178.7 | 64 | -85.4 | 0 | 0 | 0 | 110.8 | T1134 Y1140 I1143 F1201 | T1134-F1138 HydrophobicContact CG2-CD1 3.82Å; T1134-F1138 HydrophobicContact CG2-CE1 3.4Å; T1134-F1138 VanDerWaalsContact CG2-CE1 3.4Å; T1134-F1138 HydrophobicContact CG2-CZ 4.4Å; F1138-Y1140 HydrophobicContact CE2-CD1 4.02Å; F1138-Y1140 HydrophobicContact CE2-CE1 4.09Å; F1138-I1143 HydrophobicContact CD2-CD1 3.45Å; F1138-I1143 VanDerWaalsContact CD2-CD1 3.45Å; F1138-I1143 HydrophobicContact CD2-CG1 3.96Å; F1138-I1143 HydrophobicContact CE2-CD1 3.4Å; F1138-I1143 HydrophobicContact CE2-CG1 4.38Å; F1138-I1143 HydrophobicContact CG-CD1 4.14Å; F1138-I1143 HydrophobicContact CZ-CD1 4.05Å; F1138-F1201 HydrophobicContact CB-CD2 4.04Å; F1138-F1201 HydrophobicContact CB-CE2 3.36Å; F1138-F1201 HydrophobicContact CB-CZ 3.65Å | ||
| 1139 | E | 77.8 | Confident | 79.2 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | trans | -99.9 | 158.8 | 162.8 | -56 | -136.9 | 108.7 | 0 | 0 | 110.3 | K1068 S1141 D1142 | K1068-E1139 IonicContact NZ-OE1 2.88Å; K1068-E1139 PolarHBondContact NZ-OE1 2.74Å; E1139-S1141 WeakPolarHBondContact CB-OG 3.31Å; E1139-S1141 PolarHBondContact O-N 3.27Å; E1139-D1142 PolarHBondContact N-OD2 3.07Å; E1139-D1142 WeakPolarHBondContact O-CB 3.47Å; E1139-D1142 PolarHBondContact O-N 2.56Å | ||
| 1140 | Y | 79.8 | Confident | 78.2 | Confident | 116 Ų | 116 | 47.9 Ų | 47.9 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.8 | -176.4 | -65.7 | -46.6 | 0 | 0 | 0 | 113.6 | F1138 D1142 M1173 E1174 V1177 | F1138-Y1140 HydrophobicContact CE2-CD1 4.02Å; F1138-Y1140 HydrophobicContact CE2-CE1 4.09Å; Y1140-D1142 VanDerWaalsContact C-N 3.29Å; Y1140-M1173 HydrophobicContact CD1-CB 4.23Å; Y1140-M1173 HydrophobicContact CD1-CG 3.81Å; Y1140-M1173 HydrophobicContact CE1-CG 4.46Å; Y1140-M1173 HydrophobicContact CG-CG 4.44Å; Y1140-M1173 CarbonylContact O-C 3.55Å; Y1140-M1173 VanDerWaalsContact O-CB 3.3Å; Y1140-M1173 WeakPolarHBondContact O-CB 3.38Å; Y1140-M1173 PolarHBondContact O-N 3.34Å; Y1140-E1174 PolarHBondContact O-N 3.08Å; Y1140-V1177 HydrophobicContact CD1-CG2 4.45Å; Y1140-V1177 HydrophobicContact CD2-CG2 3.83Å; Y1140-V1177 HydrophobicContact CE2-CG2 4Å; Y1140-V1177 HydrophobicContact CG-CG2 4.07Å |
| 1141 | S | 81.2 | Confident | 77 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31 | 167.1 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | E1139 | E1139-S1141 WeakPolarHBondContact CB-OG 3.31Å; E1139-S1141 PolarHBondContact O-N 3.27Å |
| 1142 | D | 82.7 | Confident | 76.2 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -18.5 | -164.7 | -50 | -18.5 | 0 | 0 | 0 | 112.7 | E1139 Y1140 F1201 | E1139-D1142 PolarHBondContact N-OD2 3.07Å; E1139-D1142 WeakPolarHBondContact O-CB 3.47Å; E1139-D1142 PolarHBondContact O-N 2.56Å; Y1140-D1142 VanDerWaalsContact C-N 3.29Å; D1142-F1201 HydrophobicContact CB-CD2 3.79Å; D1142-F1201 HydrophobicContact CB-CE2 3.72Å |
| 1143 | I | 84.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -92.2 | 112.9 | 177.8 | -63.5 | -179.4 | 0 | 0 | 0 | 108.9 | F1107 I1132 F1138 F1145 T1172 M1173 V1199 S1200 F1201 | F1107-I1143 HydrophobicContact CE2-CD1 3.77Å; F1107-I1143 HydrophobicContact CE2-CG1 4.15Å; F1107-I1143 HydrophobicContact CZ-CD1 4Å; F1107-I1143 HydrophobicContact CZ-CG1 4.13Å; F1107-I1143 HydrophobicContact CZ-CG2 4.19Å; I1132-I1143 HydrophobicContact CD1-CD1 4.08Å; F1138-I1143 HydrophobicContact CD2-CD1 3.45Å; F1138-I1143 VanDerWaalsContact CD2-CD1 3.45Å; F1138-I1143 HydrophobicContact CD2-CG1 3.96Å; F1138-I1143 HydrophobicContact CE2-CD1 3.4Å; F1138-I1143 HydrophobicContact CE2-CG1 4.38Å; F1138-I1143 HydrophobicContact CG-CD1 4.14Å; F1138-I1143 HydrophobicContact CZ-CD1 4.05Å; I1143-F1145 HydrophobicContact CG2-CD2 4.37Å; I1143-F1145 HydrophobicContact CG2-CE2 3.74Å; I1143-F1145 HydrophobicContact CG2-CZ 4.22Å; I1143-T1172 CarbonylContact O-C 3.11Å; I1143-T1172 VanDerWaalsContact O-CA 3.3Å; I1143-T1172 WeakPolarHBondContact O-CA 3.44Å; I1143-M1173 HydrophobicContact CB-CB 4.03Å; I1143-M1173 HydrophobicContact CG2-CB 4.3Å; I1143-M1173 PolarHBondContact O-N 3.3Å; I1143-V1199 HydrophobicContact CG2-CG1 3.56Å; I1143-S1200 WeakPolarHBondContact CA-O 3.35Å; I1143-F1201 HydrophobicContact CG1-CB 4.3Å; I1143-F1201 HydrophobicContact CG1-CD2 4.22Å; I1143-F1201 HydrophobicContact CG1-CG 4.48Å | ||
| 1144 | T | 88.8 | Confident | 75.2 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.202 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.8 | 179.6 | 41.2 | 0 | 0 | 0 | 0 | 113 | T1172 V1199 S1200 | T1144-T1172 HydrophobicContact CG2-CG2 4.26Å; T1144-V1199 WeakPolarHBondContact O-CA 3.38Å; T1144-S1200 PolarHBondContact N-O 2.77Å; T1144-S1200 PolarHBondContact O-N 2.62Å; T1144-S1200 PolarHBondContact O-OG 2.8Å; T1144-S1200 PolarHBondContact OG1-OG 2.92Å |
| 1145 | F | 88.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.7 | 174.8 | -64.4 | -102.6 | 0 | 0 | 0 | 109.7 | F1130 I1143 Q1170 F1171 M1173 L1176 L1197 L1198 V1199 | F1130-F1145 HydrophobicContact CD1-CE1 4.04Å; F1130-F1145 HydrophobicContact CD2-CE1 4.45Å; F1130-F1145 HydrophobicContact CE1-CD1 4.35Å; F1130-F1145 AromaticContact CE1-CE1 3.78Å; F1130-F1145 HydrophobicContact CE1-CE1 3.78Å; F1130-F1145 HydrophobicContact CE2-CE1 4.2Å; F1130-F1145 HydrophobicContact CG-CE1 4.36Å; F1130-F1145 HydrophobicContact CZ-CD1 4.26Å; F1130-F1145 AromaticContact CZ-CE1 3.86Å; F1130-F1145 HydrophobicContact CZ-CE1 3.86Å; I1143-F1145 HydrophobicContact CG2-CD2 4.37Å; I1143-F1145 HydrophobicContact CG2-CE2 3.74Å; I1143-F1145 HydrophobicContact CG2-CZ 4.22Å; F1145-Q1170 CarbonylContact O-C 3.49Å; F1145-Q1170 VanDerWaalsContact O-CA 3.22Å; F1145-Q1170 WeakPolarHBondContact O-CA 3.18Å; F1145-F1171 HydrophobicContact CB-CD1 4.04Å; F1145-F1171 HydrophobicContact CB-CD2 3.77Å; F1145-F1171 HydrophobicContact CB-CE1 3.72Å; F1145-F1171 HydrophobicContact CB-CE2 3.43Å; F1145-F1171 VanDerWaalsContact CB-CE2 3.43Å; F1145-F1171 HydrophobicContact CB-CG 4.06Å; F1145-F1171 HydrophobicContact CB-CZ 3.41Å; F1145-F1171 VanDerWaalsContact CB-CZ 3.41Å; F1145-F1171 AromaticContact CD1-CE2 4Å; F1145-F1171 HydrophobicContact CD1-CE2 4Å; F1145-F1171 HydrophobicContact CD1-CZ 4.11Å; F1145-F1171 AromaticContact CD2-CD2 3.96Å; F1145-F1171 HydrophobicContact CD2-CD2 3.96Å; F1145-F1171 AromaticContact CD2-CE2 3.75Å; F1145-F1171 HydrophobicContact CD2-CE2 3.75Å; F1145-F1171 HydrophobicContact CG-CD2 4Å; F1145-F1171 AromaticContact CG-CE2 3.46Å; F1145-F1171 HydrophobicContact CG-CE2 3.46Å; F1145-F1171 VanDerWaalsContact CG-CE2 3.46Å; F1145-F1171 AromaticContact CG-CZ 3.79Å; F1145-F1171 HydrophobicContact CG-CZ 3.79Å; F1145-F1171 PolarHBondContact N-O 2.9Å; F1145-F1171 PolarHBondContact O-N 2.59Å; F1145-M1173 HydrophobicContact CE2-CB 4.17Å; F1145-M1173 HydrophobicContact CE2-SD 3.52Å; F1145-M1173 VanDerWaalsContact CE2-SD 3.52Å; F1145-M1173 HydrophobicContact CZ-SD 3.49Å; F1145-M1173 WeakPolarHBondContact CZ-SD 3.48Å; F1145-L1176 HydrophobicContact CD2-CD1 4.25Å; F1145-L1176 HydrophobicContact CE1-CD1 4.26Å; F1145-L1176 HydrophobicContact CE2-CD1 3.67Å; F1145-L1176 HydrophobicContact CZ-CD1 3.68Å; F1145-L1197 HydrophobicContact CD1-CD1 4.37Å; F1145-L1198 CarbonylContact C-O 3.56Å; F1145-L1198 WeakPolarHBondContact CA-O 3.39Å; F1145-V1199 HydrophobicContact CD1-CB 4.42Å; F1145-V1199 HydrophobicContact CD1-CG1 4.16Å; F1145-V1199 HydrophobicContact CD1-CG2 3.57Å; F1145-V1199 HydrophobicContact CE1-CB 4.4Å; F1145-V1199 HydrophobicContact CE1-CG1 3.9Å; F1145-V1199 HydrophobicContact CE1-CG2 3.57Å; F1145-V1199 HydrophobicContact CE2-CG1 4.32Å; F1145-V1199 HydrophobicContact CG-CG1 4.48Å; F1145-V1199 HydrophobicContact CG-CG2 4.44Å; F1145-V1199 HydrophobicContact CZ-CG1 3.97Å; F1145-V1199 HydrophobicContact CZ-CG2 4.45Å |
| 1146 | T | 87.3 | Confident | 75.4 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.7 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | F1148 L1197 L1198 | T1146-F1148 HydrophobicContact CG2-CD1 4.43Å; T1146-F1148 HydrophobicContact CG2-CE1 3.85Å; T1146-F1148 HydrophobicContact CG2-CZ 4.11Å; T1146-L1197 CarbonylContact O-C 3.56Å; T1146-L1197 WeakPolarHBondContact O-CA 3.48Å; T1146-L1198 PolarHBondContact N-O 2.87Å; T1146-L1198 PolarHBondContact O-N 3.13Å |
| 1147 | T | 80.8 | Confident | 75.6 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127 | -176.6 | 86 | 0 | 0 | 0 | 0 | 110.7 | Q1150 V1156 N1169 F1171 L1197 | T1147-Q1150 WeakPolarHBondContact OG1-CG 3.48Å; T1147-Q1150 PolarHBondContact OG1-NE2 3.3Å; T1147-V1156 HydrophobicContact CG2-CG2 4.1Å; T1147-N1169 PolarHBondContact N-O 3.09Å; T1147-N1169 PolarHBondContact OG1-O 2.8Å; T1147-F1171 HydrophobicContact CG2-CE1 4.01Å; T1147-L1197 HydrophobicContact CG2-CD2 3.58Å |
| 1148 | F | 66.2 | Low | 75.8 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -99.2 | -19.4 | -174.6 | -62.3 | -59.3 | 0 | 0 | 0 | 115.4 | T1146 L1198 | T1146-F1148 HydrophobicContact CG2-CD1 4.43Å; T1146-F1148 HydrophobicContact CG2-CE1 3.85Å; T1146-F1148 HydrophobicContact CG2-CZ 4.11Å; F1148-L1198 HydrophobicContact CE2-CB 3.77Å; F1148-L1198 HydrophobicContact CE2-CD2 4.01Å; F1148-L1198 HydrophobicContact CE2-CG 4.48Å; F1148-L1198 HydrophobicContact CZ-CB 4.21Å; F1148-L1198 HydrophobicContact CZ-CD2 3.83Å |
| 1149 | H | 63.8 | Low | 75.9 | Confident | 134 Ų | 134 | 54 Ų | 54 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | trans | -125 | 54.2 | -168.9 | -66.6 | -80.4 | 0 | 0 | 0 | 114.2 | N1151 P1196 | H1149-N1151 VanDerWaalsContact C-N 3.28Å; H1149-N1151 PolarHBondContact O-N 2.65Å; H1149-P1196 HydrophobicContact CB-CG 4.39Å | ||
| 1150 | Q | 57.4 | Low | 75.1 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.9 | -175.9 | -68.2 | -116.2 | -32.1 | 0 | 0 | 116.1 | T1147 G1154 V1168 N1169 | T1147-Q1150 WeakPolarHBondContact OG1-CG 3.48Å; T1147-Q1150 PolarHBondContact OG1-NE2 3.3Å; Q1150-G1154 CarbonylContact O-C 3.58Å; Q1150-V1168 PolarHBondContact NE2-O 3.4Å; Q1150-N1169 VanDerWaalsContact CD-OD1 3.31Å; Q1150-N1169 WeakPolarHBondContact CG-OD1 3.2Å |
| 1151 | N | 54.7 | Low | 74.2 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 78% | 0.781 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -22.1 | -163.7 | -69.7 | -28.3 | 0 | 0 | 0 | 115.2 | H1149 | H1149-N1151 VanDerWaalsContact C-N 3.28Å; H1149-N1151 PolarHBondContact O-N 2.65Å |
| 1152 | E | 58.5 | Low | 73.1 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 64% | 0.64 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -28.3 | -169.1 | -63.2 | -161 | 167.5 | 0 | 0 | 115 | R1193 | E1152-R1193 PolarHBondContact O-NH1 3.18Š|
| 1153 | G | 59.5 | Low | 72 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -116.2 | -33.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1183 S1186 | G1153-Y1183 VanDerWaalsContact C-OH 3.25Å; G1153-Y1183 PolarHBondContact O-OH 3.31Å; G1153-S1186 PolarHBondContact O-N 3.42Å |
| 1154 | G | 71.5 | Confident | 71.5 | Confident | 9 Ų | 9 | 64 Ų | 64 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.9 | 165.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q1150 Y1183 K1184 | Q1150-G1154 CarbonylContact O-C 3.58Å; G1154-Y1183 WeakPolarHBondContact CA-OH 3.45Å; G1154-Y1183 PolarHBondContact N-OH 2.7Å; G1154-K1184 CarbonylContact C-O 2.69Å; G1154-K1184 WeakPolarHBondContact CA-O 3.16Å |
| 1155 | Q | 79.2 | Confident | 70.9 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146 | -175.5 | -66.9 | 172 | -40.5 | 0 | 0 | 110.6 | M1157 K1184 | Q1155-M1157 HydrophobicContact CB-SD 3.96Å; Q1155-K1184 PolarHBondContact N-O 3.01Å; Q1155-K1184 PolarHBondContact O-N 2.78Å |
| 1156 | V | 83.8 | Confident | 70.5 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.3 | 163.1 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | I1125 T1147 P1167 V1168 F1171 V1181 Y1182 Y1183 | I1125-V1156 HydrophobicContact CD1-CG1 4.27Å; I1125-V1156 HydrophobicContact CD1-CG2 4.23Å; T1147-V1156 HydrophobicContact CG2-CG2 4.1Å; V1156-P1167 WeakPolarHBondContact O-CA 3.35Å; V1156-V1168 HydrophobicContact CG1-CG2 4.25Å; V1156-V1168 PolarHBondContact O-N 2.76Å; V1156-F1171 HydrophobicContact CG1-CD1 3.92Å; V1156-F1171 HydrophobicContact CG1-CE1 3.83Å; V1156-V1181 HydrophobicContact CG1-CG1 3.62Å; V1156-Y1182 CarbonylContact C-O 2.66Å; V1156-Y1182 WeakPolarHBondContact CA-O 3.34Å; V1156-Y1183 HydrophobicContact CG2-CD2 4.32Å |
| 1157 | M | 85.3 | Confident | 70.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142 | -173.2 | -45 | -75 | -56.9 | 0 | 0 | 109.6 | L1122 Q1155 P1165 S1166 P1167 V1181 Y1182 K1184 | L1122-M1157 HydrophobicContact CD2-CG 4.06Å; Q1155-M1157 HydrophobicContact CB-SD 3.96Å; M1157-P1165 HydrophobicContact CB-CB 4.3Å; M1157-P1165 WeakPolarHBondContact CE-O 3.1Å; M1157-S1166 CarbonylContact C-O 3.55Å; M1157-S1166 WeakPolarHBondContact CA-O 3.08Å; M1157-P1167 HydrophobicContact CE-CB 4.43Å; M1157-P1167 HydrophobicContact SD-CB 3.97Å; M1157-V1181 WeakPolarHBondContact O-CA 3.14Å; M1157-Y1182 PolarHBondContact N-O 2.89Å; M1157-Y1182 PolarHBondContact O-N 3.03Å; M1157-K1184 HydrophobicContact CE-CD 4.24Å; M1157-K1184 HydrophobicContact CG-CB 3.89Å; M1157-K1184 HydrophobicContact CG-CD 4.18Å; M1157-K1184 HydrophobicContact SD-CB 4.22Å; M1157-K1184 HydrophobicContact SD-CD 3.64Å |
| 1158 | I | 83.7 | Confident | 70.4 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.097 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.5 | 168.9 | -92.7 | 178.4 | 0 | 0 | 0 | 110.2 | A1160 P1165 S1166 V1168 F1171 D1175 H1180 V1181 | I1158-A1160 HydrophobicContact CG2-CB 4.29Å; I1158-P1165 CarbonylContact O-C 3.52Å; I1158-P1165 VanDerWaalsContact O-CA 3.24Å; I1158-P1165 WeakPolarHBondContact O-CA 3.35Å; I1158-S1166 PolarHBondContact N-O 3.48Å; I1158-S1166 PolarHBondContact O-N 3.29Å; I1158-V1168 HydrophobicContact CB-CG1 4.08Å; I1158-V1168 HydrophobicContact CB-CG2 3.98Å; I1158-V1168 HydrophobicContact CD1-CG2 4.08Å; I1158-V1168 HydrophobicContact CG1-CG2 3.9Å; I1158-F1171 HydrophobicContact CD1-CB 3.65Å; I1158-D1175 HydrophobicContact CD1-CB 3.81Å; I1158-H1180 WeakPolarHBondContact CA-O 3.39Å; I1158-V1181 HydrophobicContact CD1-CG2 4.26Å; I1158-V1181 HydrophobicContact CG1-CG2 3.97Å |
| 1159 | D | 79.8 | Confident | 71.2 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | trans | -86.4 | 123.7 | 160.2 | -169 | -33.1 | 0 | 0 | 0 | 108.7 | G1162 Q1163 P1165 H1180 Y1182 | D1159-G1162 WeakPolarHBondContact OD1-CA 3.47Å; D1159-G1162 PolarHBondContact OD1-N 3.09Å; D1159-Q1163 PolarHBondContact OD1-N 3.45Å; D1159-P1165 HydrophobicContact CB-CB 4.31Å; D1159-H1180 PolarHBondContact N-O 2.83Å; D1159-H1180 WeakPolarHBondContact O-CB 3.36Å; D1159-Y1182 HydrophobicContact CB-CE2 4.14Å | ||
| 1160 | A | 60.4 | Low | 72.4 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | trans | -118.4 | 117 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I1158 G1162 Q1163 | I1158-A1160 HydrophobicContact CG2-CB 4.29Å; A1160-G1162 PolarHBondContact O-N 2.98Å; A1160-G1162 VanDerWaalsContact O-N 3.12Å; A1160-Q1163 WeakPolarHBondContact O-CB 3.34Å; A1160-Q1163 WeakPolarHBondContact O-CG 3.38Å; A1160-Q1163 PolarHBondContact O-N 2.77Å; A1160-Q1163 VanDerWaalsContact O-N 3.08Å | ||
| 1161 | D | 59.7 | Low | 73.9 | Confident | 162 Ų | 162 | 66.7 Ų | 66.7 | 87% | 0.866 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 36.2 | 177.8 | -61.7 | -40.3 | 0 | 0 | 0 | 115 | ||
| 1162 | G | 58.3 | Low | 75.5 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 73% | 0.732 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 22.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1159 A1160 | D1159-G1162 WeakPolarHBondContact OD1-CA 3.47Å; D1159-G1162 PolarHBondContact OD1-N 3.09Å; A1160-G1162 PolarHBondContact O-N 2.98Å; A1160-G1162 VanDerWaalsContact O-N 3.12Å |
| 1163 | Q | 61.1 | Low | 76.9 | Confident | 139 Ų | 139 | 55 Ų | 55 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -87.5 | 163 | 171.7 | -63.1 | -172.8 | 42.3 | 0 | 0 | 111.5 | D1159 A1160 P1165 | D1159-Q1163 PolarHBondContact OD1-N 3.45Å; A1160-Q1163 WeakPolarHBondContact O-CB 3.34Å; A1160-Q1163 WeakPolarHBondContact O-CG 3.38Å; A1160-Q1163 PolarHBondContact O-N 2.77Å; A1160-Q1163 VanDerWaalsContact O-N 3.08Å; Q1163-P1165 WeakPolarHBondContact O-CD 3.41Å |
| 1164 | T | 72.6 | Confident | 78.1 | Confident | 131 Ų | 131 | 60 Ų | 60 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 124.5 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | S1166 | T1164-S1166 PolarHBondContact O-N 3.17Š|
| 1165 | P | 75.5 | Confident | 78.8 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 132.5 | -171.3 | 16.8 | -30.3 | 0 | 0 | 0 | 112.1 | L1122 M1157 I1158 D1159 Q1163 | L1122-P1165 HydrophobicContact CD1-CG 3.68Å; M1157-P1165 HydrophobicContact CB-CB 4.3Å; M1157-P1165 WeakPolarHBondContact CE-O 3.1Å; I1158-P1165 CarbonylContact O-C 3.52Å; I1158-P1165 VanDerWaalsContact O-CA 3.24Å; I1158-P1165 WeakPolarHBondContact O-CA 3.35Å; D1159-P1165 HydrophobicContact CB-CB 4.31Å; Q1163-P1165 WeakPolarHBondContact O-CD 3.41Å |
| 1166 | S | 81.5 | Confident | 79.2 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.3 | -167.1 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | M1157 I1158 T1164 | M1157-S1166 CarbonylContact C-O 3.55Å; M1157-S1166 WeakPolarHBondContact CA-O 3.08Å; I1158-S1166 PolarHBondContact N-O 3.48Å; I1158-S1166 PolarHBondContact O-N 3.29Å; T1164-S1166 PolarHBondContact O-N 3.17Å |
| 1167 | P | 83.1 | Confident | 79 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.9 | -176.8 | 29.2 | -33.8 | 0 | 0 | 0 | 111.3 | V1156 M1157 | V1156-P1167 WeakPolarHBondContact O-CA 3.35Å; M1157-P1167 HydrophobicContact CE-CB 4.43Å; M1157-P1167 HydrophobicContact SD-CB 3.97Å |
| 1168 | V | 82.8 | Confident | 78.7 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -129 | 135.4 | -176.3 | -68 | 0 | 0 | 0 | 0 | 111.7 | Q1150 V1156 I1158 | Q1150-V1168 PolarHBondContact NE2-O 3.4Å; V1156-V1168 HydrophobicContact CG1-CG2 4.25Å; V1156-V1168 PolarHBondContact O-N 2.76Å; I1158-V1168 HydrophobicContact CB-CG1 4.08Å; I1158-V1168 HydrophobicContact CB-CG2 3.98Å; I1158-V1168 HydrophobicContact CD1-CG2 4.08Å; I1158-V1168 HydrophobicContact CG1-CG2 3.9Å | ||
| 1169 | N | 83.9 | Confident | 78.4 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -82.4 | -16.9 | 176.6 | -70.8 | -19.5 | 0 | 0 | 0 | 113.2 | T1147 Q1150 | T1147-N1169 PolarHBondContact N-O 3.09Å; T1147-N1169 PolarHBondContact OG1-O 2.8Å; Q1150-N1169 VanDerWaalsContact CD-OD1 3.31Å; Q1150-N1169 WeakPolarHBondContact CG-OD1 3.2Å |
| 1170 | Q | 87.1 | Confident | 78.5 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 144.1 | -174.9 | -175.7 | 178.5 | -3.6 | 0 | 0 | 109.4 | F1145 | F1145-Q1170 CarbonylContact O-C 3.49Å; F1145-Q1170 VanDerWaalsContact O-CA 3.22Å; F1145-Q1170 WeakPolarHBondContact O-CA 3.18Å |
| 1171 | F | 89.3 | Confident | 79.8 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.7 | 173.6 | 57.6 | -84.9 | 0 | 0 | 0 | 110.3 | F1145 T1147 V1156 I1158 D1175 L1176 V1181 L1197 | F1145-F1171 HydrophobicContact CB-CD1 4.04Å; F1145-F1171 HydrophobicContact CB-CD2 3.77Å; F1145-F1171 HydrophobicContact CB-CE1 3.72Å; F1145-F1171 HydrophobicContact CB-CE2 3.43Å; F1145-F1171 VanDerWaalsContact CB-CE2 3.43Å; F1145-F1171 HydrophobicContact CB-CG 4.06Å; F1145-F1171 HydrophobicContact CB-CZ 3.41Å; F1145-F1171 VanDerWaalsContact CB-CZ 3.41Å; F1145-F1171 AromaticContact CD1-CE2 4Å; F1145-F1171 HydrophobicContact CD1-CE2 4Å; F1145-F1171 HydrophobicContact CD1-CZ 4.11Å; F1145-F1171 AromaticContact CD2-CD2 3.96Å; F1145-F1171 HydrophobicContact CD2-CD2 3.96Å; F1145-F1171 AromaticContact CD2-CE2 3.75Å; F1145-F1171 HydrophobicContact CD2-CE2 3.75Å; F1145-F1171 HydrophobicContact CG-CD2 4Å; F1145-F1171 AromaticContact CG-CE2 3.46Å; F1145-F1171 HydrophobicContact CG-CE2 3.46Å; F1145-F1171 VanDerWaalsContact CG-CE2 3.46Å; F1145-F1171 AromaticContact CG-CZ 3.79Å; F1145-F1171 HydrophobicContact CG-CZ 3.79Å; F1145-F1171 PolarHBondContact N-O 2.9Å; F1145-F1171 PolarHBondContact O-N 2.59Å; T1147-F1171 HydrophobicContact CG2-CE1 4.01Å; V1156-F1171 HydrophobicContact CG1-CD1 3.92Å; V1156-F1171 HydrophobicContact CG1-CE1 3.83Å; I1158-F1171 HydrophobicContact CD1-CB 3.65Å; F1171-D1175 HydrophobicContact CB-CB 4.31Å; F1171-L1176 HydrophobicContact CD2-CD2 4.4Å; F1171-L1176 HydrophobicContact CD2-CG 4.12Å; F1171-L1176 HydrophobicContact CE2-CD1 3.99Å; F1171-L1176 HydrophobicContact CE2-CD2 3.93Å; F1171-L1176 HydrophobicContact CE2-CG 3.89Å; F1171-V1181 HydrophobicContact CB-CG2 4.27Å; F1171-V1181 HydrophobicContact CD1-CG1 4.46Å; F1171-V1181 HydrophobicContact CD2-CG1 4.2Å; F1171-V1181 HydrophobicContact CD2-CG2 3.9Å; F1171-V1181 HydrophobicContact CE2-CG1 4.24Å; F1171-V1181 HydrophobicContact CG-CG1 4.31Å; F1171-V1181 HydrophobicContact CG-CG2 4.21Å; F1171-V1181 HydrophobicContact CZ-CG1 4.39Å; F1171-L1197 HydrophobicContact CE1-CD2 4.42Å; F1171-L1197 HydrophobicContact CZ-CD2 4.46Å |
| 1172 | T | 89.4 | Confident | 81.1 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 170.6 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | I1143 T1144 E1174 D1175 L1176 | I1143-T1172 CarbonylContact O-C 3.11Å; I1143-T1172 VanDerWaalsContact O-CA 3.3Å; I1143-T1172 WeakPolarHBondContact O-CA 3.44Å; T1144-T1172 HydrophobicContact CG2-CG2 4.26Å; T1172-E1174 PolarHBondContact OG1-N 3.48Å; T1172-D1175 WeakPolarHBondContact CB-OD2 3.05Å; T1172-D1175 PolarHBondContact N-OD2 3.35Å; T1172-D1175 PolarHBondContact O-N 3.49Å; T1172-D1175 PolarHBondContact OG1-N 2.77Å; T1172-D1175 PolarHBondContact OG1-OD2 3.35Å; T1172-L1176 PolarHBondContact O-N 3.43Å |
| 1173 | M | 86.9 | Confident | 82.3 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -28.2 | 165.8 | -159.7 | 82.8 | -179.1 | 0 | 0 | 111.3 | L1127 I1132 Y1140 I1143 F1145 D1175 L1176 V1177 | L1127-M1173 HydrophobicContact CD1-CE 3.56Å; L1127-M1173 HydrophobicContact CG-CE 3.81Å; I1132-M1173 HydrophobicContact CD1-CE 3.47Å; I1132-M1173 VanDerWaalsContact CD1-CE 3.47Å; I1132-M1173 HydrophobicContact CD1-SD 3.62Å; I1132-M1173 HydrophobicContact CG1-CE 4.39Å; Y1140-M1173 HydrophobicContact CD1-CB 4.23Å; Y1140-M1173 HydrophobicContact CD1-CG 3.81Å; Y1140-M1173 HydrophobicContact CE1-CG 4.46Å; Y1140-M1173 HydrophobicContact CG-CG 4.44Å; Y1140-M1173 CarbonylContact O-C 3.55Å; Y1140-M1173 VanDerWaalsContact O-CB 3.3Å; Y1140-M1173 WeakPolarHBondContact O-CB 3.38Å; Y1140-M1173 PolarHBondContact O-N 3.34Å; I1143-M1173 HydrophobicContact CB-CB 4.03Å; I1143-M1173 HydrophobicContact CG2-CB 4.3Å; I1143-M1173 PolarHBondContact O-N 3.3Å; F1145-M1173 HydrophobicContact CE2-CB 4.17Å; F1145-M1173 HydrophobicContact CE2-SD 3.52Å; F1145-M1173 VanDerWaalsContact CE2-SD 3.52Å; F1145-M1173 HydrophobicContact CZ-SD 3.49Å; F1145-M1173 WeakPolarHBondContact CZ-SD 3.48Å; M1173-D1175 VanDerWaalsContact C-N 3.34Å; M1173-D1175 PolarHBondContact O-N 3.43Å; M1173-L1176 HydrophobicContact CE-CD1 4.49Å; M1173-L1176 WeakPolarHBondContact O-CB 3.33Å; M1173-L1176 PolarHBondContact O-N 2.82Å; M1173-L1176 VanDerWaalsContact O-N 3.13Å; M1173-L1176 HydrophobicContact SD-CD1 3.85Å; M1173-V1177 VanDerWaalsContact O-CG2 3.3Å; M1173-V1177 WeakPolarHBondContact O-CG2 3.37Å; M1173-V1177 PolarHBondContact O-N 2.83Å |
| 1174 | E | 85.8 | Confident | 83.2 | Confident | 114 Ų | 114 | 54.6 Ų | 54.6 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 174.8 | -172.6 | 163.1 | -144.6 | 0 | 0 | 112.2 | Y1140 T1172 L1176 V1177 S1178 | Y1140-E1174 PolarHBondContact O-N 3.08Å; T1172-E1174 PolarHBondContact OG1-N 3.48Å; E1174-L1176 VanDerWaalsContact C-N 3.31Å; E1174-L1176 PolarHBondContact O-N 2.72Å; E1174-V1177 PolarHBondContact O-N 3.14Å; E1174-S1178 WeakPolarHBondContact O-CB 2.98Å; E1174-S1178 PolarHBondContact O-N 3.19Å; E1174-S1178 PolarHBondContact O-OG 3.4Å |
| 1175 | D | 86.7 | Confident | 83.1 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -35 | 171.1 | -60.8 | -57.7 | 0 | 0 | 0 | 112.2 | I1158 F1171 T1172 M1173 S1178 G1179 H1180 V1181 | I1158-D1175 HydrophobicContact CD1-CB 3.81Å; F1171-D1175 HydrophobicContact CB-CB 4.31Å; T1172-D1175 WeakPolarHBondContact CB-OD2 3.05Å; T1172-D1175 PolarHBondContact N-OD2 3.35Å; T1172-D1175 PolarHBondContact O-N 3.49Å; T1172-D1175 PolarHBondContact OG1-N 2.77Å; T1172-D1175 PolarHBondContact OG1-OD2 3.35Å; M1173-D1175 VanDerWaalsContact C-N 3.34Å; M1173-D1175 PolarHBondContact O-N 3.43Å; D1175-S1178 WeakPolarHBondContact CA-OG 3.23Å; D1175-S1178 PolarHBondContact O-OG 3.35Å; D1175-G1179 PolarHBondContact O-N 2.85Å; D1175-H1180 PolarHBondContact O-N 3.44Å; D1175-H1180 VanDerWaalsContact O-N 3.08Å; D1175-V1181 HydrophobicContact CB-CG2 3.56Å |
| 1176 | L | 86.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 173.7 | -71.4 | 175.1 | 0 | 0 | 0 | 112.7 | I1125 L1127 F1130 F1145 F1171 T1172 M1173 E1174 G1179 V1181 | I1125-L1176 HydrophobicContact CB-CD2 3.92Å; I1125-L1176 HydrophobicContact CG2-CD2 3.54Å; L1127-L1176 HydrophobicContact CD1-CB 4.21Å; F1130-L1176 HydrophobicContact CD2-CD1 3.95Å; F1130-L1176 HydrophobicContact CE2-CD1 3.76Å; F1130-L1176 HydrophobicContact CE2-CD2 4.36Å; F1145-L1176 HydrophobicContact CD2-CD1 4.25Å; F1145-L1176 HydrophobicContact CE1-CD1 4.26Å; F1145-L1176 HydrophobicContact CE2-CD1 3.67Å; F1145-L1176 HydrophobicContact CZ-CD1 3.68Å; F1171-L1176 HydrophobicContact CD2-CD2 4.4Å; F1171-L1176 HydrophobicContact CD2-CG 4.12Å; F1171-L1176 HydrophobicContact CE2-CD1 3.99Å; F1171-L1176 HydrophobicContact CE2-CD2 3.93Å; F1171-L1176 HydrophobicContact CE2-CG 3.89Å; T1172-L1176 PolarHBondContact O-N 3.43Å; M1173-L1176 HydrophobicContact CE-CD1 4.49Å; M1173-L1176 WeakPolarHBondContact O-CB 3.33Å; M1173-L1176 PolarHBondContact O-N 2.82Å; M1173-L1176 VanDerWaalsContact O-N 3.13Å; M1173-L1176 HydrophobicContact SD-CD1 3.85Å; E1174-L1176 VanDerWaalsContact C-N 3.31Å; E1174-L1176 PolarHBondContact O-N 2.72Å; L1176-G1179 PolarHBondContact O-N 3.32Å; L1176-V1181 HydrophobicContact CD2-CB 3.98Å; L1176-V1181 HydrophobicContact CD2-CG1 4.35Å; L1176-V1181 HydrophobicContact CD2-CG2 4.04Å; L1176-V1181 HydrophobicContact CG-CG2 4.39Å |
| 1177 | V | 79.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 179.2 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | L1127 Y1140 M1173 E1174 G1179 | L1127-V1177 HydrophobicContact CD1-CB 4.44Å; L1127-V1177 HydrophobicContact CD1-CG2 3.44Å; L1127-V1177 VanDerWaalsContact CD1-CG2 3.44Å; Y1140-V1177 HydrophobicContact CD1-CG2 4.45Å; Y1140-V1177 HydrophobicContact CD2-CG2 3.83Å; Y1140-V1177 HydrophobicContact CE2-CG2 4Å; Y1140-V1177 HydrophobicContact CG-CG2 4.07Å; M1173-V1177 VanDerWaalsContact O-CG2 3.3Å; M1173-V1177 WeakPolarHBondContact O-CG2 3.37Å; M1173-V1177 PolarHBondContact O-N 2.83Å; E1174-V1177 PolarHBondContact O-N 3.14Å; V1177-G1179 PolarHBondContact O-N 3.01Å |
| 1178 | S | 80 | Confident | 80.1 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.8 | -17.4 | 173.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | E1174 D1175 H1180 | E1174-S1178 WeakPolarHBondContact O-CB 2.98Å; E1174-S1178 PolarHBondContact O-N 3.19Å; E1174-S1178 PolarHBondContact O-OG 3.4Å; D1175-S1178 WeakPolarHBondContact CA-OG 3.23Å; D1175-S1178 PolarHBondContact O-OG 3.35Å; S1178-H1180 PolarHBondContact OG-ND1 2.93Å; S1178-H1180 VanDerWaalsContact OG-ND1 3.07Å |
| 1179 | G | 76.9 | Confident | 78.5 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 17.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1175 L1176 V1177 Y1182 | D1175-G1179 PolarHBondContact O-N 2.85Å; L1176-G1179 PolarHBondContact O-N 3.32Å; V1177-G1179 PolarHBondContact O-N 3.01Å; G1179-Y1182 PolarHBondContact O-OH 2.88Å |
| 1180 | H | 81.8 | Confident | 76.9 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | trans | -83.5 | -9.1 | -174.9 | -66.2 | 146.7 | 0 | 0 | 0 | 114.6 | I1158 D1159 D1175 S1178 Y1182 | I1158-H1180 WeakPolarHBondContact CA-O 3.39Å; D1159-H1180 PolarHBondContact N-O 2.83Å; D1159-H1180 WeakPolarHBondContact O-CB 3.36Å; D1175-H1180 PolarHBondContact O-N 3.44Å; D1175-H1180 VanDerWaalsContact O-N 3.08Å; S1178-H1180 PolarHBondContact OG-ND1 2.93Å; S1178-H1180 VanDerWaalsContact OG-ND1 3.07Å; H1180-Y1182 VanDerWaalsContact O-CD2 3.26Å; H1180-Y1182 WeakPolarHBondContact O-CD2 3.18Å; H1180-Y1182 VanDerWaalsContact O-CE2 3.25Å; H1180-Y1182 WeakPolarHBondContact O-CE2 2.87Å | ||
| 1181 | V | 86.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.3 | -175.9 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | I1125 V1156 M1157 I1158 F1171 D1175 L1176 | I1125-V1181 HydrophobicContact CB-CB 4.28Å; I1125-V1181 HydrophobicContact CB-CG1 3.96Å; I1125-V1181 HydrophobicContact CD1-CG1 3.85Å; I1125-V1181 HydrophobicContact CG1-CG1 4.07Å; I1125-V1181 PolarHBondContact N-O 2.64Å; V1156-V1181 HydrophobicContact CG1-CG1 3.62Å; M1157-V1181 WeakPolarHBondContact O-CA 3.14Å; I1158-V1181 HydrophobicContact CD1-CG2 4.26Å; I1158-V1181 HydrophobicContact CG1-CG2 3.97Å; F1171-V1181 HydrophobicContact CB-CG2 4.27Å; F1171-V1181 HydrophobicContact CD1-CG1 4.46Å; F1171-V1181 HydrophobicContact CD2-CG1 4.2Å; F1171-V1181 HydrophobicContact CD2-CG2 3.9Å; F1171-V1181 HydrophobicContact CE2-CG1 4.24Å; F1171-V1181 HydrophobicContact CG-CG1 4.31Å; F1171-V1181 HydrophobicContact CG-CG2 4.21Å; F1171-V1181 HydrophobicContact CZ-CG1 4.39Å; D1175-V1181 HydrophobicContact CB-CG2 3.56Å; L1176-V1181 HydrophobicContact CD2-CB 3.98Å; L1176-V1181 HydrophobicContact CD2-CG1 4.35Å; L1176-V1181 HydrophobicContact CD2-CG2 4.04Å; L1176-V1181 HydrophobicContact CG-CG2 4.39Å |
| 1182 | Y | 87.2 | Confident | 73.2 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.6 | 178.3 | -53.7 | -86.7 | 0 | 0 | 0 | 112.5 | L1122 M1123 P1124 V1156 M1157 D1159 G1179 H1180 | L1122-Y1182 HydrophobicContact CB-CD1 4.13Å; L1122-Y1182 HydrophobicContact CB-CG 4.23Å; M1123-Y1182 CarbonylContact O-C 3.57Å; M1123-Y1182 WeakPolarHBondContact O-CA 3.21Å; P1124-Y1182 HydrophobicContact CB-CD1 4.01Å; P1124-Y1182 HydrophobicContact CB-CE1 4.06Å; V1156-Y1182 CarbonylContact C-O 2.66Å; V1156-Y1182 WeakPolarHBondContact CA-O 3.34Å; M1157-Y1182 PolarHBondContact N-O 2.89Å; M1157-Y1182 PolarHBondContact O-N 3.03Å; D1159-Y1182 HydrophobicContact CB-CE2 4.14Å; G1179-Y1182 PolarHBondContact O-OH 2.88Å; H1180-Y1182 VanDerWaalsContact O-CD2 3.26Å; H1180-Y1182 WeakPolarHBondContact O-CD2 3.18Å; H1180-Y1182 VanDerWaalsContact O-CE2 3.25Å; H1180-Y1182 WeakPolarHBondContact O-CE2 2.87Å |
| 1183 | Y | 83.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.8 | 167.7 | -175.7 | -110.8 | 0 | 0 | 0 | 111.7 | M1123 G1153 G1154 V1156 C1185 I1195 | M1123-Y1183 HydrophobicContact CE-CD1 3.9Å; M1123-Y1183 PolarHBondContact N-O 2.85Å; M1123-Y1183 PolarHBondContact O-N 3.21Å; M1123-Y1183 HydrophobicContact SD-CD1 4.21Å; G1153-Y1183 VanDerWaalsContact C-OH 3.25Å; G1153-Y1183 PolarHBondContact O-OH 3.31Å; G1154-Y1183 WeakPolarHBondContact CA-OH 3.45Å; G1154-Y1183 PolarHBondContact N-OH 2.7Å; V1156-Y1183 HydrophobicContact CG2-CD2 4.32Å; Y1183-C1185 HydrophobicContact CE1-CB 4.08Å; Y1183-I1195 HydrophobicContact CD1-CD1 4.18Å; Y1183-I1195 HydrophobicContact CD2-CD1 3.65Å; Y1183-I1195 HydrophobicContact CE1-CD1 4.02Å; Y1183-I1195 HydrophobicContact CE2-CD1 3.48Å; Y1183-I1195 VanDerWaalsContact CE2-CD1 3.48Å; Y1183-I1195 HydrophobicContact CE2-CG1 3.95Å; Y1183-I1195 HydrophobicContact CG-CD1 3.99Å |
| 1184 | K | 80.4 | Confident | 70.7 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 91.3 | -177.3 | -175.1 | -175.5 | 174.8 | -169.7 | 0 | 110.1 | L1122 G1154 Q1155 M1157 | L1122-K1184 HydrophobicContact CD2-CB 4.01Å; L1122-K1184 HydrophobicContact CD2-CD 4.41Å; L1122-K1184 HydrophobicContact CD2-CG 4.25Å; G1154-K1184 CarbonylContact C-O 2.69Å; G1154-K1184 WeakPolarHBondContact CA-O 3.16Å; Q1155-K1184 PolarHBondContact N-O 3.01Å; Q1155-K1184 PolarHBondContact O-N 2.78Å; M1157-K1184 HydrophobicContact CE-CD 4.24Å; M1157-K1184 HydrophobicContact CG-CB 3.89Å; M1157-K1184 HydrophobicContact CG-CD 4.18Å; M1157-K1184 HydrophobicContact SD-CB 4.22Å; M1157-K1184 HydrophobicContact SD-CD 3.64Å |
| 1185 | C | 70.7 | Confident | 70.1 | Confident | 16 Ų | 16 | 76.6 Ų | 76.6 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 137.7 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 113.1 | C1119 Y1183 | C1119-C1185 HydrophobicContact CB-CB 3.67Å; C1119-C1185 WeakPolarHBondContact CB-SG 3.24Å; C1119-C1185 WeakPolarHBondContact SG-CB 3.42Å; C1119-C1185 CovalentContact SG-SG 2.04Å; C1119-C1185 PolarHBondContact SG-SG 2.72Å; Y1183-C1185 HydrophobicContact CE1-CB 4.08Å |
| 1186 | S | 65.7 | Low | 69.6 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | trans | -88.1 | 142.1 | 171.1 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | G1153 K1188 | G1153-S1186 PolarHBondContact O-N 3.42Å; S1186-K1188 PolarHBondContact O-N 2.7Å | ||
| 1187 | K | 57.2 | Low | 69.4 | Low | 190 Ų | 190 | 77.1 Ų | 77.1 | 83% | 0.826 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 38.7 | -168.5 | -62.9 | -174.6 | 175.1 | -178.5 | 0 | 115.6 | ||
| 1188 | K | 54.9 | Low | 69.7 | Low | 192 Ų | 192 | 75.9 Ų | 75.9 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.1 | 19.6 | -165.4 | -99.9 | -169.2 | 174.7 | -172.7 | 0 | 117 | S1186 | S1186-K1188 PolarHBondContact O-N 2.7Š|
| 1189 | V | 49.4 | Very low | 70.1 | Confident | 32 Ų | 32 | 73 Ų | 73 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | trans | -137.2 | 119 | -174.5 | -167 | 0 | 0 | 0 | 0 | 112.4 | R1193 | V1189-R1193 HydrophobicContact CG1-CG 4.02Š| ||
| 1190 | D | 49.6 | Very low | 70.4 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 83% | 0.834 | 34% | 0.341 | S | S | * | . | trans | -99.2 | 4 | 178.8 | -79.7 | -51.9 | 0 | 0 | 0 | 114.3 | ||||
| 1191 | Y | 49.7 | Very low | 70.4 | Confident | 177 Ų | 177 | 70.1 Ų | 70.1 | 69% | 0.694 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -115.2 | 146.3 | -174.5 | -55.8 | -76.7 | 0 | 0 | 0 | 111.4 | R1193 | Y1191-R1193 PolarHBondContact O-N 2.72Å; Y1191-R1193 VanDerWaalsContact O-N 3.08Å |
| 1192 | P | 47.6 | Very low | 69.7 | Low | 73 Ų | 73 | 76.1 Ų | 76.1 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | trans | -60.6 | 115.5 | 174.4 | 26.3 | -33.6 | 0 | 0 | 0 | 109.3 | P1214 | P1192-P1214 HydrophobicContact CB-CG 4.33Š| ||
| 1193 | R | 58.4 | Low | 69.2 | Low | 92 Ų | 92 | 82.1 Ų | 82.1 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | trans | -108.7 | 122.4 | 176.3 | -82.3 | -167.2 | 174.6 | 170.9 | -8.4 | 110.3 | E1152 V1189 Y1191 T1212 | E1152-R1193 PolarHBondContact O-NH1 3.18Å; V1189-R1193 HydrophobicContact CG1-CG 4.02Å; Y1191-R1193 PolarHBondContact O-N 2.72Å; Y1191-R1193 VanDerWaalsContact O-N 3.08Å; R1193-T1212 PolarHBondContact N-OG1 2.79Å; R1193-T1212 WeakPolarHBondContact O-CG2 3.28Å; R1193-T1212 PolarHBondContact O-OG1 3.01Å | ||
| 1194 | W | 66.4 | Low | 68.7 | Low | 163 Ų | 163 | 83.8 Ų | 83.8 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | trans | -61.9 | 130 | 156.6 | 7.9 | 73.7 | 0 | 0 | 0 | 109 | P1196 L1210 H1211 | W1194-P1196 WeakPolarHBondContact O-CD 2.93Å; W1194-L1210 WeakPolarHBondContact CA-O 3.14Å; W1194-H1211 AromaticContact CE3-CE1 3.62Å; W1194-H1211 AromaticContact CE3-ND1 3.64Å; W1194-H1211 AromaticContact CZ3-CE1 3.82Å; W1194-H1211 AromaticContact CZ3-ND1 3.99Å | ||
| 1195 | I | 73.8 | Confident | 68.7 | Low | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.087 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.3 | 167.3 | -56.8 | 155.1 | 0 | 0 | 0 | 106.3 | Y1183 L1197 L1210 | Y1183-I1195 HydrophobicContact CD1-CD1 4.18Å; Y1183-I1195 HydrophobicContact CD2-CD1 3.65Å; Y1183-I1195 HydrophobicContact CE1-CD1 4.02Å; Y1183-I1195 HydrophobicContact CE2-CD1 3.48Å; Y1183-I1195 VanDerWaalsContact CE2-CD1 3.48Å; Y1183-I1195 HydrophobicContact CE2-CG1 3.95Å; Y1183-I1195 HydrophobicContact CG-CD1 3.99Å; I1195-L1197 HydrophobicContact CG2-CD2 4.12Å; I1195-L1197 PolarHBondContact O-N 2.84Å; I1195-L1210 HydrophobicContact CB-CB 4.15Å; I1195-L1210 HydrophobicContact CD1-CD2 4.17Å; I1195-L1210 PolarHBondContact N-O 3.06Å; I1195-L1210 PolarHBondContact O-N 3.41Å |
| 1196 | P | 75.2 | Confident | 69.2 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.6 | 179.5 | 30 | -32.9 | 0 | 0 | 0 | 110.2 | H1149 W1194 | H1149-P1196 HydrophobicContact CB-CG 4.39Å; W1194-P1196 WeakPolarHBondContact O-CD 2.93Å |
| 1197 | L | 83.3 | Confident | 70 | Confident | 5 Ų | 5 | 86 Ų | 86 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.1 | 176.8 | -57.2 | 175.1 | 0 | 0 | 0 | 108.6 | F1130 F1145 T1146 T1147 F1171 I1195 V1208 L1210 | F1130-L1197 HydrophobicContact CE1-CD1 3.71Å; F1130-L1197 HydrophobicContact CZ-CD1 3.61Å; F1145-L1197 HydrophobicContact CD1-CD1 4.37Å; T1146-L1197 CarbonylContact O-C 3.56Å; T1146-L1197 WeakPolarHBondContact O-CA 3.48Å; T1147-L1197 HydrophobicContact CG2-CD2 3.58Å; F1171-L1197 HydrophobicContact CE1-CD2 4.42Å; F1171-L1197 HydrophobicContact CZ-CD2 4.46Å; I1195-L1197 HydrophobicContact CG2-CD2 4.12Å; I1195-L1197 PolarHBondContact O-N 2.84Å; L1197-V1208 PolarHBondContact N-O 3.19Å; L1197-V1208 PolarHBondContact O-N 2.94Å; L1197-L1210 HydrophobicContact CD1-CB 4.16Å; L1197-L1210 HydrophobicContact CD1-CD2 4.15Å |
| 1198 | L | 86.2 | Confident | 71 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.6 | 166.4 | -174.8 | 68.5 | 0 | 0 | 0 | 108.1 | F1145 T1146 F1148 | F1145-L1198 CarbonylContact C-O 3.56Å; F1145-L1198 WeakPolarHBondContact CA-O 3.39Å; T1146-L1198 PolarHBondContact N-O 2.87Å; T1146-L1198 PolarHBondContact O-N 3.13Å; F1148-L1198 HydrophobicContact CE2-CB 3.77Å; F1148-L1198 HydrophobicContact CE2-CD2 4.01Å; F1148-L1198 HydrophobicContact CE2-CG 4.48Å; F1148-L1198 HydrophobicContact CZ-CB 4.21Å; F1148-L1198 HydrophobicContact CZ-CD2 3.83Å |
| 1199 | V | 87.5 | Confident | 72 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.3 | 179.2 | -164.9 | 0 | 0 | 0 | 0 | 108.4 | F1107 V1109 I1143 T1144 F1145 S1205 V1206 V1208 | F1107-V1199 HydrophobicContact CE1-CG1 4.11Å; F1107-V1199 HydrophobicContact CZ-CG1 4.11Å; V1109-V1199 HydrophobicContact CG1-CG2 4.26Å; V1109-V1199 HydrophobicContact CG2-CB 4.36Å; V1109-V1199 HydrophobicContact CG2-CG1 4.06Å; I1143-V1199 HydrophobicContact CG2-CG1 3.56Å; T1144-V1199 WeakPolarHBondContact O-CA 3.38Å; F1145-V1199 HydrophobicContact CD1-CB 4.42Å; F1145-V1199 HydrophobicContact CD1-CG1 4.16Å; F1145-V1199 HydrophobicContact CD1-CG2 3.57Å; F1145-V1199 HydrophobicContact CE1-CB 4.4Å; F1145-V1199 HydrophobicContact CE1-CG1 3.9Å; F1145-V1199 HydrophobicContact CE1-CG2 3.57Å; F1145-V1199 HydrophobicContact CE2-CG1 4.32Å; F1145-V1199 HydrophobicContact CG-CG1 4.48Å; F1145-V1199 HydrophobicContact CG-CG2 4.44Å; F1145-V1199 HydrophobicContact CZ-CG1 3.97Å; F1145-V1199 HydrophobicContact CZ-CG2 4.45Å; V1199-S1205 CarbonylContact O-C 3.58Å; V1199-S1205 WeakPolarHBondContact O-CA 3.03Å; V1199-V1206 PolarHBondContact N-O 2.67Å; V1199-V1206 PolarHBondContact O-N 3.12Å; V1199-V1208 HydrophobicContact CG2-CB 4.13Å; V1199-V1208 HydrophobicContact CG2-CG2 3.61Å |
| 1200 | S | 83 | Confident | 73.1 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.9 | -169.7 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | I1143 T1144 Y1204 | I1143-S1200 WeakPolarHBondContact CA-O 3.35Å; T1144-S1200 PolarHBondContact N-O 2.77Å; T1144-S1200 PolarHBondContact O-N 2.62Å; T1144-S1200 PolarHBondContact O-OG 2.8Å; T1144-S1200 PolarHBondContact OG1-OG 2.92Å; S1200-Y1204 WeakPolarHBondContact CA-O 2.8Å |
| 1201 | F | 81.9 | Confident | 74 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 120 | 177.6 | 170.5 | -105.2 | 0 | 0 | 0 | 108.6 | F1107 M1136 N1137 F1138 D1142 I1143 R1203 Y1204 | F1107-F1201 HydrophobicContact CD1-CB 4.33Å; F1107-F1201 HydrophobicContact CD2-CB 4.23Å; F1107-F1201 HydrophobicContact CD2-CD1 4.13Å; F1107-F1201 HydrophobicContact CD2-CG 4.42Å; F1107-F1201 HydrophobicContact CE1-CB 4.02Å; F1107-F1201 HydrophobicContact CE2-CB 3.92Å; F1107-F1201 HydrophobicContact CE2-CD1 4.44Å; F1107-F1201 HydrophobicContact CE2-CG 4.29Å; F1107-F1201 HydrophobicContact CG-CB 4.43Å; F1107-F1201 HydrophobicContact CZ-CB 3.81Å; M1136-F1201 HydrophobicContact CB-CE1 4.18Å; M1136-F1201 HydrophobicContact CE-CD1 3.81Å; M1136-F1201 HydrophobicContact CE-CE1 3.72Å; M1136-F1201 HydrophobicContact SD-CE1 4.04Å; N1137-F1201 WeakPolarHBondContact O-CZ 2.99Å; F1138-F1201 HydrophobicContact CB-CD2 4.04Å; F1138-F1201 HydrophobicContact CB-CE2 3.36Å; F1138-F1201 HydrophobicContact CB-CZ 3.65Å; D1142-F1201 HydrophobicContact CB-CD2 3.79Å; D1142-F1201 HydrophobicContact CB-CE2 3.72Å; I1143-F1201 HydrophobicContact CG1-CB 4.3Å; I1143-F1201 HydrophobicContact CG1-CD2 4.22Å; I1143-F1201 HydrophobicContact CG1-CG 4.48Å; F1201-R1203 PolarHBondContact O-N 3.38Å; F1201-Y1204 PolarHBondContact N-O 2.83Å; F1201-Y1204 WeakPolarHBondContact O-CA 3.5Å; F1201-Y1204 WeakPolarHBondContact O-CB 3.32Å; F1201-Y1204 PolarHBondContact O-N 2.94Å |
| 1202 | D | 71.8 | Confident | 74.7 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | -123.4 | -168.8 | -179.4 | 57.2 | 0 | 0 | 0 | 111.4 | Y1204 | D1202-Y1204 VanDerWaalsContact C-N 3.32Š|
| 1203 | R | 76.2 | Confident | 74.9 | Confident | 185 Ų | 185 | 61.2 Ų | 61.2 | 70% | 0.698 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.6 | 178.5 | 70 | -158 | -179.8 | -160.5 | -4.2 | 114.3 | F1201 | F1201-R1203 PolarHBondContact O-N 3.38Š|
| 1204 | Y | 74.4 | Confident | 74.6 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.6 | -178.1 | -60.5 | -98.8 | 0 | 0 | 0 | 110.6 | P1105 F1107 M1136 S1200 F1201 D1202 | P1105-Y1204 WeakPolarHBondContact O-CE1 3.31Å; P1105-Y1204 PolarHBondContact O-OH 3.23Å; F1107-Y1204 HydrophobicContact CB-CD1 4.1Å; F1107-Y1204 HydrophobicContact CB-CG 3.98Å; M1136-Y1204 HydrophobicContact CE-CD1 4.47Å; M1136-Y1204 HydrophobicContact CE-CD2 3.67Å; M1136-Y1204 HydrophobicContact CE-CE1 4.4Å; M1136-Y1204 HydrophobicContact CE-CE2 3.61Å; M1136-Y1204 HydrophobicContact CE-CG 4.14Å; M1136-Y1204 HydrophobicContact SD-CD2 4.19Å; M1136-Y1204 HydrophobicContact SD-CE2 3.59Å; M1136-Y1204 VanDerWaalsContact SD-CE2 3.59Å; S1200-Y1204 WeakPolarHBondContact CA-O 2.8Å; F1201-Y1204 PolarHBondContact N-O 2.83Å; F1201-Y1204 WeakPolarHBondContact O-CA 3.5Å; F1201-Y1204 WeakPolarHBondContact O-CB 3.32Å; F1201-Y1204 PolarHBondContact O-N 2.94Å; D1202-Y1204 VanDerWaalsContact C-N 3.32Å |
| 1205 | S | 79.7 | Confident | 73.1 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 118.7 | 179.4 | -76.5 | 0 | 0 | 0 | 0 | 110.7 | V1199 | V1199-S1205 CarbonylContact O-C 3.58Å; V1199-S1205 WeakPolarHBondContact O-CA 3.03Å |
| 1206 | V | 80.9 | Confident | 71.3 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.7 | -171.7 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | F1107 V1199 V1208 | F1107-V1206 HydrophobicContact CD1-CG2 3.8Å; F1107-V1206 HydrophobicContact CE1-CG2 4.33Å; F1107-V1206 WeakPolarHBondContact O-CG2 3.08Å; V1199-V1206 PolarHBondContact N-O 2.67Å; V1199-V1206 PolarHBondContact O-N 3.12Å; V1206-V1208 HydrophobicContact CG1-CG2 4.08Å |
| 1207 | P | 83.2 | Confident | 69.1 | Low | 109 Ų | 109 | 72.9 Ų | 72.9 | 71% | 0.708 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.1 | 172.8 | 30.4 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 1208 | V | 78.8 | Confident | 66.5 | Low | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.2 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | V1109 A1111 F1130 L1197 V1199 V1206 | V1109-V1208 HydrophobicContact CB-CG2 3.89Å; V1109-V1208 HydrophobicContact CG1-CG2 3.89Å; V1109-V1208 WeakPolarHBondContact O-CG2 2.84Å; A1111-V1208 HydrophobicContact CB-CG1 4.39Å; F1130-V1208 HydrophobicContact CD1-CG1 4.3Å; F1130-V1208 HydrophobicContact CE1-CG1 4.22Å; L1197-V1208 PolarHBondContact N-O 3.19Å; L1197-V1208 PolarHBondContact O-N 2.94Å; V1199-V1208 HydrophobicContact CG2-CB 4.13Å; V1199-V1208 HydrophobicContact CG2-CG2 3.61Å; V1206-V1208 HydrophobicContact CG1-CG2 4.08Å |
| 1209 | S | 74.3 | Confident | 63.8 | Low | 56 Ų | 56 | 81.9 Ų | 81.9 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 102 | -179.2 | -81.6 | 0 | 0 | 0 | 0 | 110.4 | A1111 H1211 | A1111-S1209 WeakPolarHBondContact CB-O 3.43Å; S1209-H1211 PolarHBondContact O-N 3.06Å |
| 1210 | L | 74.2 | Confident | 61.3 | Low | 0 Ų | 0 | 90.8 Ų | 90.8 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.1 | -178.2 | -166.4 | 62.6 | 0 | 0 | 0 | 109.8 | I1115 I1125 Q1129 F1130 W1194 I1195 L1197 | I1115-L1210 HydrophobicContact CD1-CD2 3.79Å; I1115-L1210 HydrophobicContact CD1-CG 4.15Å; I1115-L1210 HydrophobicContact CG1-CG 4.41Å; I1125-L1210 HydrophobicContact CD1-CD2 4.32Å; I1125-L1210 HydrophobicContact CG2-CD2 4.31Å; Q1129-L1210 HydrophobicContact CB-CD1 3.97Å; F1130-L1210 HydrophobicContact CE1-CD1 3.97Å; F1130-L1210 HydrophobicContact CE2-CD1 4.46Å; F1130-L1210 HydrophobicContact CZ-CD1 3.86Å; F1130-L1210 HydrophobicContact CZ-CD2 4.31Å; W1194-L1210 WeakPolarHBondContact CA-O 3.14Å; I1195-L1210 HydrophobicContact CB-CB 4.15Å; I1195-L1210 HydrophobicContact CD1-CD2 4.17Å; I1195-L1210 PolarHBondContact N-O 3.06Å; I1195-L1210 PolarHBondContact O-N 3.41Å; L1197-L1210 HydrophobicContact CD1-CB 4.16Å; L1197-L1210 HydrophobicContact CD1-CD2 4.15Å |
| 1211 | H | 68.6 | Low | 59.5 | Low | 90 Ų | 90 | 94.1 Ų | 94.1 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | trans | -75.6 | 140.5 | -174.4 | -71.7 | -74.8 | 0 | 0 | 0 | 112.7 | P1114 I1115 W1194 S1209 | P1114-H1211 CarbonylContact C-O 3.5Å; P1114-H1211 WeakPolarHBondContact CA-O 3.36Å; P1114-H1211 HydrophobicContact CB-CB 3.86Å; P1114-H1211 WeakPolarHBondContact CB-O 3.36Å; I1115-H1211 PolarHBondContact N-O 2.76Å; W1194-H1211 AromaticContact CE3-CE1 3.62Å; W1194-H1211 AromaticContact CE3-ND1 3.64Å; W1194-H1211 AromaticContact CZ3-CE1 3.82Å; W1194-H1211 AromaticContact CZ3-ND1 3.99Å; S1209-H1211 PolarHBondContact O-N 3.06Å | ||
| 1212 | T | 62.9 | Low | 58 | Low | 10 Ų | 10 | 98.4 Ų | 98.4 | 6% | 0.061 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.3 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | M1117 R1193 P1214 | M1117-T1212 HydrophobicContact CG-CG2 3.94Å; M1117-T1212 VanDerWaalsContact SD-CB 3.5Å; M1117-T1212 HydrophobicContact SD-CG2 3.9Å; R1193-T1212 PolarHBondContact N-OG1 2.79Å; R1193-T1212 WeakPolarHBondContact O-CG2 3.28Å; R1193-T1212 PolarHBondContact O-OG1 3.01Å; T1212-P1214 WeakPolarHBondContact O-CD 3.33Å |
| 1213 | K | 52.8 | Low | 57.5 | Low | 137 Ų | 137 | 95.6 Ų | 95.6 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.2 | 176.4 | -89.3 | -176.9 | -178.9 | 159.8 | 0 | 111.7 | P1114 I1115 | P1114-K1213 HydrophobicContact CB-CD 4.29Å; P1114-K1213 HydrophobicContact CB-CG 4.03Å; P1114-K1213 HydrophobicContact CG-CD 3.57Å; P1114-K1213 HydrophobicContact CG-CG 3.89Å; I1115-K1213 PolarHBondContact O-N 3.36Å; I1115-K1213 VanDerWaalsContact O-N 3.14Å |
| 1214 | P | 51.6 | Low | 57.2 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | trans | -71.8 | 164.3 | 159.9 | 31.3 | -33.5 | 0 | 0 | 0 | 110.8 | P1192 T1212 | P1192-P1214 HydrophobicContact CB-CG 4.33Å; T1212-P1214 WeakPolarHBondContact O-CD 3.33Å | ||
| 1215 | K | 35.7 | Very low | 57.1 | Low | 163 Ų | 163 | 89.9 Ų | 89.9 | 71% | 0.709 | 50% | 0.5 | S | S | * | . | trans | -119.8 | 127.9 | -169.4 | -155.1 | 161.9 | -167 | 149.6 | 0 | 110.4 | E1116 | E1116-K1215 IonicContact OE1-NZ 2.73Å; E1116-K1215 PolarHBondContact OE1-NZ 2.86Å | ||
| 1216 | R | 34.6 | Very low | 56.6 | Low | 251 Ų | 251 | 88.5 Ų | 88.5 | 95% | 0.947 | 49% | 0.491 | S | S | * | . | trans | 91.9 | 153.8 | -161.2 | -57.9 | 157 | 177.6 | -175.7 | -1.4 | 111.7 | ||||
| 1217 | G | 29.6 | Very low | 56.1 | Low | 78 Ų | 78 | 87.5 Ų | 87.5 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | cis | 174.6 | 146.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1218 | S | 29.3 | Very low | 55.2 | Low | 116 Ų | 116 | 86.9 Ų | 86.9 | 81% | 0.811 | 47% | 0.473 | S | S | * | . | trans | -106 | 131.5 | -159.4 | 56 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1219 | T | 29.6 | Very low | 54.3 | Low | 126 Ų | 126 | 89 Ų | 89 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | trans | -171 | 132.9 | 147.1 | 33.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1220 | E | 34.1 | Very low | 53.7 | Low | 186 Ų | 186 | 90.3 Ų | 90.3 | 87% | 0.869 | 49% | 0.485 | S | S | * | . | trans | 38.6 | 140.9 | 131.9 | -55.8 | 177.6 | 148.8 | 0 | 0 | 120.9 | ||||
| 1221 | S | 46.1 | Very low | 53.2 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | cis | -154.7 | 77.7 | 18.1 | 63 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1222 | D | 49.3 | Very low | 53.4 | Low | 109 Ų | 109 | 89.7 Ų | 89.7 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | trans | -81.1 | 146.9 | 177.6 | -80.3 | -11.6 | 0 | 0 | 0 | 113.8 | T1332 N1334 | D1222-T1332 WeakPolarHBondContact OD1-CB 3.4Å; D1222-N1334 PolarHBondContact OD2-ND2 2.8Å; D1222-N1334 VanDerWaalsContact OD2-ND2 3.14Å | ||
| 1223 | K | 62.1 | Low | 53.9 | Low | 68 Ų | 68 | 92.2 Ų | 92.2 | 30% | 0.296 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136 | 172.5 | -71.3 | -173.8 | -178.1 | -178.6 | 0 | 111.7 | V1240 K1241 L1333 N1334 | K1223-V1240 PolarHBondContact NZ-O 2.9Å; K1223-K1241 PolarHBondContact NZ-O 2.74Å; K1223-L1333 HydrophobicContact CB-CD2 4.41Å; K1223-N1334 WeakPolarHBondContact O-CA 3.28Å; K1223-N1334 WeakPolarHBondContact O-CB 3.42Å; K1223-N1334 PolarHBondContact O-N 2.96Å |
| 1224 | T | 69.3 | Low | 55.3 | Low | 100 Ų | 100 | 92.3 Ų | 92.3 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.8 | -178 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | N1334 S1336 | T1224-N1334 CarbonylContact C-O 3.12Å; T1224-N1334 VanDerWaalsContact CA-O 3.31Å; T1224-N1334 WeakPolarHBondContact CA-O 3.33Å; T1224-S1336 WeakPolarHBondContact CG2-OG 3.17Å |
| 1225 | I | 72.5 | Confident | 56.7 | Low | 13 Ų | 13 | 88.9 Ų | 88.9 | 7% | 0.067 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.2 | 180 | -56.9 | -176 | 0 | 0 | 0 | 109 | V1227 K1233 L1235 L1333 N1334 I1335 S1336 | I1225-V1227 HydrophobicContact CG2-CG2 4.47Å; I1225-K1233 HydrophobicContact CG2-CD 4.27Å; I1225-K1233 HydrophobicContact CG2-CG 3.88Å; I1225-L1235 HydrophobicContact CD1-CD2 3.69Å; I1225-L1235 HydrophobicContact CG2-CD2 4.49Å; I1225-L1333 HydrophobicContact CD1-CB 4.12Å; I1225-L1333 HydrophobicContact CD1-CD1 4.2Å; I1225-L1333 HydrophobicContact CD1-CD2 4.36Å; I1225-L1333 HydrophobicContact CD1-CG 4.46Å; I1225-N1334 PolarHBondContact N-O 3.37Å; I1225-I1335 CarbonylContact O-C 3.48Å; I1225-I1335 WeakPolarHBondContact O-CA 3.41Å; I1225-S1336 PolarHBondContact O-N 3.33Å; I1225-S1336 PolarHBondContact O-OG 3.07Å |
| 1226 | S | 69.9 | Low | 58.7 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.1 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | K1233 S1336 | S1226-K1233 WeakPolarHBondContact O-CD 3.44Å; S1226-K1233 WeakPolarHBondContact O-CE 3.5Å; S1226-K1233 PolarHBondContact O-NZ 3.1Å; S1226-S1336 WeakPolarHBondContact CA-O 3.42Å |
| 1227 | V | 69.8 | Low | 60.5 | Low | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.5 | 177.8 | -166.5 | 0 | 0 | 0 | 0 | 108 | I1225 K1233 Y1303 H1305 I1335 S1336 V1337 R1338 | I1225-V1227 HydrophobicContact CG2-CG2 4.47Å; V1227-K1233 HydrophobicContact CG1-CB 4.19Å; V1227-K1233 HydrophobicContact CG2-CB 3.77Å; V1227-K1233 HydrophobicContact CG2-CD 4.38Å; V1227-K1233 HydrophobicContact CG2-CG 3.99Å; V1227-Y1303 HydrophobicContact CB-CE1 4.49Å; V1227-Y1303 HydrophobicContact CG1-CD1 4.29Å; V1227-Y1303 HydrophobicContact CG1-CE1 4.21Å; V1227-Y1303 HydrophobicContact CG2-CD1 4.02Å; V1227-Y1303 HydrophobicContact CG2-CE1 4.11Å; V1227-H1305 HydrophobicContact CG1-CB 4.31Å; V1227-I1335 HydrophobicContact CB-CG2 4.31Å; V1227-I1335 HydrophobicContact CG2-CG2 3.66Å; V1227-S1336 PolarHBondContact N-O 3.08Å; V1227-V1337 CarbonylContact O-C 3.39Å; V1227-V1337 WeakPolarHBondContact O-CA 3.24Å; V1227-R1338 PolarHBondContact O-N 3.5Å |
| 1228 | M | 64 | Low | 62.4 | Low | 96 Ų | 96 | 75.8 Ų | 75.8 | 47% | 0.473 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 156.3 | 171.4 | -65.9 | 179 | -65.5 | 0 | 0 | 109.3 | N1230 G1231 M1439 | M1228-N1230 PolarHBondContact O-N 2.87Å; M1228-G1231 WeakPolarHBondContact O-CA 3.08Å; M1228-G1231 PolarHBondContact O-N 3.01Å; M1228-M1439 HydrophobicContact CE-CE 4.45Å; M1228-M1439 HydrophobicContact SD-CE 3.75Å |
| 1229 | E | 60.9 | Low | 64.1 | Low | 52 Ų | 52 | 71.4 Ų | 71.4 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139 | 173 | -156.6 | -167.8 | 158.4 | 0 | 0 | 110.7 | G1231 G1308 V1337 S1340 | E1229-G1231 PolarHBondContact O-N 3.36Å; E1229-G1308 PolarHBondContact OE1-N 2.77Å; E1229-V1337 HydrophobicContact CB-CG1 4.1Å; E1229-S1340 VanDerWaalsContact OE2-CB 3.23Å; E1229-S1340 WeakPolarHBondContact OE2-CB 3.06Å; E1229-S1340 PolarHBondContact OE2-OG 2.79Å |
| 1230 | N | 60.6 | Low | 65.9 | Low | 82 Ų | 82 | 65.5 Ų | 65.5 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 20.5 | -171.2 | -158 | 22.2 | 0 | 0 | 0 | 114.5 | M1228 M1307 | M1228-N1230 PolarHBondContact O-N 2.87Å; N1230-M1307 HydrophobicContact CB-CB 4.49Å |
| 1231 | G | 64.3 | Low | 67 | Low | 13 Ų | 13 | 63.5 Ų | 63.5 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | trans | -95.2 | 153.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1228 E1229 H1305 | M1228-G1231 WeakPolarHBondContact O-CA 3.08Å; M1228-G1231 PolarHBondContact O-N 3.01Å; E1229-G1231 PolarHBondContact O-N 3.36Å; G1231-H1305 PolarHBondContact O-N 2.81Å | ||
| 1232 | V | 71.5 | Confident | 67.5 | Low | 65 Ų | 65 | 60.5 Ų | 60.5 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.8 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | Y1272 H1302 Y1303 V1304 | V1232-Y1272 HydrophobicContact CB-CE1 4.43Å; V1232-Y1272 HydrophobicContact CG1-CD1 4.5Å; V1232-Y1272 HydrophobicContact CG1-CE1 4.16Å; V1232-Y1272 HydrophobicContact CG1-CE2 4.41Å; V1232-Y1272 HydrophobicContact CG2-CE1 4.01Å; V1232-H1302 HydrophobicContact CG1-CB 4.3Å; V1232-Y1303 CarbonylContact C-O 3.53Å; V1232-Y1303 WeakPolarHBondContact CA-O 3.34Å; V1232-V1304 HydrophobicContact CG1-CG2 4.3Å; V1232-V1304 HydrophobicContact CG2-CG1 4.31Å; V1232-V1304 HydrophobicContact CG2-CG2 4.19Å |
| 1233 | K | 75.2 | Confident | 67.9 | Low | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.3 | -178.6 | -174.2 | 70.5 | 174.1 | -150.7 | 0 | 111.1 | I1225 S1226 V1227 L1235 H1302 Y1303 | I1225-K1233 HydrophobicContact CG2-CD 4.27Å; I1225-K1233 HydrophobicContact CG2-CG 3.88Å; S1226-K1233 WeakPolarHBondContact O-CD 3.44Å; S1226-K1233 WeakPolarHBondContact O-CE 3.5Å; S1226-K1233 PolarHBondContact O-NZ 3.1Å; V1227-K1233 HydrophobicContact CG1-CB 4.19Å; V1227-K1233 HydrophobicContact CG2-CB 3.77Å; V1227-K1233 HydrophobicContact CG2-CD 4.38Å; V1227-K1233 HydrophobicContact CG2-CG 3.99Å; K1233-L1235 HydrophobicContact CG-CD2 4.45Å; K1233-H1302 CarbonylContact O-C 3.44Å; K1233-H1302 WeakPolarHBondContact O-CA 3.3Å; K1233-Y1303 HydrophobicContact CB-CD1 4.44Å; K1233-Y1303 PolarHBondContact N-O 2.83Å; K1233-Y1303 PolarHBondContact O-N 2.75Å |
| 1234 | R | 81.4 | Confident | 67.1 | Low | 140 Ų | 140 | 61 Ų | 61 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 136.9 | 169.2 | -53.4 | -172.6 | -168.7 | 167.3 | 4.3 | 110.1 | E1299 | R1234-E1299 WeakPolarHBondContact CD-OE2 3.44Å; R1234-E1299 IonicContact CZ-OE2 3.1Å; R1234-E1299 IonicContact NE-OE2 2.67Å; R1234-E1299 IonicContact NH1-OE2 2.79Å; R1234-E1299 PolarHBondContact NH1-OE2 3.16Å |
| 1235 | L | 81.3 | Confident | 66.2 | Low | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | trans | -104 | 96.5 | 177.8 | -62.2 | -178.7 | 0 | 0 | 0 | 109.4 | I1225 K1233 L1267 L1301 I1315 | I1225-L1235 HydrophobicContact CD1-CD2 3.69Å; I1225-L1235 HydrophobicContact CG2-CD2 4.49Å; K1233-L1235 HydrophobicContact CG-CD2 4.45Å; L1235-L1267 HydrophobicContact CD1-CD2 3.89Å; L1235-L1301 HydrophobicContact CB-CB 4.29Å; L1235-L1301 HydrophobicContact CB-CD2 4.14Å; L1235-L1301 HydrophobicContact CB-CG 4.33Å; L1235-L1301 HydrophobicContact CD1-CD2 3.76Å; L1235-L1301 HydrophobicContact CD1-CG 4.06Å; L1235-L1301 PolarHBondContact N-O 2.89Å; L1235-I1315 HydrophobicContact CD1-CD1 4.2Å | ||
| 1236 | S | 76.4 | Confident | 65.2 | Low | 23 Ų | 23 | 62.1 Ų | 62.1 | 16% | 0.161 | 32% | 0.317 | C | S | . | . | trans | -89.8 | 170.2 | -178.1 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | E1238 S1239 V1240 V1296 | S1236-E1238 PolarHBondContact O-N 2.94Å; S1236-E1238 VanDerWaalsContact O-N 3.16Å; S1236-E1238 PolarHBondContact OG-N 3.18Å; S1236-S1239 PolarHBondContact N-OG 2.81Å; S1236-S1239 WeakPolarHBondContact O-CA 3.29Å; S1236-S1239 VanDerWaalsContact O-CB 3.25Å; S1236-S1239 WeakPolarHBondContact O-CB 3.37Å; S1236-S1239 PolarHBondContact O-N 2.97Å; S1236-S1239 PolarHBondContact OG-N 2.87Å; S1236-S1239 PolarHBondContact OG-OG 2.69Å; S1236-S1239 VanDerWaalsContact OG-OG 3.06Å; S1236-V1240 PolarHBondContact O-N 2.67Å; S1236-V1296 VanDerWaalsContact C-CG1 3.47Å; S1236-V1296 WeakPolarHBondContact O-CG1 2.98Å | ||
| 1237 | A | 73.1 | Confident | 64.2 | Low | 35 Ų | 35 | 63.2 Ų | 63.2 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.8 | -31 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1241 W1293 V1296 | A1237-K1241 WeakPolarHBondContact O-CA 2.82Å; A1237-K1241 PolarHBondContact O-N 2.84Å; A1237-W1293 HydrophobicContact CB-CH2 4.1Å; A1237-W1293 HydrophobicContact CB-CZ2 3.97Å; A1237-V1296 PolarHBondContact N-O 2.76Å |
| 1238 | E | 68.9 | Low | 63 | Low | 159 Ų | 159 | 70.4 Ų | 70.4 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.9 | -31.3 | 173.5 | -58.2 | -168.8 | 125.7 | 0 | 0 | 113.3 | S1236 K1241 | S1236-E1238 PolarHBondContact O-N 2.94Å; S1236-E1238 VanDerWaalsContact O-N 3.16Å; S1236-E1238 PolarHBondContact OG-N 3.18Å; E1238-K1241 WeakPolarHBondContact O-CB 3.11Å |
| 1239 | S | 65.7 | Low | 62.3 | Low | 25 Ų | 25 | 70.7 Ų | 70.7 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 178.6 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | S1236 | S1236-S1239 PolarHBondContact N-OG 2.81Å; S1236-S1239 WeakPolarHBondContact O-CA 3.29Å; S1236-S1239 VanDerWaalsContact O-CB 3.25Å; S1236-S1239 WeakPolarHBondContact O-CB 3.37Å; S1236-S1239 PolarHBondContact O-N 2.97Å; S1236-S1239 PolarHBondContact OG-N 2.87Å; S1236-S1239 PolarHBondContact OG-OG 2.69Å; S1236-S1239 VanDerWaalsContact OG-OG 3.06Å |
| 1240 | V | 66.8 | Low | 61.6 | Low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -93.2 | -41.2 | -177 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | K1223 S1236 L1242 F1256 W1293 V1296 L1331 | K1223-V1240 PolarHBondContact NZ-O 2.9Å; S1236-V1240 PolarHBondContact O-N 2.67Å; V1240-L1242 HydrophobicContact CG1-CG 4.47Å; V1240-L1242 PolarHBondContact O-N 3.13Å; V1240-F1256 HydrophobicContact CG1-CE1 3.85Å; V1240-F1256 HydrophobicContact CG1-CZ 3.99Å; V1240-W1293 HydrophobicContact CG1-CZ3 4.31Å; V1240-V1296 HydrophobicContact CB-CG1 4.04Å; V1240-V1296 HydrophobicContact CG2-CG1 3.61Å; V1240-V1296 HydrophobicContact CG2-CG2 4.34Å; V1240-L1331 HydrophobicContact CG1-CD2 3.89Å |
| 1241 | K | 57.2 | Low | 61.3 | Low | 145 Ų | 145 | 80.1 Ų | 80.1 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | trans | 33.1 | 69.5 | 169.7 | -160.1 | 172.3 | -171.9 | 173.3 | 0 | 115.2 | K1223 A1237 E1238 | K1223-K1241 PolarHBondContact NZ-O 2.74Å; A1237-K1241 WeakPolarHBondContact O-CA 2.82Å; A1237-K1241 PolarHBondContact O-N 2.84Å; E1238-K1241 WeakPolarHBondContact O-CB 3.11Å | ||
| 1242 | L | 58.6 | Low | 60.9 | Low | 28 Ų | 28 | 81 Ų | 81 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | trans | -63.4 | 159 | 175.9 | -68.8 | 175.3 | 0 | 0 | 0 | 112.2 | V1240 L1246 I1254 F1256 W1293 V1319 L1331 | V1240-L1242 HydrophobicContact CG1-CG 4.47Å; V1240-L1242 PolarHBondContact O-N 3.13Å; L1242-L1246 HydrophobicContact CB-CB 4.42Å; L1242-L1246 HydrophobicContact CB-CD1 4.12Å; L1242-L1246 HydrophobicContact CD1-CD1 4.37Å; L1242-L1246 HydrophobicContact CD2-CD1 4.2Å; L1242-L1246 HydrophobicContact CG-CD1 4.47Å; L1242-I1254 HydrophobicContact CD1-CD1 4.04Å; L1242-I1254 HydrophobicContact CD1-CG2 4.2Å; L1242-F1256 HydrophobicContact CD1-CE1 4.48Å; L1242-F1256 HydrophobicContact CD1-CZ 3.96Å; L1242-W1293 HydrophobicContact CD1-CE3 4.07Å; L1242-W1293 HydrophobicContact CD1-CZ3 3.96Å; L1242-W1293 HydrophobicContact CG-CZ3 4.12Å; L1242-V1319 HydrophobicContact CD1-CG1 4.36Å; L1242-V1319 HydrophobicContact CD2-CG1 4.35Å; L1242-L1331 HydrophobicContact CD2-CD2 4.4Å | ||
| 1243 | E | 56.3 | Low | 60.6 | Low | 98 Ų | 98 | 80.5 Ų | 80.5 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | trans | -60.9 | 143.5 | 178.4 | -64.1 | -176.4 | 82.5 | 0 | 0 | 112.3 | Y1245 L1246 R1329 | E1243-Y1245 HydrophobicContact CB-CD1 3.85Å; E1243-Y1245 HydrophobicContact CB-CE1 3.55Å; E1243-Y1245 HydrophobicContact CG-CE1 4.21Å; E1243-Y1245 PolarHBondContact O-N 3.31Å; E1243-Y1245 PolarHBondContact OE2-OH 2.76Å; E1243-Y1245 VanDerWaalsContact OE2-OH 3.12Å; E1243-L1246 PolarHBondContact O-N 3.25Å; E1243-R1329 IonicContact OE2-CZ 3.75Å; E1243-R1329 IonicContact OE2-NH1 2.66Å; E1243-R1329 PolarHBondContact OE2-NH1 2.97Å; E1243-R1329 IonicContact OE2-NH2 3.99Å | ||
| 1244 | S | 46.1 | Very low | 60.4 | Low | 90 Ų | 90 | 78.2 Ų | 78.2 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 6.9 | -167.9 | 58.7 | 0 | 0 | 0 | 0 | 116.4 | K1248 | S1244-K1248 WeakPolarHBondContact O-CD 3.41Å; S1244-K1248 WeakPolarHBondContact O-CE 3.3Å; S1244-K1248 WeakPolarHBondContact O-CG 3.09Å |
| 1245 | Y | 50.4 | Low | 60.3 | Low | 108 Ų | 108 | 75.8 Ų | 75.8 | 42% | 0.424 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23.2 | 169.3 | 67.6 | -100.1 | 0 | 0 | 0 | 112.6 | E1243 F1326 R1329 | E1243-Y1245 HydrophobicContact CB-CD1 3.85Å; E1243-Y1245 HydrophobicContact CB-CE1 3.55Å; E1243-Y1245 HydrophobicContact CG-CE1 4.21Å; E1243-Y1245 PolarHBondContact O-N 3.31Å; E1243-Y1245 PolarHBondContact OE2-OH 2.76Å; E1243-Y1245 VanDerWaalsContact OE2-OH 3.12Å; Y1245-F1326 HydrophobicContact CE2-CD2 4.45Å; Y1245-F1326 AromaticContact CE2-CE2 3.72Å; Y1245-F1326 HydrophobicContact CE2-CE2 3.72Å; Y1245-F1326 HydrophobicContact CE2-CZ 4.3Å; Y1245-F1326 WeakPolarHBondContact OH-CE2 3.37Å; Y1245-R1329 PolarHBondContact OH-NH1 3.05Å; Y1245-R1329 PolarHBondContact OH-NH2 3.03Å; Y1245-R1329 VanDerWaalsContact OH-NH2 3.09Å |
| 1246 | L | 50.4 | Low | 60.4 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -31.8 | 177.3 | -71.8 | 169 | 0 | 0 | 0 | 112.3 | L1242 E1243 F1326 | L1242-L1246 HydrophobicContact CB-CB 4.42Å; L1242-L1246 HydrophobicContact CB-CD1 4.12Å; L1242-L1246 HydrophobicContact CD1-CD1 4.37Å; L1242-L1246 HydrophobicContact CD2-CD1 4.2Å; L1242-L1246 HydrophobicContact CG-CD1 4.47Å; E1243-L1246 PolarHBondContact O-N 3.25Å; L1246-F1326 HydrophobicContact CD1-CE1 4.2Å; L1246-F1326 HydrophobicContact CD1-CZ 4.02Å; L1246-F1326 HydrophobicContact CD2-CD1 4.13Å; L1246-F1326 HydrophobicContact CD2-CD2 4.16Å; L1246-F1326 HydrophobicContact CD2-CE1 3.92Å; L1246-F1326 HydrophobicContact CD2-CE2 3.99Å; L1246-F1326 HydrophobicContact CD2-CG 4.23Å; L1246-F1326 HydrophobicContact CD2-CZ 3.84Å; L1246-F1326 HydrophobicContact CG-CZ 4.38Å |
| 1247 | T | 48.7 | Very low | 60.7 | Low | 67 Ų | 67 | 80.8 Ų | 80.8 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -90.9 | -0.4 | -175.5 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | W1293 | T1247-W1293 HydrophobicContact CG2-CZ2 4.37Š|
| 1248 | K | 45.3 | Very low | 61.2 | Low | 159 Ų | 159 | 79.8 Ų | 79.8 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -84.4 | -18.7 | -176.5 | -84.1 | -177 | 176.8 | -176.9 | 0 | 115.4 | S1244 L1250 | S1244-K1248 WeakPolarHBondContact O-CD 3.41Å; S1244-K1248 WeakPolarHBondContact O-CE 3.3Å; S1244-K1248 WeakPolarHBondContact O-CG 3.09Å; K1248-L1250 PolarHBondContact O-N 2.88Å |
| 1249 | N | 50 | Low | 61.8 | Low | 101 Ų | 101 | 76.2 Ų | 76.2 | 54% | 0.54 | 39% | 0.393 | S | S | . | . | trans | -92.6 | 91.4 | 178.1 | -85 | -5.8 | 0 | 0 | 0 | 111.1 | N1251 C1252 | N1249-N1251 PolarHBondContact O-N 2.88Å; N1249-C1252 HydrophobicContact CB-CB 4.28Å; N1249-C1252 WeakPolarHBondContact O-CB 3.01Å; N1249-C1252 PolarHBondContact O-N 2.83Å | ||
| 1250 | L | 46.2 | Very low | 62.2 | Low | 171 Ų | 171 | 75.8 Ų | 75.8 | 90% | 0.895 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -4.2 | -175.8 | -76.6 | 148.4 | 0 | 0 | 0 | 116.4 | K1248 | K1248-L1250 PolarHBondContact O-N 2.88Š|
| 1251 | N | 53.6 | Low | 62.9 | Low | 162 Ų | 162 | 82.9 Ų | 82.9 | 87% | 0.866 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 12.4 | -179.8 | -76.6 | -3.6 | 0 | 0 | 0 | 114 | N1249 | N1249-N1251 PolarHBondContact O-N 2.88Š|
| 1252 | C | 57 | Low | 64.1 | Low | 32 Ų | 32 | 76.9 Ų | 76.9 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | trans | -126.5 | 115 | -160.9 | -65.4 | 0 | 0 | 0 | 0 | 113.8 | N1249 I1254 C1323 | N1249-C1252 HydrophobicContact CB-CB 4.28Å; N1249-C1252 WeakPolarHBondContact O-CB 3.01Å; N1249-C1252 PolarHBondContact O-N 2.83Å; C1252-I1254 PolarHBondContact O-N 2.88Å; C1252-C1323 VanDerWaalsContact CA-SG 3.57Å; C1252-C1323 HydrophobicContact CB-CB 3.64Å; C1252-C1323 WeakPolarHBondContact CB-SG 3.25Å; C1252-C1323 WeakPolarHBondContact SG-CB 3.32Å; C1252-C1323 CovalentContact SG-SG 2.02Å; C1252-C1323 PolarHBondContact SG-SG 2.78Å | ||
| 1253 | S | 64.1 | Low | 65 | Low | 54 Ų | 54 | 83.4 Ų | 83.4 | 38% | 0.378 | 43% | 0.425 | S | S | . | . | trans | -72.7 | 121.5 | 176.1 | 54 | 0 | 0 | 0 | 0 | 111.5 | H1255 | S1253-H1255 WeakPolarHBondContact CB-NE2 3.42Å; S1253-H1255 PolarHBondContact O-CD2 2.93Å; S1253-H1255 PolarHBondContact OG-NE2 2.89Å | ||
| 1254 | I | 71.6 | Confident | 65.9 | Low | 13 Ų | 13 | 80.4 Ų | 80.4 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.7 | 170.7 | -56.4 | 171.8 | 0 | 0 | 0 | 107.5 | L1242 C1252 F1256 W1293 V1319 S1320 | L1242-I1254 HydrophobicContact CD1-CD1 4.04Å; L1242-I1254 HydrophobicContact CD1-CG2 4.2Å; C1252-I1254 PolarHBondContact O-N 2.88Å; I1254-F1256 HydrophobicContact CG2-CE2 3.9Å; I1254-F1256 HydrophobicContact CG2-CZ 4.05Å; I1254-W1293 HydrophobicContact CB-CB 4.15Å; I1254-W1293 PolarHBondContact O-N 2.87Å; I1254-W1293 VanDerWaalsContact O-N 3.08Å; I1254-V1319 HydrophobicContact CG2-CG1 3.83Å; I1254-S1320 WeakPolarHBondContact CA-O 3.27Å |
| 1255 | H | 78.6 | Confident | 67.3 | Low | 89 Ų | 89 | 76.6 Ų | 76.6 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.9 | -177.7 | -66.8 | -92.3 | 0 | 0 | 0 | 110.2 | S1253 S1320 | S1253-H1255 WeakPolarHBondContact CB-NE2 3.42Å; S1253-H1255 PolarHBondContact O-CD2 2.93Å; S1253-H1255 PolarHBondContact OG-NE2 2.89Å; H1255-S1320 PolarHBondContact N-O 2.84Å; H1255-S1320 PolarHBondContact O-N 3.43Å; H1255-S1320 PolarHBondContact O-OG 3.29Å; H1255-S1320 VanDerWaalsContact O-OG 3.07Å |
| 1256 | F | 83.1 | Confident | 68.7 | Low | 1 Ų | 1 | 72.6 Ų | 72.6 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.9 | 176.1 | -60.9 | -95.8 | 0 | 0 | 0 | 108.8 | V1240 L1242 I1254 S1290 F1291 W1293 L1317 N1318 V1319 L1331 | V1240-F1256 HydrophobicContact CG1-CE1 3.85Å; V1240-F1256 HydrophobicContact CG1-CZ 3.99Å; L1242-F1256 HydrophobicContact CD1-CE1 4.48Å; L1242-F1256 HydrophobicContact CD1-CZ 3.96Å; I1254-F1256 HydrophobicContact CG2-CE2 3.9Å; I1254-F1256 HydrophobicContact CG2-CZ 4.05Å; F1256-S1290 CarbonylContact O-C 3.33Å; F1256-S1290 WeakPolarHBondContact O-CA 2.94Å; F1256-S1290 WeakPolarHBondContact O-CB 2.84Å; F1256-F1291 HydrophobicContact CB-CD1 4.33Å; F1256-F1291 HydrophobicContact CB-CD2 3.73Å; F1256-F1291 HydrophobicContact CB-CE1 4.08Å; F1256-F1291 HydrophobicContact CB-CE2 3.43Å; F1256-F1291 VanDerWaalsContact CB-CE2 3.43Å; F1256-F1291 HydrophobicContact CB-CG 4.18Å; F1256-F1291 HydrophobicContact CB-CZ 3.63Å; F1256-F1291 HydrophobicContact CD1-CE2 4.01Å; F1256-F1291 HydrophobicContact CD1-CZ 4.31Å; F1256-F1291 AromaticContact CD2-CD2 3.78Å; F1256-F1291 HydrophobicContact CD2-CD2 3.78Å; F1256-F1291 AromaticContact CD2-CE2 3.6Å; F1256-F1291 HydrophobicContact CD2-CE2 3.6Å; F1256-F1291 HydrophobicContact CE2-CE2 4.35Å; F1256-F1291 AromaticContact CG-CD2 3.92Å; F1256-F1291 HydrophobicContact CG-CD2 3.92Å; F1256-F1291 AromaticContact CG-CE2 3.41Å; F1256-F1291 HydrophobicContact CG-CE2 3.41Å; F1256-F1291 VanDerWaalsContact CG-CE2 3.41Å; F1256-F1291 AromaticContact CG-CZ 3.95Å; F1256-F1291 HydrophobicContact CG-CZ 3.95Å; F1256-F1291 PolarHBondContact N-O 3.38Å; F1256-F1291 PolarHBondContact O-N 3.23Å; F1256-W1293 HydrophobicContact CE2-CB 4.28Å; F1256-W1293 HydrophobicContact CE2-CE3 4.12Å; F1256-W1293 AromaticContact CZ-CE3 3.93Å; F1256-W1293 HydrophobicContact CZ-CE3 3.93Å; F1256-W1293 HydrophobicContact CZ-CZ3 4.45Å; F1256-L1317 HydrophobicContact CD1-CB 4.41Å; F1256-L1317 HydrophobicContact CD1-CD1 4.12Å; F1256-N1318 WeakPolarHBondContact CA-O 3.41Å; F1256-V1319 HydrophobicContact CD1-CG1 4.47Å; F1256-V1319 HydrophobicContact CD1-CG2 3.88Å; F1256-V1319 HydrophobicContact CE1-CG1 4.11Å; F1256-V1319 HydrophobicContact CE1-CG2 3.84Å; F1256-L1331 HydrophobicContact CE1-CD2 4.47Å |
| 1257 | K | 83.2 | Confident | 70.3 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.7 | 171 | -178.6 | 177.3 | -179.7 | 179.2 | 0 | 109.1 | V1259 L1317 N1318 | K1257-V1259 PolarHBondContact O-N 3.01Å; K1257-L1317 CarbonylContact O-C 3.51Å; K1257-L1317 WeakPolarHBondContact O-CA 3.24Å; K1257-N1318 HydrophobicContact CB-CB 4.45Å; K1257-N1318 PolarHBondContact N-O 2.95Å; K1257-N1318 PolarHBondContact O-N 2.98Å |
| 1258 | V | 83.6 | Confident | 71.5 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125.2 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | G1260 R1261 L1267 V1288 D1289 F1291 L1317 | V1258-G1260 WeakPolarHBondContact CG1-O 3.18Å; V1258-R1261 HydrophobicContact CG1-CG 3.87Å; V1258-L1267 HydrophobicContact CG2-CD1 4.15Å; V1258-V1288 WeakPolarHBondContact CG2-O 2.92Å; V1258-D1289 PolarHBondContact N-O 3.15Å; V1258-F1291 HydrophobicContact CG2-CE1 4.34Å; V1258-L1317 HydrophobicContact CG2-CD2 4Å |
| 1259 | V | 82.3 | Confident | 73 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -38.8 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 111 | K1257 I1316 N1318 | K1257-V1259 PolarHBondContact O-N 3.01Å; V1259-I1316 PolarHBondContact N-O 3.22Å; V1259-N1318 HydrophobicContact CG2-CB 3.62Å |
| 1260 | G | 73.7 | Confident | 73.7 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V1258 I1316 | V1258-G1260 WeakPolarHBondContact CG1-O 3.18Å; G1260-I1316 PolarHBondContact N-O 2.86Å; G1260-I1316 PolarHBondContact O-N 2.85Å |
| 1261 | R | 80 | Confident | 74.2 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 56% | 0.562 | 34% | 0.336 | S | S | * | . | trans | -84 | 151.7 | 174.2 | -71.1 | 177.6 | 174 | 174.2 | -3.8 | 109.3 | V1258 D1289 | V1258-R1261 HydrophobicContact CG1-CG 3.87Å; R1261-D1289 IonicContact CZ-OD1 3.46Å; R1261-D1289 IonicContact NE-OD1 3.13Å; R1261-D1289 IonicContact NH2-OD1 2.63Å; R1261-D1289 PolarHBondContact NH2-OD1 2.98Å; R1261-D1289 IonicContact NH2-OD2 3.25Å | ||
| 1262 | P | 83.3 | Confident | 74 | Confident | 20 Ų | 20 | 63 Ų | 63 | 13% | 0.13 | 31% | 0.314 | C | S | . | . | trans | -56.4 | 137.6 | 169.2 | 23 | -32.1 | 0 | 0 | 0 | 111.1 | G1265 Y1303 D1313 A1314 | P1262-G1265 WeakPolarHBondContact CG-O 2.95Å; P1262-Y1303 HydrophobicContact CB-CE2 3.86Å; P1262-Y1303 HydrophobicContact CG-CE2 4.34Å; P1262-D1313 WeakPolarHBondContact CA-OD1 3.37Å; P1262-D1313 WeakPolarHBondContact CB-OD1 2.95Å; P1262-D1313 WeakPolarHBondContact CB-OD2 3.21Å; P1262-A1314 WeakPolarHBondContact CA-O 3.11Å | ||
| 1263 | E | 78.1 | Confident | 73.1 | Confident | 164 Ų | 164 | 64.8 Ų | 64.8 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -86.9 | -34.8 | 175.1 | -62.6 | -171.7 | 156.1 | 0 | 0 | 110.6 | D1313 | E1263-D1313 PolarHBondContact N-OD1 2.88Š|
| 1264 | N | 74.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -109.1 | 19.8 | -172.2 | -66.1 | -51.2 | 0 | 0 | 0 | 113.1 | H1305 R1306 A1309 G1310 M1312 D1313 | N1264-H1305 PolarHBondContact O-CE1 3.08Å; N1264-H1305 PolarHBondContact O-ND1 2.9Å; N1264-H1305 VanDerWaalsContact O-ND1 3.11Å; N1264-R1306 PolarHBondContact O-N 3.18Å; N1264-A1309 HydrophobicContact CB-CB 3.58Å; N1264-A1309 WeakPolarHBondContact OD1-CB 2.98Å; N1264-G1310 PolarHBondContact OD1-N 2.84Å; N1264-M1312 PolarHBondContact ND2-O 2.97Å; N1264-D1313 WeakPolarHBondContact CA-OD2 3.26Å; N1264-D1313 HydrophobicContact CB-CB 3.97Å; N1264-D1313 VanDerWaalsContact N-CG 3.34Å; N1264-D1313 PolarHBondContact N-OD1 3.01Å; N1264-D1313 PolarHBondContact N-OD2 3.23Å |
| 1265 | G | 75.8 | Confident | 70.1 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | -165.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1262 V1304 D1313 | P1262-G1265 WeakPolarHBondContact CG-O 2.95Å; G1265-V1304 CarbonylContact C-O 3.47Å; G1265-V1304 WeakPolarHBondContact CA-O 3.15Å; G1265-D1313 PolarHBondContact N-OD2 3.13Å; G1265-D1313 VanDerWaalsContact N-OD2 3.09Å |
| 1266 | S | 79.1 | Confident | 68.2 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.9 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | Y1303 V1304 | S1266-Y1303 WeakPolarHBondContact O-CA 3.45Å; S1266-Y1303 WeakPolarHBondContact O-CD2 3.23Å; S1266-V1304 PolarHBondContact N-O 2.81Å; S1266-V1304 PolarHBondContact O-N 2.94Å |
| 1267 | L | 83.2 | Confident | 66 | Low | 10 Ų | 10 | 88.9 Ų | 88.9 | 5% | 0.052 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.1 | 176.6 | -81.9 | 171.9 | 0 | 0 | 0 | 110.5 | L1235 V1258 V1288 L1301 H1302 I1315 | L1235-L1267 HydrophobicContact CD1-CD2 3.89Å; V1258-L1267 HydrophobicContact CG2-CD1 4.15Å; L1267-V1288 HydrophobicContact CB-CB 4.24Å; L1267-V1288 WeakPolarHBondContact O-CG2 3.35Å; L1267-L1301 HydrophobicContact CD2-CD1 4.32Å; L1267-L1301 HydrophobicContact CD2-CG 4.35Å; L1267-H1302 WeakPolarHBondContact CA-O 3.38Å; L1267-I1315 HydrophobicContact CD1-CD1 4.22Å; L1267-I1315 HydrophobicContact CD1-CG1 4.35Å; L1267-I1315 HydrophobicContact CD1-CG2 3.88Å; L1267-I1315 HydrophobicContact CD2-CD1 3.87Å; L1267-I1315 HydrophobicContact CG-CD1 4.24Å |
| 1268 | A | 74.8 | Confident | 63.8 | Low | 13 Ų | 13 | 86.2 Ų | 86.2 | 11% | 0.107 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1302 | A1268-H1302 PolarHBondContact N-O 2.75Å; A1268-H1302 PolarHBondContact O-N 3.24Å |
| 1269 | L | 76.1 | Confident | 61.8 | Low | 86 Ų | 86 | 90.3 Ų | 90.3 | 45% | 0.45 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.1 | 178.2 | -164.4 | 78.7 | 0 | 0 | 0 | 109.5 | V1288 D1295 R1300 L1301 | L1269-V1288 HydrophobicContact CB-CG2 3.85Å; L1269-D1295 HydrophobicContact CD1-CB 4.08Å; L1269-R1300 CarbonylContact C-O 3.47Å; L1269-R1300 WeakPolarHBondContact CA-O 3.45Å; L1269-R1300 HydrophobicContact CD1-CB 4.09Å; L1269-L1301 HydrophobicContact CD1-CB 4.41Å; L1269-L1301 HydrophobicContact CD1-CD1 3.99Å |
| 1270 | G | 66.2 | Low | 60 | Low | 33 Ų | 33 | 90.2 Ų | 90.2 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 172.6 | -154.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1300 | G1270-R1300 PolarHBondContact N-O 2.61Š|
| 1271 | R | 56 | Low | 58.3 | Low | 242 Ų | 242 | 97.1 Ų | 97.1 | 91% | 0.913 | 49% | 0.491 | S | S | * | . | trans | -127.9 | 103.3 | 173.8 | -77.5 | -177.2 | 170.6 | 179 | -2.3 | 109.6 | A1273 | R1271-A1273 PolarHBondContact O-N 2.9Š| ||
| 1272 | Y | 49.9 | Very low | 56.4 | Low | 100 Ų | 100 | 92 Ų | 92 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | trans | -72.5 | 109.2 | 177.4 | -118 | -110.7 | 0 | 0 | 0 | 112.2 | V1232 M1283 H1302 | V1232-Y1272 HydrophobicContact CB-CE1 4.43Å; V1232-Y1272 HydrophobicContact CG1-CD1 4.5Å; V1232-Y1272 HydrophobicContact CG1-CE1 4.16Å; V1232-Y1272 HydrophobicContact CG1-CE2 4.41Å; V1232-Y1272 HydrophobicContact CG2-CE1 4.01Å; Y1272-M1283 HydrophobicContact CE2-CE 4.45Å; Y1272-M1283 HydrophobicContact CE2-SD 4.3Å; Y1272-M1283 PolarHBondContact OH-SD 2.84Å; Y1272-H1302 AromaticContact CD2-CD2 3.47Å; Y1272-H1302 VanDerWaalsContact CD2-CD2 3.47Å; Y1272-H1302 WeakPolarHBondContact CD2-CD2 3.19Å; Y1272-H1302 AromaticContact CD2-NE2 3.96Å | ||
| 1273 | A | 37.5 | Very low | 54.8 | Low | 71 Ų | 71 | 94 Ų | 94 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | trans | -153.2 | 131.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1271 | R1271-A1273 PolarHBondContact O-N 2.9Š| ||
| 1274 | K | 36.4 | Very low | 53.2 | Low | 207 Ų | 207 | 90.5 Ų | 90.5 | 90% | 0.9 | 48% | 0.479 | S | S | * | . | trans | 54.2 | 68.3 | 164.6 | -61.2 | -174.5 | 174.3 | -174.7 | 0 | 118 | ||||
| 1275 | F | 36.1 | Very low | 51.9 | Low | 176 Ų | 176 | 99.1 Ų | 99.1 | 77% | 0.772 | 51% | 0.509 | S | S | * | . | trans | -131.5 | 152.8 | 161.6 | -78.4 | -85.5 | 0 | 0 | 0 | 112.2 | D1279 | F1275-D1279 WeakPolarHBondContact CD1-OD2 3.36Š| ||
| 1276 | Q | 38.3 | Very low | 50.9 | Low | 172 Ų | 172 | 104.8 Ų | 104.8 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | trans | -92.8 | 168.8 | 177.7 | -72 | 176.3 | -39.1 | 0 | 0 | 110.4 | A1278 | Q1276-A1278 PolarHBondContact O-N 3.05Š| ||
| 1277 | T | 37.1 | Very low | 50 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 66% | 0.656 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -6.3 | -163.8 | 38.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1278 | A | 36.7 | Very low | 49.4 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -34.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1276 I1280 | Q1276-A1278 PolarHBondContact O-N 3.05Å; A1278-I1280 PolarHBondContact O-N 3.37Å |
| 1279 | D | 43 | Very low | 49.6 | Very low | 98 Ų | 98 | 114 Ų | 114 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -83.1 | -10.3 | -168.2 | -64.2 | -52.9 | 0 | 0 | 0 | 114.6 | F1275 I1281 G1282 | F1275-D1279 WeakPolarHBondContact CD1-OD2 3.36Å; D1279-I1281 PolarHBondContact O-N 2.87Å; D1279-G1282 PolarHBondContact O-N 3.39Å; D1279-G1282 VanDerWaalsContact O-N 3.12Å |
| 1280 | I | 43.4 | Very low | 49.9 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 43% | 0.431 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -62.2 | -29.6 | -173.8 | -58.9 | 176.2 | 0 | 0 | 0 | 111.5 | A1278 G1282 M1283 | A1278-I1280 PolarHBondContact O-N 3.37Å; I1280-G1282 PolarHBondContact O-N 2.88Å; I1280-G1282 VanDerWaalsContact O-N 3.08Å; I1280-M1283 PolarHBondContact O-N 2.97Å |
| 1281 | I | 39.1 | Very low | 50.8 | Low | 161 Ų | 161 | 112.8 Ų | 112.8 | 83% | 0.826 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -65.3 | -11.2 | -179.6 | -57.4 | 173.5 | 0 | 0 | 0 | 112.3 | D1279 | D1279-I1281 PolarHBondContact O-N 2.87Š|
| 1282 | G | 39.7 | Very low | 52.1 | Low | 41 Ų | 41 | 103 Ų | 103 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -98.7 | -6.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | D1279 I1280 D1284 | D1279-G1282 PolarHBondContact O-N 3.39Å; D1279-G1282 VanDerWaalsContact O-N 3.12Å; I1280-G1282 PolarHBondContact O-N 2.88Å; I1280-G1282 VanDerWaalsContact O-N 3.08Å; G1282-D1284 PolarHBondContact O-N 2.8Å |
| 1283 | M | 48.6 | Very low | 53.7 | Low | 62 Ų | 62 | 100.3 Ų | 100.3 | 31% | 0.305 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -82.3 | -5.9 | -160.8 | -63.4 | -146.7 | 81.1 | 0 | 0 | 117.3 | Y1272 I1280 R1285 F1286 | Y1272-M1283 HydrophobicContact CE2-CE 4.45Å; Y1272-M1283 HydrophobicContact CE2-SD 4.3Å; Y1272-M1283 PolarHBondContact OH-SD 2.84Å; I1280-M1283 PolarHBondContact O-N 2.97Å; M1283-R1285 PolarHBondContact O-N 2.81Å; M1283-F1286 HydrophobicContact CE-CD2 4.44Å |
| 1284 | D | 46 | Very low | 55.6 | Low | 90 Ų | 90 | 100.8 Ų | 100.8 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -59.7 | -4.5 | 177.4 | -86.9 | -45.8 | 0 | 0 | 0 | 115.1 | G1282 H1287 R1306 | G1282-D1284 PolarHBondContact O-N 2.8Å; D1284-H1287 PolarHBondContact O-CE1 2.89Å; D1284-R1306 IonicContact OD1-CZ 2.71Å; D1284-R1306 IonicContact OD1-NH2 2.76Å; D1284-R1306 PolarHBondContact OD1-NH2 3.12Å; D1284-R1306 IonicContact OD2-NH2 3.01Å |
| 1285 | R | 47 | Very low | 57.8 | Low | 218 Ų | 218 | 91.4 Ų | 91.4 | 82% | 0.823 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -88.9 | -5.3 | -173.3 | -58.4 | -175.5 | -175.6 | -169.5 | 1.9 | 115.5 | M1283 | M1283-R1285 PolarHBondContact O-N 2.81Š|
| 1286 | F | 53.7 | Low | 59.8 | Low | 129 Ų | 129 | 83 Ų | 83 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | trans | -106.3 | 110.4 | -179.7 | -66.3 | -80.7 | 0 | 0 | 0 | 110.5 | M1283 | M1283-F1286 HydrophobicContact CE-CD2 4.44Š| ||
| 1287 | H | 60.2 | Low | 61.6 | Low | 136 Ų | 136 | 79.8 Ų | 79.8 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | trans | -105.7 | 137.8 | 176.6 | -58.4 | -31.9 | 0 | 0 | 0 | 110.7 | D1284 | D1284-H1287 PolarHBondContact O-CE1 2.89Š| ||
| 1288 | V | 72.1 | Confident | 63.5 | Low | 18 Ų | 18 | 79.7 Ų | 79.7 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | trans | -120.7 | 105.1 | 177 | 179.1 | 0 | 0 | 0 | 0 | 109 | V1258 L1267 L1269 F1291 L1301 | V1258-V1288 WeakPolarHBondContact CG2-O 2.92Å; L1267-V1288 HydrophobicContact CB-CB 4.24Å; L1267-V1288 WeakPolarHBondContact O-CG2 3.35Å; L1269-V1288 HydrophobicContact CB-CG2 3.85Å; V1288-F1291 HydrophobicContact CG1-CD1 4.14Å; V1288-L1301 HydrophobicContact CG1-CD1 4.19Å | ||
| 1289 | D | 78.1 | Confident | 65.2 | Low | 86 Ų | 86 | 80.1 Ų | 80.1 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -90.4 | -20.6 | 179.5 | -68.8 | -48.1 | 0 | 0 | 0 | 113.6 | V1258 R1261 | V1258-D1289 PolarHBondContact N-O 3.15Å; R1261-D1289 IonicContact CZ-OD1 3.46Å; R1261-D1289 IonicContact NE-OD1 3.13Å; R1261-D1289 IonicContact NH2-OD1 2.63Å; R1261-D1289 PolarHBondContact NH2-OD1 2.98Å; R1261-D1289 IonicContact NH2-OD2 3.25Å |
| 1290 | S | 83.2 | Confident | 66.8 | Low | 83 Ų | 83 | 79.3 Ų | 79.3 | 58% | 0.58 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 151.6 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | F1256 | F1256-S1290 CarbonylContact O-C 3.33Å; F1256-S1290 WeakPolarHBondContact O-CA 2.94Å; F1256-S1290 WeakPolarHBondContact O-CB 2.84Å |
| 1291 | F | 84.5 | Confident | 68.8 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 169.3 | 174.3 | 57.2 | -92.8 | 0 | 0 | 0 | 111.4 | F1256 V1258 V1288 D1295 V1296 L1301 L1317 | F1256-F1291 HydrophobicContact CB-CD1 4.33Å; F1256-F1291 HydrophobicContact CB-CD2 3.73Å; F1256-F1291 HydrophobicContact CB-CE1 4.08Å; F1256-F1291 HydrophobicContact CB-CE2 3.43Å; F1256-F1291 VanDerWaalsContact CB-CE2 3.43Å; F1256-F1291 HydrophobicContact CB-CG 4.18Å; F1256-F1291 HydrophobicContact CB-CZ 3.63Å; F1256-F1291 HydrophobicContact CD1-CE2 4.01Å; F1256-F1291 HydrophobicContact CD1-CZ 4.31Å; F1256-F1291 AromaticContact CD2-CD2 3.78Å; F1256-F1291 HydrophobicContact CD2-CD2 3.78Å; F1256-F1291 AromaticContact CD2-CE2 3.6Å; F1256-F1291 HydrophobicContact CD2-CE2 3.6Å; F1256-F1291 HydrophobicContact CE2-CE2 4.35Å; F1256-F1291 AromaticContact CG-CD2 3.92Å; F1256-F1291 HydrophobicContact CG-CD2 3.92Å; F1256-F1291 AromaticContact CG-CE2 3.41Å; F1256-F1291 HydrophobicContact CG-CE2 3.41Å; F1256-F1291 VanDerWaalsContact CG-CE2 3.41Å; F1256-F1291 AromaticContact CG-CZ 3.95Å; F1256-F1291 HydrophobicContact CG-CZ 3.95Å; F1256-F1291 PolarHBondContact N-O 3.38Å; F1256-F1291 PolarHBondContact O-N 3.23Å; V1258-F1291 HydrophobicContact CG2-CE1 4.34Å; V1288-F1291 HydrophobicContact CG1-CD1 4.14Å; F1291-D1295 HydrophobicContact CB-CB 4.16Å; F1291-V1296 HydrophobicContact CD2-CG2 3.73Å; F1291-V1296 HydrophobicContact CE2-CG2 3.52Å; F1291-L1301 HydrophobicContact CD1-CD1 4.06Å; F1291-L1301 HydrophobicContact CD1-CD2 3.9Å; F1291-L1301 HydrophobicContact CD2-CD2 4.01Å; F1291-L1301 HydrophobicContact CE1-CD1 4.39Å; F1291-L1301 HydrophobicContact CE1-CD2 3.59Å; F1291-L1301 HydrophobicContact CE2-CD2 3.71Å; F1291-L1301 HydrophobicContact CG-CD1 4.38Å; F1291-L1301 HydrophobicContact CG-CD2 4.1Å; F1291-L1301 HydrophobicContact CZ-CD2 3.48Å; F1291-L1301 VanDerWaalsContact CZ-CD2 3.48Å; F1291-L1317 HydrophobicContact CE1-CD2 3.68Å; F1291-L1317 HydrophobicContact CZ-CD1 3.78Å; F1291-L1317 HydrophobicContact CZ-CD2 3.69Å; F1291-L1317 HydrophobicContact CZ-CG 4.39Å |
| 1292 | T | 83.9 | Confident | 70.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 165.6 | -178.7 | 68 | 0 | 0 | 0 | 0 | 111.9 | H1294 D1295 | T1292-H1294 PolarHBondContact O-N 2.93Å; T1292-H1294 PolarHBondContact OG1-N 2.83Å; T1292-D1295 WeakPolarHBondContact CB-OD2 3.07Å; T1292-D1295 PolarHBondContact N-OD2 2.97Å; T1292-D1295 WeakPolarHBondContact O-CB 3.2Å; T1292-D1295 PolarHBondContact O-N 2.93Å; T1292-D1295 VanDerWaalsContact O-N 3.11Å; T1292-D1295 PolarHBondContact OG1-N 3.26Å; T1292-D1295 PolarHBondContact OG1-OD2 3.21Å |
| 1293 | W | 82.3 | Confident | 73 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 17% | 0.17 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.8 | -37.3 | 168.1 | -179 | -98.1 | 0 | 0 | 0 | 112.7 | A1237 V1240 L1242 T1247 I1254 F1256 D1295 V1296 E1297 | A1237-W1293 HydrophobicContact CB-CH2 4.1Å; A1237-W1293 HydrophobicContact CB-CZ2 3.97Å; V1240-W1293 HydrophobicContact CG1-CZ3 4.31Å; L1242-W1293 HydrophobicContact CD1-CE3 4.07Å; L1242-W1293 HydrophobicContact CD1-CZ3 3.96Å; L1242-W1293 HydrophobicContact CG-CZ3 4.12Å; T1247-W1293 HydrophobicContact CG2-CZ2 4.37Å; I1254-W1293 HydrophobicContact CB-CB 4.15Å; I1254-W1293 PolarHBondContact O-N 2.87Å; I1254-W1293 VanDerWaalsContact O-N 3.08Å; F1256-W1293 HydrophobicContact CE2-CB 4.28Å; F1256-W1293 HydrophobicContact CE2-CE3 4.12Å; F1256-W1293 AromaticContact CZ-CE3 3.93Å; F1256-W1293 HydrophobicContact CZ-CE3 3.93Å; F1256-W1293 HydrophobicContact CZ-CZ3 4.45Å; W1293-D1295 VanDerWaalsContact C-N 3.26Å; W1293-D1295 PolarHBondContact O-N 3.48Å; W1293-V1296 PolarHBondContact O-N 3.49Å; W1293-V1296 VanDerWaalsContact O-N 3.11Å; W1293-E1297 PolarHBondContact NE1-OE1 2.93Å; W1293-E1297 VanDerWaalsContact O-CB 3.26Å; W1293-E1297 WeakPolarHBondContact O-CB 3.09Å; W1293-E1297 PolarHBondContact O-N 2.87Å |
| 1294 | H | 79.3 | Confident | 74.4 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -30.4 | 177.9 | 173.9 | 73.9 | 0 | 0 | 0 | 112.8 | T1292 H1298 R1300 | T1292-H1294 PolarHBondContact O-N 2.93Å; T1292-H1294 PolarHBondContact OG1-N 2.83Å; H1294-H1298 AromaticContact CE1-CD2 3.81Å; H1294-H1298 AromaticContact CE1-CE1 3.35Å; H1294-H1298 PolarHBondContact CE1-CE1 2.82Å; H1294-H1298 AromaticContact CE1-CG 3.86Å; H1294-H1298 AromaticContact CE1-ND1 3.54Å; H1294-H1298 AromaticContact CE1-NE2 3.48Å; H1294-H1298 PolarHBondContact CE1-NE2 2.91Å; H1294-H1298 AromaticContact ND1-CE1 3.19Å; H1294-H1298 PolarHBondContact ND1-CE1 3.24Å; H1294-H1298 AromaticContact ND1-ND1 3.3Å; H1294-H1298 PolarHBondContact ND1-ND1 3.16Å; H1294-H1298 AromaticContact ND1-NE2 3.82Å; H1294-H1298 WeakPolarHBondContact O-CB 3.49Å; H1294-H1298 PolarHBondContact O-N 3.05Å; H1294-H1298 VanDerWaalsContact O-N 3.12Å; H1294-H1298 PolarHBondContact O-ND1 3.45Å; H1294-R1300 PolarHBondContact CD2-NH1 3.45Å; H1294-R1300 PolarHBondContact CD2-NH2 3.25Å; H1294-R1300 PolarHBondContact NE2-NH1 2.89Å |
| 1295 | D | 82.1 | Confident | 75.8 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 172.8 | -65.4 | -72.4 | 0 | 0 | 0 | 112.7 | L1269 F1291 T1292 W1293 E1299 R1300 | L1269-D1295 HydrophobicContact CD1-CB 4.08Å; F1291-D1295 HydrophobicContact CB-CB 4.16Å; T1292-D1295 WeakPolarHBondContact CB-OD2 3.07Å; T1292-D1295 PolarHBondContact N-OD2 2.97Å; T1292-D1295 WeakPolarHBondContact O-CB 3.2Å; T1292-D1295 PolarHBondContact O-N 2.93Å; T1292-D1295 VanDerWaalsContact O-N 3.11Å; T1292-D1295 PolarHBondContact OG1-N 3.26Å; T1292-D1295 PolarHBondContact OG1-OD2 3.21Å; W1293-D1295 VanDerWaalsContact C-N 3.26Å; W1293-D1295 PolarHBondContact O-N 3.48Å; D1295-E1299 PolarHBondContact O-N 2.98Å; D1295-R1300 HydrophobicContact CB-CB 4.39Å; D1295-R1300 PolarHBondContact O-N 2.59Å; D1295-R1300 IonicContact OD1-CZ 2.68Å; D1295-R1300 IonicContact OD1-NE 3.56Å; D1295-R1300 PolarHBondContact OD1-NE 3.36Å; D1295-R1300 IonicContact OD1-NH2 2.84Å; D1295-R1300 PolarHBondContact OD1-NH2 3.11Å; D1295-R1300 IonicContact OD2-NH2 3.15Å |
| 1296 | V | 76.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -38.1 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | S1236 A1237 V1240 F1291 W1293 H1298 | S1236-V1296 VanDerWaalsContact C-CG1 3.47Å; S1236-V1296 WeakPolarHBondContact O-CG1 2.98Å; A1237-V1296 PolarHBondContact N-O 2.76Å; V1240-V1296 HydrophobicContact CB-CG1 4.04Å; V1240-V1296 HydrophobicContact CG2-CG1 3.61Å; V1240-V1296 HydrophobicContact CG2-CG2 4.34Å; F1291-V1296 HydrophobicContact CD2-CG2 3.73Å; F1291-V1296 HydrophobicContact CE2-CG2 3.52Å; W1293-V1296 PolarHBondContact O-N 3.49Å; W1293-V1296 VanDerWaalsContact O-N 3.11Å; V1296-H1298 VanDerWaalsContact C-N 3.34Å |
| 1297 | E | 75.8 | Confident | 77 | Confident | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.9 | -29.1 | 178.5 | -171.7 | 171.1 | -102.9 | 0 | 0 | 112.7 | W1293 | W1293-E1297 PolarHBondContact NE1-OE1 2.93Å; W1293-E1297 VanDerWaalsContact O-CB 3.26Å; W1293-E1297 WeakPolarHBondContact O-CB 3.09Å; W1293-E1297 PolarHBondContact O-N 2.87Å |
| 1298 | H | 77.2 | Confident | 76.8 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 21.9 | 179.4 | -67.2 | 59.8 | 0 | 0 | 0 | 113.2 | H1294 V1296 R1300 | H1294-H1298 AromaticContact CE1-CD2 3.81Å; H1294-H1298 AromaticContact CE1-CE1 3.35Å; H1294-H1298 PolarHBondContact CE1-CE1 2.82Å; H1294-H1298 AromaticContact CE1-CG 3.86Å; H1294-H1298 AromaticContact CE1-ND1 3.54Å; H1294-H1298 AromaticContact CE1-NE2 3.48Å; H1294-H1298 PolarHBondContact CE1-NE2 2.91Å; H1294-H1298 AromaticContact ND1-CE1 3.19Å; H1294-H1298 PolarHBondContact ND1-CE1 3.24Å; H1294-H1298 AromaticContact ND1-ND1 3.3Å; H1294-H1298 PolarHBondContact ND1-ND1 3.16Å; H1294-H1298 AromaticContact ND1-NE2 3.82Å; H1294-H1298 WeakPolarHBondContact O-CB 3.49Å; H1294-H1298 PolarHBondContact O-N 3.05Å; H1294-H1298 VanDerWaalsContact O-N 3.12Å; H1294-H1298 PolarHBondContact O-ND1 3.45Å; V1296-H1298 VanDerWaalsContact C-N 3.34Å; H1298-R1300 HydrophobicContact CB-CG 3.98Å; H1298-R1300 WeakPolarHBondContact O-CG 3.44Å; H1298-R1300 PolarHBondContact O-N 2.9Å |
| 1299 | E | 73.2 | Confident | 76 | Confident | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 23.1 | -178 | -60.5 | -162.5 | 169.7 | 0 | 0 | 115.6 | R1234 D1295 L1301 H1302 | R1234-E1299 WeakPolarHBondContact CD-OE2 3.44Å; R1234-E1299 IonicContact CZ-OE2 3.1Å; R1234-E1299 IonicContact NE-OE2 2.67Å; R1234-E1299 IonicContact NH1-OE2 2.79Å; R1234-E1299 PolarHBondContact NH1-OE2 3.16Å; D1295-E1299 PolarHBondContact O-N 2.98Å; E1299-L1301 VanDerWaalsContact C-N 3.27Å; E1299-L1301 PolarHBondContact O-N 2.78Å; E1299-H1302 PolarHBondContact O-CE1 2.69Å |
| 1300 | R | 76.4 | Confident | 75.1 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | trans | -74.2 | -17 | -172.9 | -55.5 | -155.2 | -66.9 | -130.5 | 11.8 | 113.8 | L1269 G1270 H1294 D1295 H1298 | L1269-R1300 CarbonylContact C-O 3.47Å; L1269-R1300 WeakPolarHBondContact CA-O 3.45Å; L1269-R1300 HydrophobicContact CD1-CB 4.09Å; G1270-R1300 PolarHBondContact N-O 2.61Å; H1294-R1300 PolarHBondContact CD2-NH1 3.45Å; H1294-R1300 PolarHBondContact CD2-NH2 3.25Å; H1294-R1300 PolarHBondContact NE2-NH1 2.89Å; D1295-R1300 HydrophobicContact CB-CB 4.39Å; D1295-R1300 PolarHBondContact O-N 2.59Å; D1295-R1300 IonicContact OD1-CZ 2.68Å; D1295-R1300 IonicContact OD1-NE 3.56Å; D1295-R1300 PolarHBondContact OD1-NE 3.36Å; D1295-R1300 IonicContact OD1-NH2 2.84Å; D1295-R1300 PolarHBondContact OD1-NH2 3.11Å; D1295-R1300 IonicContact OD2-NH2 3.15Å; H1298-R1300 HydrophobicContact CB-CG 3.98Å; H1298-R1300 WeakPolarHBondContact O-CG 3.44Å; H1298-R1300 PolarHBondContact O-N 2.9Å | ||
| 1301 | L | 84.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.5 | -175.3 | -168.4 | 70.1 | 0 | 0 | 0 | 111 | L1235 L1267 L1269 V1288 F1291 E1299 | L1235-L1301 HydrophobicContact CB-CB 4.29Å; L1235-L1301 HydrophobicContact CB-CD2 4.14Å; L1235-L1301 HydrophobicContact CB-CG 4.33Å; L1235-L1301 HydrophobicContact CD1-CD2 3.76Å; L1235-L1301 HydrophobicContact CD1-CG 4.06Å; L1235-L1301 PolarHBondContact N-O 2.89Å; L1267-L1301 HydrophobicContact CD2-CD1 4.32Å; L1267-L1301 HydrophobicContact CD2-CG 4.35Å; L1269-L1301 HydrophobicContact CD1-CB 4.41Å; L1269-L1301 HydrophobicContact CD1-CD1 3.99Å; V1288-L1301 HydrophobicContact CG1-CD1 4.19Å; F1291-L1301 HydrophobicContact CD1-CD1 4.06Å; F1291-L1301 HydrophobicContact CD1-CD2 3.9Å; F1291-L1301 HydrophobicContact CD2-CD2 4.01Å; F1291-L1301 HydrophobicContact CE1-CD1 4.39Å; F1291-L1301 HydrophobicContact CE1-CD2 3.59Å; F1291-L1301 HydrophobicContact CE2-CD2 3.71Å; F1291-L1301 HydrophobicContact CG-CD1 4.38Å; F1291-L1301 HydrophobicContact CG-CD2 4.1Å; F1291-L1301 HydrophobicContact CZ-CD2 3.48Å; F1291-L1301 VanDerWaalsContact CZ-CD2 3.48Å; E1299-L1301 VanDerWaalsContact C-N 3.27Å; E1299-L1301 PolarHBondContact O-N 2.78Å |
| 1302 | H | 82.5 | Confident | 73.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140 | -178.4 | -55.2 | -27.2 | 0 | 0 | 0 | 110.6 | V1232 K1233 L1267 A1268 Y1272 E1299 | V1232-H1302 HydrophobicContact CG1-CB 4.3Å; K1233-H1302 CarbonylContact O-C 3.44Å; K1233-H1302 WeakPolarHBondContact O-CA 3.3Å; L1267-H1302 WeakPolarHBondContact CA-O 3.38Å; A1268-H1302 PolarHBondContact N-O 2.75Å; A1268-H1302 PolarHBondContact O-N 3.24Å; Y1272-H1302 AromaticContact CD2-CD2 3.47Å; Y1272-H1302 VanDerWaalsContact CD2-CD2 3.47Å; Y1272-H1302 WeakPolarHBondContact CD2-CD2 3.19Å; Y1272-H1302 AromaticContact CD2-NE2 3.96Å; E1299-H1302 PolarHBondContact O-CE1 2.69Å |
| 1303 | Y | 85.5 | Confident | 73.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.7 | 167 | 168.1 | -95 | 0 | 0 | 0 | 109.7 | V1227 V1232 K1233 P1262 S1266 H1305 D1313 I1315 I1335 | V1227-Y1303 HydrophobicContact CB-CE1 4.49Å; V1227-Y1303 HydrophobicContact CG1-CD1 4.29Å; V1227-Y1303 HydrophobicContact CG1-CE1 4.21Å; V1227-Y1303 HydrophobicContact CG2-CD1 4.02Å; V1227-Y1303 HydrophobicContact CG2-CE1 4.11Å; V1232-Y1303 CarbonylContact C-O 3.53Å; V1232-Y1303 WeakPolarHBondContact CA-O 3.34Å; K1233-Y1303 HydrophobicContact CB-CD1 4.44Å; K1233-Y1303 PolarHBondContact N-O 2.83Å; K1233-Y1303 PolarHBondContact O-N 2.75Å; P1262-Y1303 HydrophobicContact CB-CE2 3.86Å; P1262-Y1303 HydrophobicContact CG-CE2 4.34Å; S1266-Y1303 WeakPolarHBondContact O-CA 3.45Å; S1266-Y1303 WeakPolarHBondContact O-CD2 3.23Å; Y1303-H1305 HydrophobicContact CE1-CB 3.81Å; Y1303-H1305 AromaticContact CZ-ND1 3.98Å; Y1303-H1305 PolarHBondContact OH-ND1 3.4Å; Y1303-D1313 VanDerWaalsContact CE2-OD2 3.27Å; Y1303-D1313 WeakPolarHBondContact CE2-OD2 2.85Å; Y1303-D1313 VanDerWaalsContact CZ-OD2 3.32Å; Y1303-D1313 WeakPolarHBondContact OH-CB 3.07Å; Y1303-D1313 PolarHBondContact OH-OD2 3.4Å; Y1303-I1315 HydrophobicContact CD2-CD1 4.32Å; Y1303-I1335 HydrophobicContact CD1-CD1 3.99Å; Y1303-I1335 HydrophobicContact CD1-CG2 4.45Å; Y1303-I1335 HydrophobicContact CD2-CD1 3.56Å; Y1303-I1335 HydrophobicContact CE1-CD1 3.83Å; Y1303-I1335 HydrophobicContact CE1-CG2 3.8Å; Y1303-I1335 HydrophobicContact CE2-CD1 3.39Å; Y1303-I1335 HydrophobicContact CG-CD1 3.85Å |
| 1304 | V | 78.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.5 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | V1232 G1265 S1266 | V1232-V1304 HydrophobicContact CG1-CG2 4.3Å; V1232-V1304 HydrophobicContact CG2-CG1 4.31Å; V1232-V1304 HydrophobicContact CG2-CG2 4.19Å; G1265-V1304 CarbonylContact C-O 3.47Å; G1265-V1304 WeakPolarHBondContact CA-O 3.15Å; S1266-V1304 PolarHBondContact N-O 2.81Å; S1266-V1304 PolarHBondContact O-N 2.94Å |
| 1305 | H | 74.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.2 | 176.6 | -167.4 | 64.3 | 0 | 0 | 0 | 111.3 | V1227 G1231 N1264 Y1303 G1310 V1337 | V1227-H1305 HydrophobicContact CG1-CB 4.31Å; G1231-H1305 PolarHBondContact O-N 2.81Å; N1264-H1305 PolarHBondContact O-CE1 3.08Å; N1264-H1305 PolarHBondContact O-ND1 2.9Å; N1264-H1305 VanDerWaalsContact O-ND1 3.11Å; Y1303-H1305 HydrophobicContact CE1-CB 3.81Å; Y1303-H1305 AromaticContact CZ-ND1 3.98Å; Y1303-H1305 PolarHBondContact OH-ND1 3.4Å; H1305-G1310 PolarHBondContact CE1-O 3.34Å; H1305-V1337 WeakPolarHBondContact CE1-CG2 3.39Å; H1305-V1337 WeakPolarHBondContact NE2-CG2 3.29Å |
| 1306 | R | 67.7 | Low | 73.7 | Confident | 120 Ų | 120 | 54 Ų | 54 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 136.1 | -179.8 | -177.6 | 177 | -76.3 | 153 | -4.3 | 110.5 | N1264 D1284 A1309 | N1264-R1306 PolarHBondContact O-N 3.18Å; D1284-R1306 IonicContact OD1-CZ 2.71Å; D1284-R1306 IonicContact OD1-NH2 2.76Å; D1284-R1306 PolarHBondContact OD1-NH2 3.12Å; D1284-R1306 IonicContact OD2-NH2 3.01Å; R1306-A1309 HydrophobicContact CB-CB 3.88Å; R1306-A1309 HydrophobicContact CG-CB 4.38Å; R1306-A1309 WeakPolarHBondContact O-CB 3.44Å; R1306-A1309 PolarHBondContact O-N 3.48Å |
| 1307 | M | 58.8 | Low | 73.9 | Confident | 104 Ų | 104 | 54 Ų | 54 | 51% | 0.512 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 135.1 | 179.5 | -170.2 | 175.5 | -169.9 | 0 | 0 | 111.4 | N1230 A1309 | N1230-M1307 HydrophobicContact CB-CB 4.49Å; M1307-A1309 PolarHBondContact O-N 2.98Å |
| 1308 | G | 54.8 | Low | 74.2 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 12.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1229 | E1229-G1308 PolarHBondContact OE1-N 2.77Š|
| 1309 | A | 55.2 | Low | 74.2 | Confident | 19 Ų | 19 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | trans | -87.8 | 163.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | N1264 R1306 M1307 | N1264-A1309 HydrophobicContact CB-CB 3.58Å; N1264-A1309 WeakPolarHBondContact OD1-CB 2.98Å; R1306-A1309 HydrophobicContact CB-CB 3.88Å; R1306-A1309 HydrophobicContact CG-CB 4.38Å; R1306-A1309 WeakPolarHBondContact O-CB 3.44Å; R1306-A1309 PolarHBondContact O-N 3.48Å; M1307-A1309 PolarHBondContact O-N 2.98Å | ||
| 1310 | G | 60.7 | Low | 74.2 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | trans | -62.6 | 146 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1264 H1305 M1312 | N1264-G1310 PolarHBondContact OD1-N 2.84Å; H1305-G1310 PolarHBondContact CE1-O 3.34Å; G1310-M1312 PolarHBondContact O-N 2.84Å | ||
| 1311 | N | 68 | Low | 73.7 | Confident | 124 Ų | 124 | 41.4 Ų | 41.4 | 66% | 0.663 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -58.9 | -8.6 | -177.4 | -60.4 | 4.7 | 0 | 0 | 0 | 115.4 | V1337 | N1311-V1337 WeakPolarHBondContact O-CB 3.42Å; N1311-V1337 WeakPolarHBondContact O-CG2 3.41Å; N1311-V1337 PolarHBondContact O-N 2.88Å |
| 1312 | M | 68.1 | Low | 72.5 | Confident | 156 Ų | 156 | 48.1 Ų | 48.1 | 77% | 0.768 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.6 | 174.1 | -55.7 | -174.8 | -160.3 | 0 | 0 | 109.2 | N1264 G1310 I1335 | N1264-M1312 PolarHBondContact ND2-O 2.97Å; G1310-M1312 PolarHBondContact O-N 2.84Å; M1312-I1335 WeakPolarHBondContact CA-O 3.28Å |
| 1313 | D | 78.8 | Confident | 71.4 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 165.2 | 172.5 | -161.7 | 4.1 | 0 | 0 | 0 | 109.5 | P1262 E1263 N1264 G1265 Y1303 N1334 I1335 | P1262-D1313 WeakPolarHBondContact CA-OD1 3.37Å; P1262-D1313 WeakPolarHBondContact CB-OD1 2.95Å; P1262-D1313 WeakPolarHBondContact CB-OD2 3.21Å; E1263-D1313 PolarHBondContact N-OD1 2.88Å; N1264-D1313 WeakPolarHBondContact CA-OD2 3.26Å; N1264-D1313 HydrophobicContact CB-CB 3.97Å; N1264-D1313 VanDerWaalsContact N-CG 3.34Å; N1264-D1313 PolarHBondContact N-OD1 3.01Å; N1264-D1313 PolarHBondContact N-OD2 3.23Å; G1265-D1313 PolarHBondContact N-OD2 3.13Å; G1265-D1313 VanDerWaalsContact N-OD2 3.09Å; Y1303-D1313 VanDerWaalsContact CE2-OD2 3.27Å; Y1303-D1313 WeakPolarHBondContact CE2-OD2 2.85Å; Y1303-D1313 VanDerWaalsContact CZ-OD2 3.32Å; Y1303-D1313 WeakPolarHBondContact OH-CB 3.07Å; Y1303-D1313 PolarHBondContact OH-OD2 3.4Å; D1313-N1334 CarbonylContact O-C 3.48Å; D1313-I1335 HydrophobicContact CB-CB 3.94Å; D1313-I1335 HydrophobicContact CB-CD1 4.32Å; D1313-I1335 HydrophobicContact CB-CG2 4.36Å; D1313-I1335 PolarHBondContact N-O 2.76Å; D1313-I1335 WeakPolarHBondContact O-CB 2.95Å; D1313-I1335 PolarHBondContact O-N 2.95Å |
| 1314 | A | 82.1 | Confident | 69.9 | Low | 34 Ų | 34 | 53.8 Ų | 53.8 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 136.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1262 L1333 | P1262-A1314 WeakPolarHBondContact CA-O 3.11Å; A1314-L1333 WeakPolarHBondContact CA-O 3.09Å |
| 1315 | I | 84.4 | Confident | 68.5 | Low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | 168.9 | -52.6 | 159 | 0 | 0 | 0 | 107.8 | L1235 L1267 Y1303 L1317 L1333 I1335 | L1235-I1315 HydrophobicContact CD1-CD1 4.2Å; L1267-I1315 HydrophobicContact CD1-CD1 4.22Å; L1267-I1315 HydrophobicContact CD1-CG1 4.35Å; L1267-I1315 HydrophobicContact CD1-CG2 3.88Å; L1267-I1315 HydrophobicContact CD2-CD1 3.87Å; L1267-I1315 HydrophobicContact CG-CD1 4.24Å; Y1303-I1315 HydrophobicContact CD2-CD1 4.32Å; I1315-L1317 HydrophobicContact CG2-CD2 3.67Å; I1315-L1317 HydrophobicContact CG2-CG 3.95Å; I1315-L1333 HydrophobicContact CB-CB 4.3Å; I1315-L1333 PolarHBondContact N-O 2.76Å; I1315-L1333 PolarHBondContact O-N 3.24Å; I1315-I1335 HydrophobicContact CD1-CD1 3.87Å; I1315-I1335 HydrophobicContact CG1-CD1 4.06Å |
| 1316 | I | 84.5 | Confident | 67.2 | Low | 57 Ų | 57 | 60.1 Ų | 60.1 | 29% | 0.292 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.5 | 175.6 | -48.3 | 174.7 | 0 | 0 | 0 | 108.8 | V1259 G1260 L1330 T1332 | V1259-I1316 PolarHBondContact N-O 3.22Å; G1260-I1316 PolarHBondContact N-O 2.86Å; G1260-I1316 PolarHBondContact O-N 2.85Å; I1316-L1330 HydrophobicContact CG2-CB 4.32Å; I1316-L1330 HydrophobicContact CG2-CD2 4.03Å; I1316-T1332 HydrophobicContact CG1-CG2 4.49Å |
| 1317 | L | 81.4 | Confident | 66.5 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.9 | -177.3 | -58.2 | 171.5 | 0 | 0 | 0 | 110.3 | F1256 K1257 V1258 F1291 I1315 L1330 L1331 L1333 | F1256-L1317 HydrophobicContact CD1-CB 4.41Å; F1256-L1317 HydrophobicContact CD1-CD1 4.12Å; K1257-L1317 CarbonylContact O-C 3.51Å; K1257-L1317 WeakPolarHBondContact O-CA 3.24Å; V1258-L1317 HydrophobicContact CG2-CD2 4Å; F1291-L1317 HydrophobicContact CE1-CD2 3.68Å; F1291-L1317 HydrophobicContact CZ-CD1 3.78Å; F1291-L1317 HydrophobicContact CZ-CD2 3.69Å; F1291-L1317 HydrophobicContact CZ-CG 4.39Å; I1315-L1317 HydrophobicContact CG2-CD2 3.67Å; I1315-L1317 HydrophobicContact CG2-CG 3.95Å; L1317-L1330 CarbonylContact O-C 3.58Å; L1317-L1330 WeakPolarHBondContact O-CA 3.31Å; L1317-L1331 HydrophobicContact CB-CB 4.35Å; L1317-L1331 HydrophobicContact CD1-CD2 4.29Å; L1317-L1331 PolarHBondContact N-O 3.12Å; L1317-L1331 PolarHBondContact O-N 3.14Å; L1317-L1333 HydrophobicContact CD1-CD1 3.78Å; L1317-L1333 HydrophobicContact CD1-CG 4.27Å |
| 1318 | N | 82.1 | Confident | 66.5 | Low | 35 Ų | 35 | 57.6 Ų | 57.6 | 19% | 0.187 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.4 | 163.6 | -176.5 | -22 | 0 | 0 | 0 | 108.8 | F1256 K1257 V1259 S1328 L1330 | F1256-N1318 WeakPolarHBondContact CA-O 3.41Å; K1257-N1318 HydrophobicContact CB-CB 4.45Å; K1257-N1318 PolarHBondContact N-O 2.95Å; K1257-N1318 PolarHBondContact O-N 2.98Å; V1259-N1318 HydrophobicContact CG2-CB 3.62Å; N1318-S1328 PolarHBondContact ND2-OG 3.12Å; N1318-S1328 PolarHBondContact OD1-OG 3.33Å; N1318-L1330 HydrophobicContact CB-CD2 4.46Å |
| 1319 | V | 77.1 | Confident | 67 | Low | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.4 | -178.9 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | L1242 I1254 F1256 R1329 L1331 | L1242-V1319 HydrophobicContact CD1-CG1 4.36Å; L1242-V1319 HydrophobicContact CD2-CG1 4.35Å; I1254-V1319 HydrophobicContact CG2-CG1 3.83Å; F1256-V1319 HydrophobicContact CD1-CG1 4.47Å; F1256-V1319 HydrophobicContact CD1-CG2 3.88Å; F1256-V1319 HydrophobicContact CE1-CG1 4.11Å; F1256-V1319 HydrophobicContact CE1-CG2 3.84Å; V1319-R1329 PolarHBondContact N-O 3.02Å; V1319-L1331 HydrophobicContact CG2-CB 3.85Å; V1319-L1331 HydrophobicContact CG2-CD2 4.22Å |
| 1320 | S | 71.7 | Confident | 67.8 | Low | 48 Ų | 48 | 64 Ų | 64 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.9 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | I1254 H1255 | I1254-S1320 WeakPolarHBondContact CA-O 3.27Å; H1255-S1320 PolarHBondContact N-O 2.84Å; H1255-S1320 PolarHBondContact O-N 3.43Å; H1255-S1320 PolarHBondContact O-OG 3.29Å; H1255-S1320 VanDerWaalsContact O-OG 3.07Å |
| 1321 | S | 65.5 | Low | 68.4 | Low | 24 Ų | 24 | 63.4 Ų | 63.4 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.2 | 178 | -179 | 0 | 0 | 0 | 0 | 110.2 | C1323 | S1321-C1323 VanDerWaalsContact C-N 3.27Å; S1321-C1323 PolarHBondContact O-N 2.97Å |
| 1322 | L | 61.4 | Low | 68.9 | Low | 143 Ų | 143 | 59.2 Ų | 59.2 | 75% | 0.749 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.3 | -177.9 | -70.5 | 164.8 | 0 | 0 | 0 | 114.3 | ||
| 1323 | C | 59.4 | Low | 69.5 | Low | 61 Ų | 61 | 51.9 Ų | 51.9 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 0.8 | -168.2 | -74.3 | 0 | 0 | 0 | 0 | 116.1 | C1252 S1321 | C1252-C1323 VanDerWaalsContact CA-SG 3.57Å; C1252-C1323 HydrophobicContact CB-CB 3.64Å; C1252-C1323 WeakPolarHBondContact CB-SG 3.25Å; C1252-C1323 WeakPolarHBondContact SG-CB 3.32Å; C1252-C1323 CovalentContact SG-SG 2.02Å; C1252-C1323 PolarHBondContact SG-SG 2.78Å; S1321-C1323 VanDerWaalsContact C-N 3.27Å; S1321-C1323 PolarHBondContact O-N 2.97Å |
| 1324 | S | 52.3 | Low | 69.6 | Low | 64 Ų | 64 | 53.4 Ų | 53.4 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -150.3 | 160.5 | -174.8 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | F1326 | S1324-F1326 PolarHBondContact O-N 3.39Š|
| 1325 | A | 49.9 | Very low | 69.3 | Low | 114 Ų | 114 | 52.1 Ų | 52.1 | 94% | 0.942 | 31% | 0.312 | S | S | * | . | trans | -72.6 | 41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1327 | A1325-S1327 PolarHBondContact O-N 3.4Š| ||
| 1326 | F | 47.7 | Very low | 68.7 | Low | 40 Ų | 40 | 53.9 Ų | 53.9 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | trans | -83.6 | 97.6 | -173.8 | -150.9 | -112.2 | 0 | 0 | 0 | 109.9 | Y1245 L1246 S1324 S1328 R1329 | Y1245-F1326 HydrophobicContact CE2-CD2 4.45Å; Y1245-F1326 AromaticContact CE2-CE2 3.72Å; Y1245-F1326 HydrophobicContact CE2-CE2 3.72Å; Y1245-F1326 HydrophobicContact CE2-CZ 4.3Å; Y1245-F1326 WeakPolarHBondContact OH-CE2 3.37Å; L1246-F1326 HydrophobicContact CD1-CE1 4.2Å; L1246-F1326 HydrophobicContact CD1-CZ 4.02Å; L1246-F1326 HydrophobicContact CD2-CD1 4.13Å; L1246-F1326 HydrophobicContact CD2-CD2 4.16Å; L1246-F1326 HydrophobicContact CD2-CE1 3.92Å; L1246-F1326 HydrophobicContact CD2-CE2 3.99Å; L1246-F1326 HydrophobicContact CD2-CG 4.23Å; L1246-F1326 HydrophobicContact CD2-CZ 3.84Å; L1246-F1326 HydrophobicContact CG-CZ 4.38Å; S1324-F1326 PolarHBondContact O-N 3.39Å; F1326-S1328 PolarHBondContact O-N 2.88Å; F1326-S1328 VanDerWaalsContact O-N 3.16Å; F1326-R1329 HydrophobicContact CE1-CB 4.15Å; F1326-R1329 HydrophobicContact CE1-CG 3.79Å; F1326-R1329 HydrophobicContact CZ-CG 3.98Å | ||
| 1327 | S | 52.5 | Low | 67.7 | Low | 96 Ų | 96 | 52.2 Ų | 52.2 | 67% | 0.671 | 32% | 0.317 | S | S | * | . | trans | -55.6 | 118.4 | 169.9 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | A1325 R1329 | A1325-S1327 PolarHBondContact O-N 3.4Å; S1327-R1329 PolarHBondContact O-N 2.51Å | ||
| 1328 | S | 58.7 | Low | 66.7 | Low | 76 Ų | 76 | 59.8 Ų | 59.8 | 53% | 0.531 | 35% | 0.345 | S | S | . | . | trans | -15.1 | 99 | 167.1 | 159.5 | 0 | 0 | 0 | 0 | 113.6 | N1318 F1326 | N1318-S1328 PolarHBondContact ND2-OG 3.12Å; N1318-S1328 PolarHBondContact OD1-OG 3.33Å; F1326-S1328 PolarHBondContact O-N 2.88Å; F1326-S1328 VanDerWaalsContact O-N 3.16Å | ||
| 1329 | R | 64.5 | Low | 65.3 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 42% | 0.415 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137.4 | 174.4 | -74.9 | -159.5 | -175.2 | 166.6 | 3.6 | 110.5 | E1243 Y1245 V1319 F1326 S1327 | E1243-R1329 IonicContact OE2-CZ 3.75Å; E1243-R1329 IonicContact OE2-NH1 2.66Å; E1243-R1329 PolarHBondContact OE2-NH1 2.97Å; E1243-R1329 IonicContact OE2-NH2 3.99Å; Y1245-R1329 PolarHBondContact OH-NH1 3.05Å; Y1245-R1329 PolarHBondContact OH-NH2 3.03Å; Y1245-R1329 VanDerWaalsContact OH-NH2 3.09Å; V1319-R1329 PolarHBondContact N-O 3.02Å; F1326-R1329 HydrophobicContact CE1-CB 4.15Å; F1326-R1329 HydrophobicContact CE1-CG 3.79Å; F1326-R1329 HydrophobicContact CZ-CG 3.98Å; S1327-R1329 PolarHBondContact O-N 2.51Å |
| 1330 | L | 72.7 | Confident | 64.4 | Low | 114 Ų | 114 | 65 Ų | 65 | 60% | 0.597 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.4 | 167.2 | -61.8 | 173.1 | 0 | 0 | 0 | 109.1 | I1316 L1317 N1318 | I1316-L1330 HydrophobicContact CG2-CB 4.32Å; I1316-L1330 HydrophobicContact CG2-CD2 4.03Å; L1317-L1330 CarbonylContact O-C 3.58Å; L1317-L1330 WeakPolarHBondContact O-CA 3.31Å; N1318-L1330 HydrophobicContact CB-CD2 4.46Å |
| 1331 | L | 73.9 | Confident | 64 | Low | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 113.8 | 172.7 | 168.4 | 62.9 | 0 | 0 | 0 | 107.9 | V1240 L1242 F1256 L1317 V1319 L1333 | V1240-L1331 HydrophobicContact CG1-CD2 3.89Å; L1242-L1331 HydrophobicContact CD2-CD2 4.4Å; F1256-L1331 HydrophobicContact CE1-CD2 4.47Å; L1317-L1331 HydrophobicContact CB-CB 4.35Å; L1317-L1331 HydrophobicContact CD1-CD2 4.29Å; L1317-L1331 PolarHBondContact N-O 3.12Å; L1317-L1331 PolarHBondContact O-N 3.14Å; V1319-L1331 HydrophobicContact CG2-CB 3.85Å; V1319-L1331 HydrophobicContact CG2-CD2 4.22Å; L1331-L1333 HydrophobicContact CD1-CD2 4.25Å; L1331-L1333 HydrophobicContact CD2-CD2 4.35Å; L1331-L1333 HydrophobicContact CG-CD2 4.17Å |
| 1332 | T | 78.1 | Confident | 64.1 | Low | 35 Ų | 35 | 64 Ų | 64 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.8 | 174.8 | -41.5 | 0 | 0 | 0 | 0 | 109.8 | D1222 I1316 N1334 | D1222-T1332 WeakPolarHBondContact OD1-CB 3.4Å; I1316-T1332 HydrophobicContact CG1-CG2 4.49Å; T1332-N1334 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1333 | L | 81.7 | Confident | 64.9 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 95.4 | 165.7 | -55.5 | 179.8 | 0 | 0 | 0 | 107.6 | K1223 I1225 A1314 I1315 L1317 L1331 | K1223-L1333 HydrophobicContact CB-CD2 4.41Å; I1225-L1333 HydrophobicContact CD1-CB 4.12Å; I1225-L1333 HydrophobicContact CD1-CD1 4.2Å; I1225-L1333 HydrophobicContact CD1-CD2 4.36Å; I1225-L1333 HydrophobicContact CD1-CG 4.46Å; A1314-L1333 WeakPolarHBondContact CA-O 3.09Å; I1315-L1333 HydrophobicContact CB-CB 4.3Å; I1315-L1333 PolarHBondContact N-O 2.76Å; I1315-L1333 PolarHBondContact O-N 3.24Å; L1317-L1333 HydrophobicContact CD1-CD1 3.78Å; L1317-L1333 HydrophobicContact CD1-CG 4.27Å; L1331-L1333 HydrophobicContact CD1-CD2 4.25Å; L1331-L1333 HydrophobicContact CD2-CD2 4.35Å; L1331-L1333 HydrophobicContact CG-CD2 4.17Å |
| 1334 | N | 80.4 | Confident | 65.9 | Low | 43 Ų | 43 | 60.1 Ų | 60.1 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.8 | 169.4 | -65.3 | -17.2 | 0 | 0 | 0 | 108.7 | D1222 K1223 T1224 I1225 D1313 T1332 | D1222-N1334 PolarHBondContact OD2-ND2 2.8Å; D1222-N1334 VanDerWaalsContact OD2-ND2 3.14Å; K1223-N1334 WeakPolarHBondContact O-CA 3.28Å; K1223-N1334 WeakPolarHBondContact O-CB 3.42Å; K1223-N1334 PolarHBondContact O-N 2.96Å; T1224-N1334 CarbonylContact C-O 3.12Å; T1224-N1334 VanDerWaalsContact CA-O 3.31Å; T1224-N1334 WeakPolarHBondContact CA-O 3.33Å; I1225-N1334 PolarHBondContact N-O 3.37Å; D1313-N1334 CarbonylContact O-C 3.48Å; T1332-N1334 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1335 | I | 76 | Confident | 67.4 | Low | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.8 | -177.3 | -59.1 | -178.8 | 0 | 0 | 0 | 106.9 | I1225 V1227 Y1303 M1312 D1313 I1315 | I1225-I1335 CarbonylContact O-C 3.48Å; I1225-I1335 WeakPolarHBondContact O-CA 3.41Å; V1227-I1335 HydrophobicContact CB-CG2 4.31Å; V1227-I1335 HydrophobicContact CG2-CG2 3.66Å; Y1303-I1335 HydrophobicContact CD1-CD1 3.99Å; Y1303-I1335 HydrophobicContact CD1-CG2 4.45Å; Y1303-I1335 HydrophobicContact CD2-CD1 3.56Å; Y1303-I1335 HydrophobicContact CE1-CD1 3.83Å; Y1303-I1335 HydrophobicContact CE1-CG2 3.8Å; Y1303-I1335 HydrophobicContact CE2-CD1 3.39Å; Y1303-I1335 HydrophobicContact CG-CD1 3.85Å; M1312-I1335 WeakPolarHBondContact CA-O 3.28Å; D1313-I1335 HydrophobicContact CB-CB 3.94Å; D1313-I1335 HydrophobicContact CB-CD1 4.32Å; D1313-I1335 HydrophobicContact CB-CG2 4.36Å; D1313-I1335 PolarHBondContact N-O 2.76Å; D1313-I1335 WeakPolarHBondContact O-CB 2.95Å; D1313-I1335 PolarHBondContact O-N 2.95Å; I1315-I1335 HydrophobicContact CD1-CD1 3.87Å; I1315-I1335 HydrophobicContact CG1-CD1 4.06Å |
| 1336 | S | 71.2 | Confident | 68.9 | Low | 39 Ų | 39 | 56.6 Ų | 56.6 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.7 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | T1224 I1225 S1226 V1227 | T1224-S1336 WeakPolarHBondContact CG2-OG 3.17Å; I1225-S1336 PolarHBondContact O-N 3.33Å; I1225-S1336 PolarHBondContact O-OG 3.07Å; S1226-S1336 WeakPolarHBondContact CA-O 3.42Å; V1227-S1336 PolarHBondContact N-O 3.08Å |
| 1337 | V | 63.3 | Low | 70.2 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.4 | 170.8 | -170.2 | 0 | 0 | 0 | 0 | 107.1 | V1227 E1229 H1305 N1311 | V1227-V1337 CarbonylContact O-C 3.39Å; V1227-V1337 WeakPolarHBondContact O-CA 3.24Å; E1229-V1337 HydrophobicContact CB-CG1 4.1Å; H1305-V1337 WeakPolarHBondContact CE1-CG2 3.39Å; H1305-V1337 WeakPolarHBondContact NE2-CG2 3.29Å; N1311-V1337 WeakPolarHBondContact O-CB 3.42Å; N1311-V1337 WeakPolarHBondContact O-CG2 3.41Å; N1311-V1337 PolarHBondContact O-N 2.88Å |
| 1338 | R | 61.1 | Low | 71.6 | Confident | 159 Ų | 159 | 56.1 Ų | 56.1 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143.4 | 168.2 | -78 | -170.7 | 173.9 | 178.2 | -3.4 | 109.5 | V1227 S1340 | V1227-R1338 PolarHBondContact O-N 3.5Å; R1338-S1340 PolarHBondContact O-N 3.29Å |
| 1339 | P | 52.6 | Low | 72.4 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 140.4 | -177.8 | 22.2 | -33.3 | 0 | 0 | 0 | 111.5 | ||
| 1340 | S | 58.2 | Low | 72.9 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | trans | -77.1 | 177.5 | 176.3 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | E1229 R1338 S1342 | E1229-S1340 VanDerWaalsContact OE2-CB 3.23Å; E1229-S1340 WeakPolarHBondContact OE2-CB 3.06Å; E1229-S1340 PolarHBondContact OE2-OG 2.79Å; R1338-S1340 PolarHBondContact O-N 3.29Å; S1340-S1342 PolarHBondContact O-N 2.59Å | ||
| 1341 | I | 63.6 | Low | 72.7 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 118.1 | 170.5 | -61.1 | 156 | 0 | 0 | 0 | 107.2 | I1365 A1432 L1434 M1439 S1441 | I1341-I1365 HydrophobicContact CG2-CG2 4.07Å; I1341-A1432 HydrophobicContact CG2-CB 3.81Å; I1341-L1434 HydrophobicContact CD1-CB 3.81Å; I1341-L1434 HydrophobicContact CD1-CD1 3.64Å; I1341-L1434 HydrophobicContact CD1-CG 4.31Å; I1341-L1434 HydrophobicContact CG1-CD1 3.79Å; I1341-L1434 HydrophobicContact CG2-CD1 4.1Å; I1341-M1439 HydrophobicContact CD1-CB 3.51Å; I1341-S1441 VanDerWaalsContact O-CA 3.27Å; I1341-S1441 WeakPolarHBondContact O-CA 3.22Å; I1341-S1441 WeakPolarHBondContact O-CB 2.97Å |
| 1342 | S | 66.6 | Low | 72.3 | Confident | 44 Ų | 44 | 48 Ų | 48 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.7 | 179 | 157.5 | 0 | 0 | 0 | 0 | 109.4 | S1340 E1366 | S1340-S1342 PolarHBondContact O-N 2.59Å; S1342-E1366 PolarHBondContact N-O 3.41Å; S1342-E1366 PolarHBondContact O-N 3.17Å; S1342-E1366 PolarHBondContact OG-OE2 3.43Å |
| 1343 | L | 78.5 | Confident | 71.7 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 101.6 | 175.9 | -178.2 | 64.4 | 0 | 0 | 0 | 108.2 | V1345 I1363 Q1364 I1365 L1430 A1432 A1444 | L1343-V1345 HydrophobicContact CG-CG1 4.37Å; L1343-I1363 HydrophobicContact CD1-CG2 3.68Å; L1343-Q1364 WeakPolarHBondContact CA-O 2.94Å; L1343-I1365 HydrophobicContact CD1-CG1 4.13Å; L1343-L1430 HydrophobicContact CD2-CB 3.88Å; L1343-A1432 HydrophobicContact CB-CB 4.48Å; L1343-A1432 HydrophobicContact CD1-CB 4.25Å; L1343-A1444 HydrophobicContact CB-CB 4.31Å; L1343-A1444 HydrophobicContact CD2-CB 3.88Å; L1343-A1444 HydrophobicContact CG-CB 4.01Å |
| 1344 | K | 80 | Confident | 71.2 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.1 | 175.3 | -72.9 | 172.8 | 173.2 | 168.1 | 0 | 109.5 | I1363 Q1364 E1366 | K1344-I1363 WeakPolarHBondContact O-CA 3.2Å; K1344-Q1364 HydrophobicContact CB-CB 4.23Å; K1344-Q1364 PolarHBondContact N-O 3.11Å; K1344-Q1364 PolarHBondContact O-N 2.73Å; K1344-E1366 WeakPolarHBondContact CD-OE2 3.15Å; K1344-E1366 WeakPolarHBondContact CE-OE1 3.45Å; K1344-E1366 WeakPolarHBondContact CE-OE2 3.4Å; K1344-E1366 IonicContact NZ-OE1 2.76Å; K1344-E1366 PolarHBondContact NZ-OE1 3.17Å; K1344-E1366 IonicContact NZ-OE2 2.7Å; K1344-E1366 PolarHBondContact NZ-OE2 3.45Å; K1344-E1366 VanDerWaalsContact NZ-OE2 3.16Å |
| 1345 | V | 83.5 | Confident | 71.2 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.4 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | L1343 N1362 I1363 L1430 A1444 M1446 | L1343-V1345 HydrophobicContact CG-CG1 4.37Å; V1345-N1362 VanDerWaalsContact CA-O 3.28Å; V1345-N1362 WeakPolarHBondContact CA-O 3.3Å; V1345-I1363 HydrophobicContact CG1-CG1 4.49Å; V1345-L1430 HydrophobicContact CG1-CD1 4.44Å; V1345-A1444 HydrophobicContact CG1-CB 3.93Å; V1345-A1444 HydrophobicContact CG2-CB 3.96Å; V1345-M1446 HydrophobicContact CB-SD 4.22Å |
| 1346 | T | 81.7 | Confident | 71.5 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 36% | 0.356 | 29% | 0.294 | S | S | . | . | trans | -110.9 | 151.7 | 180 | 65 | 0 | 0 | 0 | 0 | 112 | L1348 D1361 N1362 | T1346-L1348 PolarHBondContact O-N 3.13Å; T1346-D1361 VanDerWaalsContact CG2-O 3.29Å; T1346-D1361 WeakPolarHBondContact CG2-O 3.44Å; T1346-N1362 PolarHBondContact N-O 3.49Å; T1346-N1362 WeakPolarHBondContact OG1-CA 3.2Å; T1346-N1362 PolarHBondContact OG1-ND2 2.8Å; T1346-N1362 VanDerWaalsContact OG1-ND2 3.08Å | ||
| 1347 | E | 76.4 | Confident | 72.2 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | trans | -61 | 134.5 | 169.5 | -172.7 | -179.3 | -158.7 | 0 | 0 | 111.9 | Q1449 | E1347-Q1449 HydrophobicContact CG-CB 4.48Š| ||
| 1348 | L | 81.7 | Confident | 73.3 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 99.9 | -174.1 | -166.8 | 76.1 | 0 | 0 | 0 | 111 | T1346 V1350 V1356 L1358 Y1416 M1446 N1447 V1448 Q1449 | T1346-L1348 PolarHBondContact O-N 3.13Å; L1348-V1350 HydrophobicContact CD2-CG2 4Å; L1348-V1350 HydrophobicContact CG-CG2 3.97Å; L1348-V1350 PolarHBondContact O-N 2.03Å; L1348-V1356 HydrophobicContact CD1-CG1 3.88Å; L1348-V1356 HydrophobicContact CG-CG1 4.47Å; L1348-L1358 HydrophobicContact CD1-CD2 3.84Å; L1348-L1358 HydrophobicContact CD2-CD2 3.95Å; L1348-Y1416 HydrophobicContact CD2-CD1 4.11Å; L1348-Y1416 HydrophobicContact CD2-CG 4.07Å; L1348-M1446 HydrophobicContact CB-CG 4.41Å; L1348-N1447 PolarHBondContact N-O 3.13Å; L1348-V1448 HydrophobicContact CB-CG1 4.48Å; L1348-V1448 HydrophobicContact CB-CG2 4.33Å; L1348-V1448 HydrophobicContact CD2-CG1 4.33Å; L1348-V1448 HydrophobicContact CD2-CG2 4.18Å; L1348-V1448 CarbonylContact O-C 3.48Å; L1348-V1448 VanDerWaalsContact O-CA 3.28Å; L1348-V1448 WeakPolarHBondContact O-CA 3.24Å; L1348-V1448 WeakPolarHBondContact O-CG1 3.08Å; L1348-Q1449 PolarHBondContact O-N 3.39Å |
| 1349 | S | 75.9 | Confident | 74.3 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.2 | 172.4 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | Q1449 R1451 | S1349-Q1449 WeakPolarHBondContact CA-O 3.38Å; S1349-Q1449 PolarHBondContact OG-OE1 2.84Å; S1349-R1451 PolarHBondContact OG-NE 2.99Å; S1349-R1451 PolarHBondContact OG-NH2 2.92Å; S1349-R1451 VanDerWaalsContact OG-NH2 3.11Å |
| 1350 | V | 74.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146.8 | -179.2 | -173.9 | 0 | 0 | 0 | 0 | 110 | L1348 V1356 Y1416 H1418 V1448 Q1449 I1450 R1451 | L1348-V1350 HydrophobicContact CD2-CG2 4Å; L1348-V1350 HydrophobicContact CG-CG2 3.97Å; L1348-V1350 PolarHBondContact O-N 2.03Å; V1350-V1356 HydrophobicContact CB-CG2 4.42Å; V1350-V1356 HydrophobicContact CG1-CG2 4.17Å; V1350-V1356 HydrophobicContact CG2-CB 4.36Å; V1350-V1356 HydrophobicContact CG2-CG2 3.88Å; V1350-Y1416 HydrophobicContact CB-CE1 4.43Å; V1350-Y1416 HydrophobicContact CG1-CD1 4.46Å; V1350-Y1416 HydrophobicContact CG1-CE1 4.14Å; V1350-Y1416 HydrophobicContact CG2-CD1 3.94Å; V1350-Y1416 HydrophobicContact CG2-CE1 3.95Å; V1350-H1418 HydrophobicContact CG1-CB 4.13Å; V1350-V1448 HydrophobicContact CB-CG1 4.08Å; V1350-V1448 HydrophobicContact CG2-CG1 3.52Å; V1350-Q1449 PolarHBondContact N-O 2.72Å; V1350-I1450 CarbonylContact O-C 3.56Å; V1350-I1450 WeakPolarHBondContact O-CA 3.34Å; V1350-R1451 PolarHBondContact O-N 2.81Å |
| 1351 | N | 68.7 | Low | 76.5 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | trans | -95.4 | 148.4 | 170.3 | -66.9 | -18.1 | 0 | 0 | 0 | 109.7 | L1353 Q1354 | N1351-L1353 PolarHBondContact O-N 3.21Å; N1351-Q1354 HydrophobicContact CB-CB 4.4Å; N1351-Q1354 HydrophobicContact CB-CG 3.89Å; N1351-Q1354 PolarHBondContact ND2-NE2 2.62Å; N1351-Q1354 WeakPolarHBondContact O-CB 3.43Å; N1351-Q1354 PolarHBondContact O-N 3Å | ||
| 1352 | P | 64.8 | Low | 77.4 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 135.6 | 176.2 | -30 | 35.1 | 0 | 0 | 0 | 113.6 | Q1354 I1450 R1451 | P1352-Q1354 PolarHBondContact O-N 3.44Å; P1352-I1450 HydrophobicContact CG-CG2 3.79Å; P1352-R1451 WeakPolarHBondContact CD-O 3.23Å |
| 1353 | L | 65.8 | Low | 78.3 | Confident | 109 Ų | 109 | 47 Ų | 47 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.5 | -177.1 | -55.3 | 174.1 | 0 | 0 | 0 | 116.1 | N1351 N1420 | N1351-L1353 PolarHBondContact O-N 3.21Å; L1353-N1420 HydrophobicContact CD2-CB 3.93Å |
| 1354 | Q | 69.8 | Low | 78.4 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | trans | -96.4 | 160.1 | 172.9 | -60.9 | -160.4 | 17.2 | 0 | 0 | 113.1 | H5 N1351 P1352 H1418 | H5-Q1354 PolarHBondContact CD2-NE2 2.78Å; H5-Q1354 PolarHBondContact NE2-NE2 2.79Å; N1351-Q1354 HydrophobicContact CB-CB 4.4Å; N1351-Q1354 HydrophobicContact CB-CG 3.89Å; N1351-Q1354 PolarHBondContact ND2-NE2 2.62Å; N1351-Q1354 WeakPolarHBondContact O-CB 3.43Å; N1351-Q1354 PolarHBondContact O-N 3Å; P1352-Q1354 PolarHBondContact O-N 3.44Å; Q1354-H1418 PolarHBondContact O-N 2.62Å; Q1354-H1418 VanDerWaalsContact O-N 3.16Å | ||
| 1355 | R | 80.6 | Confident | 78.2 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 147.3 | 165.4 | 72.6 | 169.9 | -172.2 | 166.9 | 2.6 | 111.4 | M1 E1392 W1415 Y1416 I1417 | M1-R1355 VanDerWaalsContact SD-CD 3.56Å; M1-R1355 HydrophobicContact SD-CG 4.49Å; R1355-E1392 IonicContact CZ-OE2 2.88Å; R1355-E1392 IonicContact NH1-OE1 3.53Å; R1355-E1392 IonicContact NH1-OE2 2.88Å; R1355-E1392 PolarHBondContact NH1-OE2 3.13Å; R1355-E1392 IonicContact NH2-OE2 3.51Å; R1355-E1392 PolarHBondContact NH2-OE2 3.35Å; R1355-W1415 HydrophobicContact CB-CE3 4.29Å; R1355-W1415 VanDerWaalsContact CD-CE3 3.47Å; R1355-W1415 HydrophobicContact CG-CE3 3.77Å; R1355-W1415 HydrophobicContact CG-CZ3 3.95Å; R1355-Y1416 CarbonylContact C-O 2.9Å; R1355-Y1416 VanDerWaalsContact CA-O 3.25Å; R1355-Y1416 WeakPolarHBondContact CA-O 3.29Å; R1355-Y1416 WeakPolarHBondContact CB-O 3.2Å; R1355-I1417 HydrophobicContact CB-CB 4.43Å; R1355-I1417 HydrophobicContact CB-CG1 3.94Å; R1355-I1417 HydrophobicContact CB-CG2 4.46Å |
| 1356 | V | 83.7 | Confident | 77.6 | Confident | 35 Ų | 35 | 48 Ų | 48 | 21% | 0.212 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | L1348 V1350 W1415 Y1416 | L1348-V1356 HydrophobicContact CD1-CG1 3.88Å; L1348-V1356 HydrophobicContact CG-CG1 4.47Å; V1350-V1356 HydrophobicContact CB-CG2 4.42Å; V1350-V1356 HydrophobicContact CG1-CG2 4.17Å; V1350-V1356 HydrophobicContact CG2-CB 4.36Å; V1350-V1356 HydrophobicContact CG2-CG2 3.88Å; V1356-W1415 WeakPolarHBondContact O-CA 3.32Å; V1356-Y1416 PolarHBondContact N-O 2.93Å; V1356-Y1416 PolarHBondContact O-N 3.47Å |
| 1357 | L | 85.5 | Confident | 76.7 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 138.8 | 177.3 | -179.3 | 71.3 | 0 | 0 | 0 | 109.3 | T1359 G1412 V1414 W1415 | L1357-T1359 HydrophobicContact CD2-CG2 3.99Å; L1357-T1359 HydrophobicContact CG-CG2 4.26Å; L1357-G1412 WeakPolarHBondContact CD1-O 3.19Å; L1357-V1414 VanDerWaalsContact CD1-O 3.31Å; L1357-V1414 WeakPolarHBondContact CD1-O 3.43Å; L1357-W1415 HydrophobicContact CB-CD2 4.37Å; L1357-W1415 HydrophobicContact CB-CE3 4.04Å; L1357-W1415 HydrophobicContact CB-CH2 4.19Å; L1357-W1415 HydrophobicContact CB-CZ3 3.94Å; L1357-W1415 HydrophobicContact CD1-CD2 3.92Å; L1357-W1415 HydrophobicContact CD1-CE3 4.42Å; L1357-W1415 HydrophobicContact CD1-CG 4.32Å; L1357-W1415 HydrophobicContact CD1-CH2 4.37Å; L1357-W1415 HydrophobicContact CD1-CZ2 3.86Å |
| 1358 | L | 85.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | trans | -96.2 | 117.2 | 170 | -61.2 | -179.1 | 0 | 0 | 0 | 109.3 | L1348 N1362 I1363 L1389 L1409 V1414 F1428 M1446 | L1348-L1358 HydrophobicContact CD1-CD2 3.84Å; L1348-L1358 HydrophobicContact CD2-CD2 3.95Å; L1358-N1362 HydrophobicContact CD2-CB 4.42Å; L1358-I1363 HydrophobicContact CD1-CD1 4.32Å; L1358-L1389 HydrophobicContact CD1-CD2 3.98Å; L1358-L1409 HydrophobicContact CB-CD2 4.13Å; L1358-L1409 WeakPolarHBondContact O-CD2 3.06Å; L1358-V1414 HydrophobicContact CB-CB 4.42Å; L1358-V1414 HydrophobicContact CB-CG1 4.48Å; L1358-V1414 HydrophobicContact CD1-CG1 4.15Å; L1358-V1414 PolarHBondContact N-O 3.13Å; L1358-F1428 HydrophobicContact CD1-CE2 4.47Å; L1358-F1428 HydrophobicContact CD1-CZ 4.2Å; L1358-M1446 HydrophobicContact CD1-CE 4.15Å; L1358-M1446 HydrophobicContact CD2-CE 3.84Å | ||
| 1359 | T | 83.3 | Confident | 74.8 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -103.3 | 176 | 178.8 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | L1357 D1361 N1362 I1363 | L1357-T1359 HydrophobicContact CD2-CG2 3.99Å; L1357-T1359 HydrophobicContact CG-CG2 4.26Å; T1359-D1361 VanDerWaalsContact CB-OD2 3.29Å; T1359-D1361 WeakPolarHBondContact CB-OD2 3.34Å; T1359-D1361 PolarHBondContact O-N 3.31Å; T1359-D1361 WeakPolarHBondContact OG1-CB 3.3Å; T1359-D1361 VanDerWaalsContact OG1-CG 3.29Å; T1359-D1361 PolarHBondContact OG1-N 3.12Å; T1359-D1361 VanDerWaalsContact OG1-N 3.13Å; T1359-D1361 PolarHBondContact OG1-OD2 2.81Å; T1359-N1362 PolarHBondContact N-OD1 2.59Å; T1359-N1362 PolarHBondContact O-N 2.81Å; T1359-N1362 VanDerWaalsContact O-N 3.1Å; T1359-N1362 PolarHBondContact OG1-OD1 3.34Å; T1359-I1363 PolarHBondContact O-N 3.45Å | ||
| 1360 | S | 80.1 | Confident | 73.3 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -8 | 168.2 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | Q1364 K1410 | S1360-Q1364 WeakPolarHBondContact O-CG 3.49Å; S1360-K1410 WeakPolarHBondContact OG-CG 3.15Å |
| 1361 | D | 75.8 | Confident | 72.1 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -29.2 | 172.4 | -36.2 | -62.6 | 0 | 0 | 0 | 110.6 | T1346 T1359 | T1346-D1361 VanDerWaalsContact CG2-O 3.29Å; T1346-D1361 WeakPolarHBondContact CG2-O 3.44Å; T1359-D1361 VanDerWaalsContact CB-OD2 3.29Å; T1359-D1361 WeakPolarHBondContact CB-OD2 3.34Å; T1359-D1361 PolarHBondContact O-N 3.31Å; T1359-D1361 WeakPolarHBondContact OG1-CB 3.3Å; T1359-D1361 VanDerWaalsContact OG1-CG 3.29Å; T1359-D1361 PolarHBondContact OG1-N 3.12Å; T1359-D1361 VanDerWaalsContact OG1-N 3.13Å; T1359-D1361 PolarHBondContact OG1-OD2 2.81Å |
| 1362 | N | 82.9 | Confident | 71.3 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -23.7 | 178.2 | -55.4 | 126.1 | 0 | 0 | 0 | 113.7 | V1345 T1346 L1358 T1359 | V1345-N1362 VanDerWaalsContact CA-O 3.28Å; V1345-N1362 WeakPolarHBondContact CA-O 3.3Å; T1346-N1362 PolarHBondContact N-O 3.49Å; T1346-N1362 WeakPolarHBondContact OG1-CA 3.2Å; T1346-N1362 PolarHBondContact OG1-ND2 2.8Å; T1346-N1362 VanDerWaalsContact OG1-ND2 3.08Å; L1358-N1362 HydrophobicContact CD2-CB 4.42Å; T1359-N1362 PolarHBondContact N-OD1 2.59Å; T1359-N1362 PolarHBondContact O-N 2.81Å; T1359-N1362 VanDerWaalsContact O-N 3.1Å; T1359-N1362 PolarHBondContact OG1-OD1 3.34Å |
| 1363 | I | 85.5 | Confident | 70.7 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 108.9 | -176.9 | -55.3 | 171.2 | 0 | 0 | 0 | 108.7 | L1343 K1344 V1345 L1358 T1359 V1378 F1404 L1409 L1430 M1446 | L1343-I1363 HydrophobicContact CD1-CG2 3.68Å; K1344-I1363 WeakPolarHBondContact O-CA 3.2Å; V1345-I1363 HydrophobicContact CG1-CG1 4.49Å; L1358-I1363 HydrophobicContact CD1-CD1 4.32Å; T1359-I1363 PolarHBondContact O-N 3.45Å; I1363-V1378 HydrophobicContact CG2-CG2 4.45Å; I1363-F1404 HydrophobicContact CD1-CE2 4.12Å; I1363-F1404 HydrophobicContact CD1-CZ 3.83Å; I1363-L1409 HydrophobicContact CB-CD1 3.8Å; I1363-L1409 HydrophobicContact CD1-CD1 4.41Å; I1363-L1409 HydrophobicContact CD1-CD2 4.04Å; I1363-L1409 HydrophobicContact CG2-CD1 4.03Å; I1363-L1430 HydrophobicContact CD1-CD1 3.54Å; I1363-L1430 HydrophobicContact CG1-CD1 4.07Å; I1363-M1446 HydrophobicContact CD1-CE 3.78Å; I1363-M1446 HydrophobicContact CG1-CE 3.7Å |
| 1364 | Q | 80.2 | Confident | 70 | Confident | 91 Ų | 91 | 65 Ų | 65 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131 | 178.7 | -66.6 | 179 | -6.6 | 0 | 0 | 111.2 | L1343 K1344 S1360 | L1343-Q1364 WeakPolarHBondContact CA-O 2.94Å; K1344-Q1364 HydrophobicContact CB-CB 4.23Å; K1344-Q1364 PolarHBondContact N-O 3.11Å; K1344-Q1364 PolarHBondContact O-N 2.73Å; S1360-Q1364 WeakPolarHBondContact O-CG 3.49Å |
| 1365 | I | 76.3 | Confident | 69.6 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 104 | 177.8 | -52.3 | 175.7 | 0 | 0 | 0 | 109.1 | I1341 L1343 V1378 E1406 A1432 | I1341-I1365 HydrophobicContact CG2-CG2 4.07Å; L1343-I1365 HydrophobicContact CD1-CG1 4.13Å; I1365-V1378 HydrophobicContact CD1-CG2 3.84Å; I1365-V1378 HydrophobicContact CG1-CG2 4.5Å; I1365-E1406 HydrophobicContact CD1-CB 4.39Å; I1365-E1406 HydrophobicContact CD1-CG 4.27Å; I1365-A1432 HydrophobicContact CD1-CB 4.47Å; I1365-A1432 HydrophobicContact CG1-CB 4.35Å; I1365-A1432 HydrophobicContact CG2-CB 4.01Å |
| 1366 | E | 71.5 | Confident | 69.2 | Low | 77 Ų | 77 | 65.4 Ų | 65.4 | 36% | 0.36 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.6 | 175.9 | -72.9 | 179.6 | 143.7 | 0 | 0 | 110.5 | S1342 K1344 | S1342-E1366 PolarHBondContact N-O 3.41Å; S1342-E1366 PolarHBondContact O-N 3.17Å; S1342-E1366 PolarHBondContact OG-OE2 3.43Å; K1344-E1366 WeakPolarHBondContact CD-OE2 3.15Å; K1344-E1366 WeakPolarHBondContact CE-OE1 3.45Å; K1344-E1366 WeakPolarHBondContact CE-OE2 3.4Å; K1344-E1366 IonicContact NZ-OE1 2.76Å; K1344-E1366 PolarHBondContact NZ-OE1 3.17Å; K1344-E1366 IonicContact NZ-OE2 2.7Å; K1344-E1366 PolarHBondContact NZ-OE2 3.45Å; K1344-E1366 VanDerWaalsContact NZ-OE2 3.16Å |
| 1367 | S | 63.1 | Low | 68.8 | Low | 24 Ų | 24 | 64 Ų | 64 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | trans | -163.8 | 124 | -170 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | F1369 L1434 | S1367-F1369 PolarHBondContact O-N 3.36Å; S1367-F1369 WeakPolarHBondContact OG-CD2 3.35Å; S1367-F1369 PolarHBondContact OG-N 2.7Å; S1367-L1434 WeakPolarHBondContact OG-CD1 3.02Å | ||
| 1368 | D | 59.5 | Low | 68.9 | Low | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.3 | -9.5 | 172.9 | -71 | -7.8 | 0 | 0 | 0 | 113.2 | Y1370 | D1368-Y1370 WeakPolarHBondContact O-CD2 3.33Å; D1368-Y1370 PolarHBondContact O-N 2.7Å |
| 1369 | F | 57.6 | Low | 68.8 | Low | 59 Ų | 59 | 62.3 Ų | 62.3 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | trans | -83.4 | 75.7 | -179.9 | -60.3 | -71.8 | 0 | 0 | 0 | 111.9 | S1367 M1439 | S1367-F1369 PolarHBondContact O-N 3.36Å; S1367-F1369 WeakPolarHBondContact OG-CD2 3.35Å; S1367-F1369 PolarHBondContact OG-N 2.7Å; F1369-M1439 HydrophobicContact CE2-CE 3.58Å; F1369-M1439 HydrophobicContact CE2-SD 3.92Å; F1369-M1439 HydrophobicContact CZ-CE 3.81Å; F1369-M1439 HydrophobicContact CZ-SD 4.04Å | ||
| 1370 | Y | 44.3 | Very low | 68.9 | Low | 216 Ų | 216 | 61.5 Ų | 61.5 | 85% | 0.847 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 138 | 166.9 | -67.5 | -88.8 | 0 | 0 | 0 | 111.4 | D1368 | D1368-Y1370 WeakPolarHBondContact O-CD2 3.33Å; D1368-Y1370 PolarHBondContact O-N 2.7Å |
| 1371 | G | 50.3 | Low | 69 | Low | 74 Ų | 74 | 64.1 Ų | 64.1 | 76% | 0.763 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | 13.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1372 | L | 52 | Low | 69.4 | Low | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | trans | -124.8 | 55.8 | 178.2 | -71.5 | 170.6 | 0 | 0 | 0 | 112.2 | S1374 D1375 R1435 | L1372-S1374 VanDerWaalsContact C-N 3.29Å; L1372-S1374 PolarHBondContact O-N 2.73Å; L1372-D1375 PolarHBondContact O-N 3.25Å; L1372-R1435 HydrophobicContact CD1-CG 4.11Å | ||
| 1373 | E | 50.8 | Low | 69.5 | Low | 165 Ų | 165 | 65.1 Ų | 65.1 | 77% | 0.771 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -68 | -22.9 | -175.1 | -61.3 | -170.2 | 138.2 | 0 | 0 | 114.4 | ||
| 1374 | S | 51.2 | Low | 69.5 | Low | 90 Ų | 90 | 65.7 Ų | 65.7 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -75.1 | -24.6 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | L1372 | L1372-S1374 VanDerWaalsContact C-N 3.29Å; L1372-S1374 PolarHBondContact O-N 2.73Å |
| 1375 | D | 61.4 | Low | 69.6 | Low | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -104.3 | 17.9 | -161.8 | -75.7 | 40.7 | 0 | 0 | 0 | 112.8 | L1372 L1434 | L1372-D1375 PolarHBondContact O-N 3.25Å; D1375-L1434 WeakPolarHBondContact O-CA 3.11Å |
| 1376 | R | 71.6 | Confident | 69.7 | Low | 42 Ų | 42 | 69.1 Ų | 69.1 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | trans | -104.5 | 104.9 | -175.3 | -66 | -175.5 | 177.8 | -159.4 | -5.4 | 111.5 | E1406 L1434 | R1376-E1406 HydrophobicContact CB-CB 4.06Å; R1376-E1406 WeakPolarHBondContact CD-OE2 3.49Å; R1376-E1406 IonicContact CZ-OE2 3.73Å; R1376-E1406 IonicContact NE-OE2 2.74Å; R1376-E1406 IonicContact NH1-OE2 3.81Å; R1376-E1406 PolarHBondContact NH1-OE2 2.74Å; R1376-E1406 PolarHBondContact O-N 2.87Å; R1376-L1434 HydrophobicContact CG-CD2 3.77Å; R1376-L1434 HydrophobicContact CG-CG 4.29Å | ||
| 1377 | A | 77.4 | Confident | 69.9 | Low | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 163.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1404 L1433 | A1377-F1404 CarbonylContact C-O 3.55Å; A1377-F1404 VanDerWaalsContact CA-O 3.32Å; A1377-F1404 WeakPolarHBondContact CA-O 3.2Å; A1377-L1433 HydrophobicContact CB-CB 4.16Å; A1377-L1433 HydrophobicContact CB-CD1 4.29Å; A1377-L1433 PolarHBondContact N-O 2.81Å; A1377-L1433 PolarHBondContact O-N 3.35Å |
| 1378 | V | 85.7 | Confident | 71 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.8 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | I1363 I1365 H1403 F1404 L1430 A1431 | I1363-V1378 HydrophobicContact CG2-CG2 4.45Å; I1365-V1378 HydrophobicContact CD1-CG2 3.84Å; I1365-V1378 HydrophobicContact CG1-CG2 4.5Å; V1378-H1403 CarbonylContact O-C 3.05Å; V1378-H1403 WeakPolarHBondContact O-CA 3.4Å; V1378-H1403 WeakPolarHBondContact O-CB 3.34Å; V1378-F1404 HydrophobicContact CB-CD1 4.46Å; V1378-F1404 HydrophobicContact CB-CD2 4.14Å; V1378-F1404 HydrophobicContact CB-CE1 4.08Å; V1378-F1404 HydrophobicContact CB-CE2 3.7Å; V1378-F1404 HydrophobicContact CB-CZ 3.68Å; V1378-F1404 HydrophobicContact CG1-CE1 4.02Å; V1378-F1404 HydrophobicContact CG1-CE2 4.12Å; V1378-F1404 HydrophobicContact CG1-CZ 3.63Å; V1378-F1404 HydrophobicContact CG2-CD2 4.45Å; V1378-F1404 HydrophobicContact CG2-CE2 3.92Å; V1378-F1404 HydrophobicContact CG2-CZ 4.29Å; V1378-F1404 PolarHBondContact N-O 2.96Å; V1378-F1404 PolarHBondContact O-N 3.14Å; V1378-L1430 HydrophobicContact CG1-CB 3.92Å; V1378-L1430 HydrophobicContact CG1-CD1 4.29Å; V1378-L1430 HydrophobicContact CG1-CD2 4.16Å; V1378-L1430 HydrophobicContact CG1-CG 4.36Å; V1378-A1431 CarbonylContact C-O 3.26Å; V1378-A1431 WeakPolarHBondContact CA-O 3.44Å |
| 1379 | A | 83.8 | Confident | 72.3 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 143.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1430 A1431 L1433 | A1379-L1430 WeakPolarHBondContact O-CA 3.33Å; A1379-A1431 PolarHBondContact N-O 3.04Å; A1379-A1431 PolarHBondContact O-N 3.11Å; A1379-L1433 HydrophobicContact CB-CD1 3.72Å; A1379-L1433 HydrophobicContact CB-CG 4.23Å |
| 1380 | V | 86.7 | Confident | 73.7 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.2 | 166.3 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | T1382 L1389 I1401 N1402 F1404 L1430 | V1380-T1382 WeakPolarHBondContact CG1-O 3.11Å; V1380-L1389 HydrophobicContact CG1-CD1 4.11Å; V1380-L1389 HydrophobicContact CG2-CD1 3.95Å; V1380-I1401 HydrophobicContact CG2-CG2 3.87Å; V1380-N1402 PolarHBondContact N-O 3.02Å; V1380-F1404 HydrophobicContact CG2-CD1 4.38Å; V1380-F1404 HydrophobicContact CG2-CE1 4.05Å; V1380-L1430 HydrophobicContact CG2-CD2 4.05Å |
| 1381 | L | 80.6 | Confident | 75.4 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -88.6 | -38.5 | -177.7 | -64.6 | 179 | 0 | 0 | 0 | 112 | S1429 A1431 P1443 | L1381-S1429 WeakPolarHBondContact CB-O 2.84Å; L1381-S1429 PolarHBondContact N-O 3.39Å; L1381-A1431 HydrophobicContact CD1-CB 3.71Å; L1381-A1431 HydrophobicContact CD2-CB 4.46Å; L1381-A1431 HydrophobicContact CG-CB 4.15Å; L1381-P1443 HydrophobicContact CD1-CB 3.74Å; L1381-P1443 HydrophobicContact CD1-CG 3.84Å |
| 1382 | T | 84.5 | Confident | 76.4 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -128.1 | 141 | 168.2 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | V1380 F1428 S1429 | V1380-T1382 WeakPolarHBondContact CG1-O 3.11Å; T1382-F1428 WeakPolarHBondContact O-CB 3.2Å; T1382-S1429 PolarHBondContact N-O 2.92Å; T1382-S1429 WeakPolarHBondContact OG1-CB 3.06Å; T1382-S1429 PolarHBondContact OG1-N 3.14Å; T1382-S1429 PolarHBondContact OG1-OG 3.19Å |
| 1383 | Q | 84.7 | Confident | 76.9 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | trans | -82.3 | 157.9 | 170.9 | -64 | -68.2 | -17.9 | 0 | 0 | 109.3 | I1401 | Q1383-I1401 PolarHBondContact NE2-O 2.97Š| ||
| 1384 | P | 87.2 | Confident | 77.1 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | trans | -64.9 | 151.9 | 176.9 | -9.2 | 23.3 | 0 | 0 | 0 | 112.1 | G1387 L1389 Y1416 D1426 E1427 F1428 | P1384-G1387 WeakPolarHBondContact CB-O 3.14Å; P1384-L1389 HydrophobicContact CG-CG 4.17Å; P1384-Y1416 HydrophobicContact CB-CE2 3.84Å; P1384-Y1416 HydrophobicContact CG-CD2 4.12Å; P1384-Y1416 HydrophobicContact CG-CE2 3.89Å; P1384-D1426 VanDerWaalsContact CB-OD2 3.25Å; P1384-D1426 WeakPolarHBondContact CB-OD2 3.1Å; P1384-E1427 WeakPolarHBondContact CA-O 3.15Å; P1384-F1428 HydrophobicContact CB-CB 4.39Å; P1384-F1428 HydrophobicContact CB-CD1 4.21Å; P1384-F1428 HydrophobicContact CG-CB 4.03Å; P1384-F1428 HydrophobicContact CG-CD1 3.83Å; P1384-F1428 HydrophobicContact CG-CG 4.1Å | ||
| 1385 | S | 80.9 | Confident | 76.9 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 62% | 0.622 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -86.1 | -29.7 | -179.4 | -65 | 0 | 0 | 0 | 0 | 112.9 | D1426 | S1385-D1426 WeakPolarHBondContact CA-OD1 3.43Å; S1385-D1426 WeakPolarHBondContact CB-OD1 3.25Å; S1385-D1426 PolarHBondContact N-OD1 3.45Å |
| 1386 | Y | 78.6 | Confident | 76.2 | Confident | 94 Ų | 94 | 59 Ų | 59 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -125.1 | 28.1 | 179.9 | -57.4 | -76.7 | 0 | 0 | 0 | 112.1 | H1418 E1419 S1423 D1426 | Y1386-H1418 PolarHBondContact O-CE1 2.94Å; Y1386-H1418 PolarHBondContact O-ND1 2.89Å; Y1386-E1419 PolarHBondContact O-N 2.64Å; Y1386-S1423 VanDerWaalsContact CE2-CB 3.43Å; Y1386-D1426 VanDerWaalsContact C-OD2 3.26Å; Y1386-D1426 HydrophobicContact CD2-CB 4.32Å; Y1386-D1426 VanDerWaalsContact N-CG 3.29Å; Y1386-D1426 PolarHBondContact N-OD1 3.37Å; Y1386-D1426 PolarHBondContact N-OD2 2.98Å |
| 1387 | G | 76.4 | Confident | 75.4 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1384 I1417 D1426 | P1384-G1387 WeakPolarHBondContact CB-O 3.14Å; G1387-I1417 CarbonylContact C-O 3.57Å; G1387-I1417 WeakPolarHBondContact CA-O 3.2Å; G1387-D1426 PolarHBondContact N-OD2 3.21Å |
| 1388 | R | 85.6 | Confident | 74.5 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.2 | 177.3 | 61.4 | 173.4 | 179.1 | -115.6 | -13 | 112.7 | V1390 I1417 E1419 | R1388-V1390 HydrophobicContact CG-CG2 4.1Å; R1388-I1417 HydrophobicContact CG-CB 4.13Å; R1388-I1417 PolarHBondContact N-O 2.69Å; R1388-I1417 PolarHBondContact O-N 2.86Å; R1388-E1419 WeakPolarHBondContact CD-OE1 3.48Å; R1388-E1419 WeakPolarHBondContact CG-OE1 3.41Å; R1388-E1419 IonicContact CZ-OE1 3.67Å; R1388-E1419 IonicContact NE-OE1 3.03Å; R1388-E1419 PolarHBondContact NE-OE1 3.36Å; R1388-E1419 IonicContact NH1-OE1 3.88Å; R1388-E1419 PolarHBondContact NH1-OE1 3.39Å |
| 1389 | L | 87.6 | Confident | 73.2 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.2 | 173.3 | -57.1 | 173 | 0 | 0 | 0 | 110.1 | L1358 V1380 P1384 I1401 W1415 Y1416 F1428 | L1358-L1389 HydrophobicContact CD1-CD2 3.98Å; V1380-L1389 HydrophobicContact CG1-CD1 4.11Å; V1380-L1389 HydrophobicContact CG2-CD1 3.95Å; P1384-L1389 HydrophobicContact CG-CG 4.17Å; L1389-I1401 VanDerWaalsContact C-CD1 3.48Å; L1389-I1401 HydrophobicContact CB-CD1 3.82Å; L1389-W1415 CarbonylContact C-O 2.81Å; L1389-W1415 VanDerWaalsContact CA-O 3.32Å; L1389-W1415 WeakPolarHBondContact CA-O 3.44Å; L1389-Y1416 HydrophobicContact CD2-CD2 4.07Å; L1389-F1428 HydrophobicContact CD1-CD2 3.85Å; L1389-F1428 HydrophobicContact CD1-CE2 3.92Å; L1389-F1428 HydrophobicContact CD1-CG 4.43Å; L1389-F1428 HydrophobicContact CD2-CD2 4.47Å; L1389-F1428 HydrophobicContact CD2-CE1 4.18Å; L1389-F1428 HydrophobicContact CD2-CE2 3.93Å; L1389-F1428 HydrophobicContact CD2-CZ 3.76Å |
| 1390 | V | 85.4 | Confident | 72 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.9 | -173.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | R1388 Y1397 W1415 I1417 | R1388-V1390 HydrophobicContact CG-CG2 4.1Å; V1390-Y1397 HydrophobicContact CG1-CD1 3.77Å; V1390-Y1397 HydrophobicContact CG1-CG 4.4Å; V1390-W1415 PolarHBondContact N-O 2.8Å; V1390-W1415 PolarHBondContact O-N 2.79Å; V1390-I1417 HydrophobicContact CB-CD1 4.26Å; V1390-I1417 HydrophobicContact CG2-CD1 3.75Å; V1390-I1417 HydrophobicContact CG2-CG1 4.37Å |
| 1391 | I | 80 | Confident | 71.4 | Confident | 20 Ų | 20 | 79 Ų | 79 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.3 | 170.3 | -74 | 161.5 | 0 | 0 | 0 | 108.6 | K1393 Y1397 D1398 I1401 F1404 N1413 V1414 | I1391-K1393 HydrophobicContact CG2-CB 4.36Å; I1391-K1393 HydrophobicContact CG2-CD 3.81Å; I1391-K1393 HydrophobicContact CG2-CG 3.76Å; I1391-Y1397 WeakPolarHBondContact O-CA 3.32Å; I1391-D1398 HydrophobicContact CB-CB 4.42Å; I1391-D1398 PolarHBondContact O-N 3.08Å; I1391-D1398 VanDerWaalsContact O-N 3.13Å; I1391-I1401 HydrophobicContact CB-CD1 4.48Å; I1391-I1401 HydrophobicContact CD1-CD1 4.08Å; I1391-I1401 HydrophobicContact CD1-CG1 4.03Å; I1391-I1401 HydrophobicContact CG1-CD1 3.66Å; I1391-I1401 HydrophobicContact CG1-CG1 4.04Å; I1391-F1404 HydrophobicContact CD1-CB 4.14Å; I1391-N1413 CarbonylContact C-O 3.6Å; I1391-N1413 WeakPolarHBondContact CA-O 3.34Å; I1391-N1413 HydrophobicContact CG2-CB 4.48Å; I1391-V1414 HydrophobicContact CG1-CG2 4.39Å |
| 1392 | E | 71.3 | Confident | 71.2 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 91.8 | 175.4 | -177.2 | 164.2 | -142 | 0 | 0 | 109.8 | R1355 Y1397 N1413 | R1355-E1392 IonicContact CZ-OE2 2.88Å; R1355-E1392 IonicContact NH1-OE1 3.53Å; R1355-E1392 IonicContact NH1-OE2 2.88Å; R1355-E1392 PolarHBondContact NH1-OE2 3.13Å; R1355-E1392 IonicContact NH2-OE2 3.51Å; R1355-E1392 PolarHBondContact NH2-OE2 3.35Å; E1392-Y1397 HydrophobicContact CB-CD1 4.26Å; E1392-Y1397 HydrophobicContact CB-CE1 4.05Å; E1392-Y1397 VanDerWaalsContact CD-CE1 3.46Å; E1392-Y1397 HydrophobicContact CG-CD1 4.3Å; E1392-Y1397 HydrophobicContact CG-CE1 3.7Å; E1392-Y1397 WeakPolarHBondContact OE1-CE1 3.23Å; E1392-Y1397 VanDerWaalsContact OE1-CZ 3.24Å; E1392-Y1397 PolarHBondContact OE1-OH 2.71Å; E1392-N1413 PolarHBondContact N-O 2.91Å |
| 1393 | K | 64.1 | Low | 71.1 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.4 | 177 | -80 | 174.9 | -179.4 | 168.7 | 0 | 110.5 | I1391 G1395 K1396 D1408 N1413 | I1391-K1393 HydrophobicContact CG2-CB 4.36Å; I1391-K1393 HydrophobicContact CG2-CD 3.81Å; I1391-K1393 HydrophobicContact CG2-CG 3.76Å; K1393-G1395 PolarHBondContact O-N 3.05Å; K1393-G1395 VanDerWaalsContact O-N 3.13Å; K1393-K1396 PolarHBondContact N-O 2.65Å; K1393-K1396 VanDerWaalsContact N-O 3.08Å; K1393-K1396 PolarHBondContact O-N 3.31Å; K1393-D1408 WeakPolarHBondContact CE-OD1 3.04Å; K1393-D1408 VanDerWaalsContact NZ-CG 3.3Å; K1393-D1408 IonicContact NZ-OD1 3.94Å; K1393-D1408 PolarHBondContact NZ-OD1 3.13Å; K1393-D1408 IonicContact NZ-OD2 3.98Å; K1393-D1408 PolarHBondContact NZ-OD2 3.27Å; K1393-N1413 WeakPolarHBondContact CE-ND2 3.21Å; K1393-N1413 HydrophobicContact CG-CB 4.31Å |
| 1394 | Q | 54.4 | Low | 71.2 | Confident | 206 Ų | 206 | 76.4 Ų | 76.4 | 96% | 0.963 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.3 | 177 | -58.8 | -178.6 | -9.4 | 0 | 0 | 114.2 | K1396 | Q1394-K1396 VanDerWaalsContact C-N 3.29Å; Q1394-K1396 PolarHBondContact O-N 2.7Å |
| 1395 | G | 46.7 | Very low | 70.9 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 11.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1393 | K1393-G1395 PolarHBondContact O-N 3.05Å; K1393-G1395 VanDerWaalsContact O-N 3.13Å |
| 1396 | K | 47 | Very low | 70.7 | Confident | 168 Ų | 168 | 76.6 Ų | 76.6 | 73% | 0.73 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.3 | 160 | -70 | -177.6 | 177.7 | 178.9 | 0 | 109.4 | K1393 Q1394 | K1393-K1396 PolarHBondContact N-O 2.65Å; K1393-K1396 VanDerWaalsContact N-O 3.08Å; K1393-K1396 PolarHBondContact O-N 3.31Å; Q1394-K1396 VanDerWaalsContact C-N 3.29Å; Q1394-K1396 PolarHBondContact O-N 2.7Å |
| 1397 | Y | 54.6 | Low | 70.6 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 38% | 0.376 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.8 | 168.3 | -59 | -69.5 | 0 | 0 | 0 | 109 | M1 V1390 I1391 E1392 | M1-Y1397 HydrophobicContact CE-CE1 4.21Å; V1390-Y1397 HydrophobicContact CG1-CD1 3.77Å; V1390-Y1397 HydrophobicContact CG1-CG 4.4Å; I1391-Y1397 WeakPolarHBondContact O-CA 3.32Å; E1392-Y1397 HydrophobicContact CB-CD1 4.26Å; E1392-Y1397 HydrophobicContact CB-CE1 4.05Å; E1392-Y1397 VanDerWaalsContact CD-CE1 3.46Å; E1392-Y1397 HydrophobicContact CG-CD1 4.3Å; E1392-Y1397 HydrophobicContact CG-CE1 3.7Å; E1392-Y1397 WeakPolarHBondContact OE1-CE1 3.23Å; E1392-Y1397 VanDerWaalsContact OE1-CZ 3.24Å; E1392-Y1397 PolarHBondContact OE1-OH 2.71Å |
| 1398 | D | 58.3 | Low | 70.9 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.2 | 162.3 | -152.4 | -32 | 0 | 0 | 0 | 109.5 | I1391 Q1400 | I1391-D1398 HydrophobicContact CB-CB 4.42Å; I1391-D1398 PolarHBondContact O-N 3.08Å; I1391-D1398 VanDerWaalsContact O-N 3.13Å; D1398-Q1400 PolarHBondContact OD1-N 3.07Å |
| 1399 | F | 59.7 | Low | 70.8 | Confident | 153 Ų | 153 | 68.6 Ų | 68.6 | 67% | 0.671 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -100 | -7.1 | -169.5 | -65.9 | -86.1 | 0 | 0 | 0 | 113.4 | ||
| 1400 | Q | 58.2 | Low | 70 | Confident | 154 Ų | 154 | 74.4 Ų | 74.4 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | trans | -135.1 | 77.9 | 176.8 | -72 | -170.1 | -41.1 | 0 | 0 | 111 | D1398 N1402 | D1398-Q1400 PolarHBondContact OD1-N 3.07Å; Q1400-N1402 PolarHBondContact O-N 2.98Å; Q1400-N1402 VanDerWaalsContact O-N 3.1Å | ||
| 1401 | I | 72.7 | Confident | 69.5 | Low | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | trans | -69.3 | 107.6 | 168.5 | -55.5 | -178.3 | 0 | 0 | 0 | 109.3 | V1380 Q1383 L1389 I1391 F1404 V1414 | V1380-I1401 HydrophobicContact CG2-CG2 3.87Å; Q1383-I1401 PolarHBondContact NE2-O 2.97Å; L1389-I1401 VanDerWaalsContact C-CD1 3.48Å; L1389-I1401 HydrophobicContact CB-CD1 3.82Å; I1391-I1401 HydrophobicContact CB-CD1 4.48Å; I1391-I1401 HydrophobicContact CD1-CD1 4.08Å; I1391-I1401 HydrophobicContact CD1-CG1 4.03Å; I1391-I1401 HydrophobicContact CG1-CD1 3.66Å; I1391-I1401 HydrophobicContact CG1-CG1 4.04Å; I1401-F1404 HydrophobicContact CG2-CB 4.49Å; I1401-F1404 HydrophobicContact CG2-CD1 3.73Å; I1401-V1414 HydrophobicContact CD1-CG1 4.2Å | ||
| 1402 | N | 77.2 | Confident | 69.3 | Low | 101 Ų | 101 | 82.3 Ų | 82.3 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -96.3 | -24.5 | 163.8 | -62.1 | -30.3 | 0 | 0 | 0 | 111.6 | V1380 Q1400 | V1380-N1402 PolarHBondContact N-O 3.02Å; Q1400-N1402 PolarHBondContact O-N 2.98Å; Q1400-N1402 VanDerWaalsContact O-N 3.1Å |
| 1403 | H | 82.5 | Confident | 69.8 | Low | 88 Ų | 88 | 81.6 Ų | 81.6 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156 | 173.5 | 61.5 | -81.6 | 0 | 0 | 0 | 111.7 | V1378 | V1378-H1403 CarbonylContact O-C 3.05Å; V1378-H1403 WeakPolarHBondContact O-CA 3.4Å; V1378-H1403 WeakPolarHBondContact O-CB 3.34Å |
| 1404 | F | 86.1 | Confident | 70.9 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.009 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.7 | 172.8 | 55 | -86.1 | 0 | 0 | 0 | 110.4 | I1363 A1377 V1378 V1380 I1391 I1401 D1408 L1409 V1414 L1430 | I1363-F1404 HydrophobicContact CD1-CE2 4.12Å; I1363-F1404 HydrophobicContact CD1-CZ 3.83Å; A1377-F1404 CarbonylContact C-O 3.55Å; A1377-F1404 VanDerWaalsContact CA-O 3.32Å; A1377-F1404 WeakPolarHBondContact CA-O 3.2Å; V1378-F1404 HydrophobicContact CB-CD1 4.46Å; V1378-F1404 HydrophobicContact CB-CD2 4.14Å; V1378-F1404 HydrophobicContact CB-CE1 4.08Å; V1378-F1404 HydrophobicContact CB-CE2 3.7Å; V1378-F1404 HydrophobicContact CB-CZ 3.68Å; V1378-F1404 HydrophobicContact CG1-CE1 4.02Å; V1378-F1404 HydrophobicContact CG1-CE2 4.12Å; V1378-F1404 HydrophobicContact CG1-CZ 3.63Å; V1378-F1404 HydrophobicContact CG2-CD2 4.45Å; V1378-F1404 HydrophobicContact CG2-CE2 3.92Å; V1378-F1404 HydrophobicContact CG2-CZ 4.29Å; V1378-F1404 PolarHBondContact N-O 2.96Å; V1378-F1404 PolarHBondContact O-N 3.14Å; V1380-F1404 HydrophobicContact CG2-CD1 4.38Å; V1380-F1404 HydrophobicContact CG2-CE1 4.05Å; I1391-F1404 HydrophobicContact CD1-CB 4.14Å; I1401-F1404 HydrophobicContact CG2-CB 4.49Å; I1401-F1404 HydrophobicContact CG2-CD1 3.73Å; F1404-D1408 HydrophobicContact CB-CB 4.37Å; F1404-L1409 HydrophobicContact CD2-CD2 4.37Å; F1404-L1409 HydrophobicContact CD2-CG 4.27Å; F1404-L1409 HydrophobicContact CE2-CD1 4.07Å; F1404-L1409 HydrophobicContact CE2-CD2 3.83Å; F1404-L1409 HydrophobicContact CE2-CG 3.95Å; F1404-V1414 HydrophobicContact CB-CG2 4.33Å; F1404-V1414 HydrophobicContact CD2-CG2 4.03Å; F1404-V1414 HydrophobicContact CG-CG2 4.22Å; F1404-L1430 HydrophobicContact CE1-CD2 4.28Å; F1404-L1430 HydrophobicContact CZ-CD2 4.44Å |
| 1405 | H | 82.2 | Confident | 72.5 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 159.2 | -176.7 | -67.6 | 40.7 | 0 | 0 | 0 | 111.6 | G1407 D1408 | H1405-G1407 PolarHBondContact O-N 3.1Å; H1405-G1407 VanDerWaalsContact O-N 3.16Å; H1405-D1408 PolarHBondContact N-OD2 2.83Å; H1405-D1408 VanDerWaalsContact N-OD2 3.1Å; H1405-D1408 WeakPolarHBondContact O-CB 3.31Å; H1405-D1408 PolarHBondContact O-N 2.94Å |
| 1406 | E | 75.3 | Confident | 74.6 | Confident | 25 Ų | 25 | 67 Ų | 67 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -32.9 | 176.7 | -161.7 | -165.4 | 101.7 | 0 | 0 | 111.9 | I1365 R1376 D1408 L1409 K1410 | I1365-E1406 HydrophobicContact CD1-CB 4.39Å; I1365-E1406 HydrophobicContact CD1-CG 4.27Å; R1376-E1406 HydrophobicContact CB-CB 4.06Å; R1376-E1406 WeakPolarHBondContact CD-OE2 3.49Å; R1376-E1406 IonicContact CZ-OE2 3.73Å; R1376-E1406 IonicContact NE-OE2 2.74Å; R1376-E1406 IonicContact NH1-OE2 3.81Å; R1376-E1406 PolarHBondContact NH1-OE2 2.74Å; R1376-E1406 PolarHBondContact O-N 2.87Å; E1406-D1408 VanDerWaalsContact C-N 3.25Å; E1406-D1408 PolarHBondContact O-N 2.99Å; E1406-L1409 PolarHBondContact O-N 2.79Å; E1406-K1410 PolarHBondContact O-N 3.22Å; E1406-K1410 WeakPolarHBondContact OE1-CE 3.08Å; E1406-K1410 IonicContact OE1-NZ 3.92Å; E1406-K1410 PolarHBondContact OE1-NZ 2.99Å |
| 1407 | G | 76.4 | Confident | 76.4 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -27 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1405 L1409 K1410 F1411 | H1405-G1407 PolarHBondContact O-N 3.1Å; H1405-G1407 VanDerWaalsContact O-N 3.16Å; G1407-L1409 VanDerWaalsContact C-N 3.35Å; G1407-K1410 PolarHBondContact O-N 2.85Å; G1407-F1411 WeakPolarHBondContact O-CB 3.11Å; G1407-F1411 WeakPolarHBondContact O-CD2 3.07Å; G1407-F1411 PolarHBondContact O-N 3.24Å |
| 1408 | D | 83.4 | Confident | 77.5 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.7 | -28.6 | 179.6 | -66.6 | -38.8 | 0 | 0 | 0 | 112.7 | K1393 F1404 H1405 E1406 G1412 N1413 V1414 | K1393-D1408 WeakPolarHBondContact CE-OD1 3.04Å; K1393-D1408 VanDerWaalsContact NZ-CG 3.3Å; K1393-D1408 IonicContact NZ-OD1 3.94Å; K1393-D1408 PolarHBondContact NZ-OD1 3.13Å; K1393-D1408 IonicContact NZ-OD2 3.98Å; K1393-D1408 PolarHBondContact NZ-OD2 3.27Å; F1404-D1408 HydrophobicContact CB-CB 4.37Å; H1405-D1408 PolarHBondContact N-OD2 2.83Å; H1405-D1408 VanDerWaalsContact N-OD2 3.1Å; H1405-D1408 WeakPolarHBondContact O-CB 3.31Å; H1405-D1408 PolarHBondContact O-N 2.94Å; E1406-D1408 VanDerWaalsContact C-N 3.25Å; E1406-D1408 PolarHBondContact O-N 2.99Å; D1408-G1412 PolarHBondContact O-N 3.02Å; D1408-N1413 HydrophobicContact CB-CB 4.25Å; D1408-N1413 WeakPolarHBondContact O-CB 3.04Å; D1408-N1413 PolarHBondContact O-N 3.19Å; D1408-N1413 PolarHBondContact OD1-ND2 2.97Å; D1408-V1414 HydrophobicContact CB-CG2 3.73Å |
| 1409 | L | 83.7 | Confident | 78 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.6 | -48.8 | 168.1 | -61.4 | 171.9 | 0 | 0 | 0 | 110.6 | L1358 I1363 F1404 E1406 G1407 F1411 G1412 V1414 | L1358-L1409 HydrophobicContact CB-CD2 4.13Å; L1358-L1409 WeakPolarHBondContact O-CD2 3.06Å; I1363-L1409 HydrophobicContact CB-CD1 3.8Å; I1363-L1409 HydrophobicContact CD1-CD1 4.41Å; I1363-L1409 HydrophobicContact CD1-CD2 4.04Å; I1363-L1409 HydrophobicContact CG2-CD1 4.03Å; F1404-L1409 HydrophobicContact CD2-CD2 4.37Å; F1404-L1409 HydrophobicContact CD2-CG 4.27Å; F1404-L1409 HydrophobicContact CE2-CD1 4.07Å; F1404-L1409 HydrophobicContact CE2-CD2 3.83Å; F1404-L1409 HydrophobicContact CE2-CG 3.95Å; E1406-L1409 PolarHBondContact O-N 2.79Å; G1407-L1409 VanDerWaalsContact C-N 3.35Å; L1409-F1411 PolarHBondContact O-N 2.67Å; L1409-G1412 PolarHBondContact O-N 3.08Å; L1409-V1414 HydrophobicContact CD2-CB 4.39Å; L1409-V1414 HydrophobicContact CD2-CG2 4.3Å |
| 1410 | K | 71.7 | Confident | 77.8 | Confident | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -29.1 | -179 | -75.6 | 175.4 | 164.6 | 169.5 | 0 | 114.1 | S1360 E1406 G1407 | S1360-K1410 WeakPolarHBondContact OG-CG 3.15Å; E1406-K1410 PolarHBondContact O-N 3.22Å; E1406-K1410 WeakPolarHBondContact OE1-CE 3.08Å; E1406-K1410 IonicContact OE1-NZ 3.92Å; E1406-K1410 PolarHBondContact OE1-NZ 2.99Å; G1407-K1410 PolarHBondContact O-N 2.85Å |
| 1411 | F | 74.8 | Confident | 77.7 | Confident | 167 Ų | 167 | 49 Ų | 49 | 73% | 0.732 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 4.4 | 175.8 | -65.5 | -56.3 | 0 | 0 | 0 | 114.4 | G1407 L1409 | G1407-F1411 WeakPolarHBondContact O-CB 3.11Å; G1407-F1411 WeakPolarHBondContact O-CD2 3.07Å; G1407-F1411 PolarHBondContact O-N 3.24Å; L1409-F1411 PolarHBondContact O-N 2.67Å |
| 1412 | G | 75.4 | Confident | 76.9 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1357 D1408 L1409 | L1357-G1412 WeakPolarHBondContact CD1-O 3.19Å; D1408-G1412 PolarHBondContact O-N 3.02Å; L1409-G1412 PolarHBondContact O-N 3.08Å |
| 1413 | N | 82 | Confident | 76.1 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | trans | -88 | -21 | -177.6 | -65.1 | -41.4 | 0 | 0 | 0 | 113.7 | I1391 E1392 K1393 D1408 | I1391-N1413 CarbonylContact C-O 3.6Å; I1391-N1413 WeakPolarHBondContact CA-O 3.34Å; I1391-N1413 HydrophobicContact CG2-CB 4.48Å; E1392-N1413 PolarHBondContact N-O 2.91Å; K1393-N1413 WeakPolarHBondContact CE-ND2 3.21Å; K1393-N1413 HydrophobicContact CG-CB 4.31Å; D1408-N1413 HydrophobicContact CB-CB 4.25Å; D1408-N1413 WeakPolarHBondContact O-CB 3.04Å; D1408-N1413 PolarHBondContact O-N 3.19Å; D1408-N1413 PolarHBondContact OD1-ND2 2.97Å | ||
| 1414 | V | 86.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.3 | -169 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | L1357 L1358 I1391 I1401 F1404 D1408 L1409 | L1357-V1414 VanDerWaalsContact CD1-O 3.31Å; L1357-V1414 WeakPolarHBondContact CD1-O 3.43Å; L1358-V1414 HydrophobicContact CB-CB 4.42Å; L1358-V1414 HydrophobicContact CB-CG1 4.48Å; L1358-V1414 HydrophobicContact CD1-CG1 4.15Å; L1358-V1414 PolarHBondContact N-O 3.13Å; I1391-V1414 HydrophobicContact CG1-CG2 4.39Å; I1401-V1414 HydrophobicContact CD1-CG1 4.2Å; F1404-V1414 HydrophobicContact CB-CG2 4.33Å; F1404-V1414 HydrophobicContact CD2-CG2 4.03Å; F1404-V1414 HydrophobicContact CG-CG2 4.22Å; D1408-V1414 HydrophobicContact CB-CG2 3.73Å; L1409-V1414 HydrophobicContact CD2-CB 4.39Å; L1409-V1414 HydrophobicContact CD2-CG2 4.3Å |
| 1415 | W | 88.3 | Confident | 74.8 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.6 | -177.4 | -62.7 | 78.7 | 0 | 0 | 0 | 112.1 | R1355 V1356 L1357 L1389 V1390 | R1355-W1415 HydrophobicContact CB-CE3 4.29Å; R1355-W1415 VanDerWaalsContact CD-CE3 3.47Å; R1355-W1415 HydrophobicContact CG-CE3 3.77Å; R1355-W1415 HydrophobicContact CG-CZ3 3.95Å; V1356-W1415 WeakPolarHBondContact O-CA 3.32Å; L1357-W1415 HydrophobicContact CB-CD2 4.37Å; L1357-W1415 HydrophobicContact CB-CE3 4.04Å; L1357-W1415 HydrophobicContact CB-CH2 4.19Å; L1357-W1415 HydrophobicContact CB-CZ3 3.94Å; L1357-W1415 HydrophobicContact CD1-CD2 3.92Å; L1357-W1415 HydrophobicContact CD1-CE3 4.42Å; L1357-W1415 HydrophobicContact CD1-CG 4.32Å; L1357-W1415 HydrophobicContact CD1-CH2 4.37Å; L1357-W1415 HydrophobicContact CD1-CZ2 3.86Å; L1389-W1415 CarbonylContact C-O 2.81Å; L1389-W1415 VanDerWaalsContact CA-O 3.32Å; L1389-W1415 WeakPolarHBondContact CA-O 3.44Å; V1390-W1415 PolarHBondContact N-O 2.8Å; V1390-W1415 PolarHBondContact O-N 2.79Å |
| 1416 | Y | 89.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.8 | 159 | 171.6 | -90.9 | 0 | 0 | 0 | 109.6 | L1348 V1350 R1355 V1356 P1384 L1389 H1418 D1426 F1428 V1448 | L1348-Y1416 HydrophobicContact CD2-CD1 4.11Å; L1348-Y1416 HydrophobicContact CD2-CG 4.07Å; V1350-Y1416 HydrophobicContact CB-CE1 4.43Å; V1350-Y1416 HydrophobicContact CG1-CD1 4.46Å; V1350-Y1416 HydrophobicContact CG1-CE1 4.14Å; V1350-Y1416 HydrophobicContact CG2-CD1 3.94Å; V1350-Y1416 HydrophobicContact CG2-CE1 3.95Å; R1355-Y1416 CarbonylContact C-O 2.9Å; R1355-Y1416 VanDerWaalsContact CA-O 3.25Å; R1355-Y1416 WeakPolarHBondContact CA-O 3.29Å; R1355-Y1416 WeakPolarHBondContact CB-O 3.2Å; V1356-Y1416 PolarHBondContact N-O 2.93Å; V1356-Y1416 PolarHBondContact O-N 3.47Å; P1384-Y1416 HydrophobicContact CB-CE2 3.84Å; P1384-Y1416 HydrophobicContact CG-CD2 4.12Å; P1384-Y1416 HydrophobicContact CG-CE2 3.89Å; L1389-Y1416 HydrophobicContact CD2-CD2 4.07Å; Y1416-H1418 HydrophobicContact CE1-CB 3.87Å; Y1416-H1418 PolarHBondContact OH-ND1 3.28Å; Y1416-D1426 WeakPolarHBondContact CE2-OD2 3.35Å; Y1416-D1426 PolarHBondContact OH-OD2 3.03Å; Y1416-F1428 HydrophobicContact CD2-CD1 4.44Å; Y1416-F1428 AromaticContact CD2-CE1 3.87Å; Y1416-F1428 HydrophobicContact CD2-CE1 3.87Å; Y1416-F1428 HydrophobicContact CE2-CE1 4.34Å; Y1416-V1448 HydrophobicContact CD1-CG1 4.48Å; Y1416-V1448 HydrophobicContact CE1-CG1 3.84Å; Y1416-V1448 HydrophobicContact CE2-CG2 4.29Å |
| 1417 | I | 85.2 | Confident | 75.4 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 118.1 | 177.1 | -50.1 | -176.8 | 0 | 0 | 0 | 108.1 | R1355 G1387 R1388 V1390 | R1355-I1417 HydrophobicContact CB-CB 4.43Å; R1355-I1417 HydrophobicContact CB-CG1 3.94Å; R1355-I1417 HydrophobicContact CB-CG2 4.46Å; G1387-I1417 CarbonylContact C-O 3.57Å; G1387-I1417 WeakPolarHBondContact CA-O 3.2Å; R1388-I1417 HydrophobicContact CG-CB 4.13Å; R1388-I1417 PolarHBondContact N-O 2.69Å; R1388-I1417 PolarHBondContact O-N 2.86Å; V1390-I1417 HydrophobicContact CB-CD1 4.26Å; V1390-I1417 HydrophobicContact CG2-CD1 3.75Å; V1390-I1417 HydrophobicContact CG2-CG1 4.37Å |
| 1418 | H | 78.5 | Confident | 76.1 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.2 | 173.8 | -170.6 | 62.4 | 0 | 0 | 0 | 110.5 | V1350 Q1354 Y1386 Y1416 I1450 | V1350-H1418 HydrophobicContact CG1-CB 4.13Å; Q1354-H1418 PolarHBondContact O-N 2.62Å; Q1354-H1418 VanDerWaalsContact O-N 3.16Å; Y1386-H1418 PolarHBondContact O-CE1 2.94Å; Y1386-H1418 PolarHBondContact O-ND1 2.89Å; Y1416-H1418 HydrophobicContact CE1-CB 3.87Å; Y1416-H1418 PolarHBondContact OH-ND1 3.28Å; H1418-I1450 WeakPolarHBondContact CE1-CD1 3.16Å |
| 1419 | E | 67.6 | Low | 76.3 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | trans | -99.5 | 171 | 173.5 | -62.3 | -162.8 | -171.4 | 0 | 0 | 110.3 | Y1386 R1388 G1421 | Y1386-E1419 PolarHBondContact O-N 2.64Å; R1388-E1419 WeakPolarHBondContact CD-OE1 3.48Å; R1388-E1419 WeakPolarHBondContact CG-OE1 3.41Å; R1388-E1419 IonicContact CZ-OE1 3.67Å; R1388-E1419 IonicContact NE-OE1 3.03Å; R1388-E1419 PolarHBondContact NE-OE1 3.36Å; R1388-E1419 IonicContact NH1-OE1 3.88Å; R1388-E1419 PolarHBondContact NH1-OE1 3.39Å; E1419-G1421 VanDerWaalsContact C-N 3.32Å; E1419-G1421 PolarHBondContact O-N 2.85Å | ||
| 1420 | N | 55.6 | Low | 76.6 | Confident | 143 Ų | 143 | 55.3 Ų | 55.3 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -77 | 74.3 | -162.4 | -166.5 | 61.7 | 0 | 0 | 0 | 113.7 | L1353 | L1353-N1420 HydrophobicContact CD2-CB 3.93Š|
| 1421 | G | 58 | Low | 77.1 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | trans | -101.7 | 163.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1419 | E1419-G1421 VanDerWaalsContact C-N 3.32Å; E1419-G1421 PolarHBondContact O-N 2.85Å | ||
| 1422 | T | 54.4 | Low | 77.3 | Confident | 134 Ų | 134 | 41.8 Ų | 41.8 | 82% | 0.822 | 23% | 0.23 | S | C | * | . | trans | -100.3 | 4.1 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1423 | S | 61.5 | Low | 77.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | trans | -80.6 | 146.3 | -179.7 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | Y1386 H1425 I1450 | Y1386-S1423 VanDerWaalsContact CE2-CB 3.43Å; S1423-H1425 VanDerWaalsContact C-N 3.28Å; S1423-H1425 VanDerWaalsContact CB-O 3.25Å; S1423-H1425 WeakPolarHBondContact CB-O 3.5Å; S1423-H1425 PolarHBondContact OG-CE1 2.63Å; S1423-H1425 VanDerWaalsContact OG-CE1 3.28Å; S1423-H1425 PolarHBondContact OG-N 2.72Å; S1423-H1425 PolarHBondContact OG-ND1 2.95Å; S1423-H1425 PolarHBondContact OG-O 2.78Å; S1423-I1450 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1424 | D | 67.7 | Low | 76.6 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -85 | -6.1 | 171.6 | -58 | -53.8 | 0 | 0 | 0 | 112.5 | I1450 R1452 | D1424-I1450 PolarHBondContact O-N 2.81Å; D1424-R1452 VanDerWaalsContact CG-NH2 3.28Å; D1424-R1452 IonicContact OD1-CZ 3.18Å; D1424-R1452 IonicContact OD1-NE 3.48Å; D1424-R1452 PolarHBondContact OD1-NE 3.3Å; D1424-R1452 IonicContact OD1-NH2 3.17Å; D1424-R1452 PolarHBondContact OD1-NH2 3.04Å; D1424-R1452 IonicContact OD2-CZ 2.77Å; D1424-R1452 IonicContact OD2-NH2 2.91Å; D1424-R1452 PolarHBondContact OD2-NH2 2.69Å |
| 1425 | H | 72.2 | Confident | 75.5 | Confident | 127 Ų | 127 | 45.4 Ų | 45.4 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.6 | -177.9 | 57.5 | -80 | 0 | 0 | 0 | 111.5 | S1423 V1448 | S1423-H1425 VanDerWaalsContact C-N 3.28Å; S1423-H1425 VanDerWaalsContact CB-O 3.25Å; S1423-H1425 WeakPolarHBondContact CB-O 3.5Å; S1423-H1425 PolarHBondContact OG-CE1 2.63Å; S1423-H1425 VanDerWaalsContact OG-CE1 3.28Å; S1423-H1425 PolarHBondContact OG-N 2.72Å; S1423-H1425 PolarHBondContact OG-ND1 2.95Å; S1423-H1425 PolarHBondContact OG-O 2.78Å; H1425-V1448 WeakPolarHBondContact CA-O 2.93Å |
| 1426 | D | 83.5 | Confident | 74.1 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157 | 167.5 | -172.2 | 24.1 | 0 | 0 | 0 | 108.5 | P1384 S1385 Y1386 G1387 Y1416 V1448 I1450 | P1384-D1426 VanDerWaalsContact CB-OD2 3.25Å; P1384-D1426 WeakPolarHBondContact CB-OD2 3.1Å; S1385-D1426 WeakPolarHBondContact CA-OD1 3.43Å; S1385-D1426 WeakPolarHBondContact CB-OD1 3.25Å; S1385-D1426 PolarHBondContact N-OD1 3.45Å; Y1386-D1426 VanDerWaalsContact C-OD2 3.26Å; Y1386-D1426 HydrophobicContact CD2-CB 4.32Å; Y1386-D1426 VanDerWaalsContact N-CG 3.29Å; Y1386-D1426 PolarHBondContact N-OD1 3.37Å; Y1386-D1426 PolarHBondContact N-OD2 2.98Å; G1387-D1426 PolarHBondContact N-OD2 3.21Å; Y1416-D1426 WeakPolarHBondContact CE2-OD2 3.35Å; Y1416-D1426 PolarHBondContact OH-OD2 3.03Å; D1426-V1448 HydrophobicContact CB-CB 4.06Å; D1426-V1448 PolarHBondContact N-O 2.91Å; D1426-V1448 WeakPolarHBondContact O-CA 3.16Å; D1426-V1448 VanDerWaalsContact O-CB 3.29Å; D1426-V1448 WeakPolarHBondContact O-CB 3.31Å; D1426-V1448 PolarHBondContact O-N 3.21Å; D1426-I1450 HydrophobicContact CB-CD1 4.29Å |
| 1427 | E | 88.1 | Confident | 72.7 | Confident | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.7 | -174 | 60 | 168.7 | -143.9 | 0 | 0 | 112.6 | P1384 T1445 | P1384-E1427 WeakPolarHBondContact CA-O 3.15Å; E1427-T1445 HydrophobicContact CB-CG2 4.06Å |
| 1428 | F | 90.3 | Very high | 71.4 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 143.8 | 171 | 59.2 | -87.2 | 0 | 0 | 0 | 111.8 | L1358 T1382 P1384 L1389 Y1416 L1430 M1446 V1448 | L1358-F1428 HydrophobicContact CD1-CE2 4.47Å; L1358-F1428 HydrophobicContact CD1-CZ 4.2Å; T1382-F1428 WeakPolarHBondContact O-CB 3.2Å; P1384-F1428 HydrophobicContact CB-CB 4.39Å; P1384-F1428 HydrophobicContact CB-CD1 4.21Å; P1384-F1428 HydrophobicContact CG-CB 4.03Å; P1384-F1428 HydrophobicContact CG-CD1 3.83Å; P1384-F1428 HydrophobicContact CG-CG 4.1Å; L1389-F1428 HydrophobicContact CD1-CD2 3.85Å; L1389-F1428 HydrophobicContact CD1-CE2 3.92Å; L1389-F1428 HydrophobicContact CD1-CG 4.43Å; L1389-F1428 HydrophobicContact CD2-CD2 4.47Å; L1389-F1428 HydrophobicContact CD2-CE1 4.18Å; L1389-F1428 HydrophobicContact CD2-CE2 3.93Å; L1389-F1428 HydrophobicContact CD2-CZ 3.76Å; Y1416-F1428 HydrophobicContact CD2-CD1 4.44Å; Y1416-F1428 AromaticContact CD2-CE1 3.87Å; Y1416-F1428 HydrophobicContact CD2-CE1 3.87Å; Y1416-F1428 HydrophobicContact CE2-CE1 4.34Å; F1428-L1430 HydrophobicContact CD2-CD2 4.05Å; F1428-L1430 HydrophobicContact CD2-CG 4.19Å; F1428-L1430 HydrophobicContact CE2-CD1 4.2Å; F1428-L1430 HydrophobicContact CE2-CD2 4.25Å; F1428-L1430 HydrophobicContact CE2-CG 4.31Å; F1428-M1446 HydrophobicContact CD2-CB 4.31Å; F1428-M1446 HydrophobicContact CE1-CB 4.26Å; F1428-M1446 HydrophobicContact CE1-CG 4.21Å; F1428-M1446 HydrophobicContact CE2-CB 3.97Å; F1428-M1446 HydrophobicContact CE2-CE 3.73Å; F1428-M1446 HydrophobicContact CE2-CG 4.35Å; F1428-M1446 HydrophobicContact CZ-CB 3.94Å; F1428-M1446 HydrophobicContact CZ-CE 3.61Å; F1428-M1446 HydrophobicContact CZ-CG 3.88Å; F1428-M1446 PolarHBondContact N-O 3.37Å; F1428-M1446 PolarHBondContact O-N 2.88Å; F1428-V1448 HydrophobicContact CD1-CG2 4.08Å; F1428-V1448 HydrophobicContact CE1-CG2 3.7Å |
| 1429 | S | 86.9 | Confident | 70.5 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.8 | -174.8 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | L1381 T1382 A1444 T1445 | L1381-S1429 WeakPolarHBondContact CB-O 2.84Å; L1381-S1429 PolarHBondContact N-O 3.39Å; T1382-S1429 PolarHBondContact N-O 2.92Å; T1382-S1429 WeakPolarHBondContact OG1-CB 3.06Å; T1382-S1429 PolarHBondContact OG1-N 3.14Å; T1382-S1429 PolarHBondContact OG1-OG 3.19Å; S1429-A1444 WeakPolarHBondContact CA-O 3.11Å; S1429-T1445 PolarHBondContact OG-OG1 3.41Å |
| 1430 | L | 89.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 155.7 | -176.6 | -59.2 | 177.6 | 0 | 0 | 0 | 111 | L1343 V1345 I1363 V1378 A1379 V1380 F1404 F1428 P1443 A1444 M1446 | L1343-L1430 HydrophobicContact CD2-CB 3.88Å; V1345-L1430 HydrophobicContact CG1-CD1 4.44Å; I1363-L1430 HydrophobicContact CD1-CD1 3.54Å; I1363-L1430 HydrophobicContact CG1-CD1 4.07Å; V1378-L1430 HydrophobicContact CG1-CB 3.92Å; V1378-L1430 HydrophobicContact CG1-CD1 4.29Å; V1378-L1430 HydrophobicContact CG1-CD2 4.16Å; V1378-L1430 HydrophobicContact CG1-CG 4.36Å; A1379-L1430 WeakPolarHBondContact O-CA 3.33Å; V1380-L1430 HydrophobicContact CG2-CD2 4.05Å; F1404-L1430 HydrophobicContact CE1-CD2 4.28Å; F1404-L1430 HydrophobicContact CZ-CD2 4.44Å; F1428-L1430 HydrophobicContact CD2-CD2 4.05Å; F1428-L1430 HydrophobicContact CD2-CG 4.19Å; F1428-L1430 HydrophobicContact CE2-CD1 4.2Å; F1428-L1430 HydrophobicContact CE2-CD2 4.25Å; F1428-L1430 HydrophobicContact CE2-CG 4.31Å; L1430-P1443 CarbonylContact O-C 3.51Å; L1430-P1443 WeakPolarHBondContact O-CA 3.19Å; L1430-A1444 PolarHBondContact N-O 3.1Å; L1430-A1444 PolarHBondContact O-N 2.92Å; L1430-M1446 HydrophobicContact CD1-CE 4.16Å |
| 1431 | A | 82.8 | Confident | 71.2 | Confident | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1378 A1379 L1381 S1441 | V1378-A1431 CarbonylContact C-O 3.26Å; V1378-A1431 WeakPolarHBondContact CA-O 3.44Å; A1379-A1431 PolarHBondContact N-O 3.04Å; A1379-A1431 PolarHBondContact O-N 3.11Å; L1381-A1431 HydrophobicContact CD1-CB 3.71Å; L1381-A1431 HydrophobicContact CD2-CB 4.46Å; L1381-A1431 HydrophobicContact CG-CB 4.15Å; A1431-S1441 WeakPolarHBondContact CA-OG 3.34Å |
| 1432 | A | 79 | Confident | 71.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 142.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1341 L1343 I1365 H1440 S1441 | I1341-A1432 HydrophobicContact CG2-CB 3.81Å; L1343-A1432 HydrophobicContact CB-CB 4.48Å; L1343-A1432 HydrophobicContact CD1-CB 4.25Å; I1365-A1432 HydrophobicContact CD1-CB 4.47Å; I1365-A1432 HydrophobicContact CG1-CB 4.35Å; I1365-A1432 HydrophobicContact CG2-CB 4.01Å; A1432-H1440 WeakPolarHBondContact O-CA 3.16Å; A1432-S1441 PolarHBondContact N-OG 3.48Å; A1432-S1441 PolarHBondContact O-N 2.89Å; A1432-S1441 VanDerWaalsContact O-N 3.1Å |
| 1433 | L | 76.1 | Confident | 72.7 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.9 | -177.6 | -68 | 167 | 0 | 0 | 0 | 109.1 | A1377 A1379 Y1437 M1439 H1440 | A1377-L1433 HydrophobicContact CB-CB 4.16Å; A1377-L1433 HydrophobicContact CB-CD1 4.29Å; A1377-L1433 PolarHBondContact N-O 2.81Å; A1377-L1433 PolarHBondContact O-N 3.35Å; A1379-L1433 HydrophobicContact CB-CD1 3.72Å; A1379-L1433 HydrophobicContact CB-CG 4.23Å; L1433-Y1437 HydrophobicContact CB-CD1 4.44Å; L1433-Y1437 HydrophobicContact CD1-CD1 3.61Å; L1433-Y1437 HydrophobicContact CD1-CE1 3.85Å; L1433-Y1437 HydrophobicContact CD2-CD1 4.24Å; L1433-Y1437 HydrophobicContact CG-CD1 4.34Å; L1433-M1439 WeakPolarHBondContact CA-O 3.19Å; L1433-H1440 WeakPolarHBondContact CD2-ND1 3.38Å |
| 1434 | L | 67.6 | Low | 73.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.1 | 179.9 | -98.9 | 159.3 | 0 | 0 | 0 | 111.5 | I1341 S1367 D1375 R1376 T1438 M1439 | I1341-L1434 HydrophobicContact CD1-CB 3.81Å; I1341-L1434 HydrophobicContact CD1-CD1 3.64Å; I1341-L1434 HydrophobicContact CD1-CG 4.31Å; I1341-L1434 HydrophobicContact CG1-CD1 3.79Å; I1341-L1434 HydrophobicContact CG2-CD1 4.1Å; S1367-L1434 WeakPolarHBondContact OG-CD1 3.02Å; D1375-L1434 WeakPolarHBondContact O-CA 3.11Å; R1376-L1434 HydrophobicContact CG-CD2 3.77Å; R1376-L1434 HydrophobicContact CG-CG 4.29Å; L1434-T1438 PolarHBondContact O-N 3.34Å; L1434-M1439 HydrophobicContact CB-CB 4.18Å; L1434-M1439 PolarHBondContact N-O 3.17Å; L1434-M1439 PolarHBondContact O-N 2.83Å; L1434-M1439 VanDerWaalsContact O-N 3.11Å |
| 1435 | R | 62.6 | Low | 74.3 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 71.9 | 178.2 | -65.9 | -178.6 | 170.2 | -159.3 | -3.7 | 112.9 | L1372 Y1437 T1438 | L1372-R1435 HydrophobicContact CD1-CG 4.11Å; R1435-Y1437 VanDerWaalsContact C-N 3.33Å; R1435-Y1437 PolarHBondContact O-N 2.91Å; R1435-T1438 WeakPolarHBondContact O-CB 3.3Å; R1435-T1438 WeakPolarHBondContact O-CG2 3.48Å; R1435-T1438 PolarHBondContact O-N 3.12Å; R1435-T1438 PolarHBondContact O-OG1 3.5Å |
| 1436 | N | 59.9 | Low | 75 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 68% | 0.679 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 52.4 | -179.4 | -76.3 | -41.5 | 0 | 0 | 0 | 113.3 | T1438 | N1436-T1438 VanDerWaalsContact C-N 3.27Å; N1436-T1438 PolarHBondContact O-N 2.76Å |
| 1437 | Y | 59.5 | Low | 75.1 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 48% | 0.475 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 25.6 | 175 | -44.5 | -91.7 | 0 | 0 | 0 | 114.7 | L1433 R1435 | L1433-Y1437 HydrophobicContact CB-CD1 4.44Å; L1433-Y1437 HydrophobicContact CD1-CD1 3.61Å; L1433-Y1437 HydrophobicContact CD1-CE1 3.85Å; L1433-Y1437 HydrophobicContact CD2-CD1 4.24Å; L1433-Y1437 HydrophobicContact CG-CD1 4.34Å; R1435-Y1437 VanDerWaalsContact C-N 3.33Å; R1435-Y1437 PolarHBondContact O-N 2.91Å |
| 1438 | T | 57 | Low | 74.8 | Confident | 98 Ų | 98 | 44.7 Ų | 44.7 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -13.6 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | L1434 R1435 N1436 | L1434-T1438 PolarHBondContact O-N 3.34Å; R1435-T1438 WeakPolarHBondContact O-CB 3.3Å; R1435-T1438 WeakPolarHBondContact O-CG2 3.48Å; R1435-T1438 PolarHBondContact O-N 3.12Å; R1435-T1438 PolarHBondContact O-OG1 3.5Å; N1436-T1438 VanDerWaalsContact C-N 3.27Å; N1436-T1438 PolarHBondContact O-N 2.76Å |
| 1439 | M | 59.9 | Low | 74.2 | Confident | 35 Ų | 35 | 48 Ų | 48 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.7 | 175.2 | -57.8 | -170 | 68.4 | 0 | 0 | 110 | M1228 I1341 F1369 L1433 L1434 | M1228-M1439 HydrophobicContact CE-CE 4.45Å; M1228-M1439 HydrophobicContact SD-CE 3.75Å; I1341-M1439 HydrophobicContact CD1-CB 3.51Å; F1369-M1439 HydrophobicContact CE2-CE 3.58Å; F1369-M1439 HydrophobicContact CE2-SD 3.92Å; F1369-M1439 HydrophobicContact CZ-CE 3.81Å; F1369-M1439 HydrophobicContact CZ-SD 4.04Å; L1433-M1439 WeakPolarHBondContact CA-O 3.19Å; L1434-M1439 HydrophobicContact CB-CB 4.18Å; L1434-M1439 PolarHBondContact N-O 3.17Å; L1434-M1439 PolarHBondContact O-N 2.83Å; L1434-M1439 VanDerWaalsContact O-N 3.11Å |
| 1440 | H | 66.4 | Low | 73.4 | Confident | 98 Ų | 98 | 47.7 Ų | 47.7 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.4 | -173.9 | -57.7 | -90 | 0 | 0 | 0 | 110.7 | A1432 L1433 | A1432-H1440 WeakPolarHBondContact O-CA 3.16Å; L1433-H1440 WeakPolarHBondContact CD2-ND1 3.38Å |
| 1441 | S | 71.5 | Confident | 72.1 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 169.8 | 159.9 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | I1341 A1431 A1432 | I1341-S1441 VanDerWaalsContact O-CA 3.27Å; I1341-S1441 WeakPolarHBondContact O-CA 3.22Å; I1341-S1441 WeakPolarHBondContact O-CB 2.97Å; A1431-S1441 WeakPolarHBondContact CA-OG 3.34Å; A1432-S1441 PolarHBondContact N-OG 3.48Å; A1432-S1441 PolarHBondContact O-N 2.89Å; A1432-S1441 VanDerWaalsContact O-N 3.1Å |
| 1442 | A | 64.6 | Low | 70.9 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -59 | 150.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1444 | A1442-A1444 PolarHBondContact O-N 3.07Š|
| 1443 | P | 79.1 | Confident | 69.8 | Low | 79 Ų | 79 | 64.8 Ų | 64.8 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -60 | 133.4 | 169.7 | -24.4 | 35.5 | 0 | 0 | 0 | 111.7 | L1381 L1430 | L1381-P1443 HydrophobicContact CD1-CB 3.74Å; L1381-P1443 HydrophobicContact CD1-CG 3.84Å; L1430-P1443 CarbonylContact O-C 3.51Å; L1430-P1443 WeakPolarHBondContact O-CA 3.19Å |
| 1444 | A | 78.4 | Confident | 68.9 | Low | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1343 V1345 S1429 L1430 A1442 | L1343-A1444 HydrophobicContact CB-CB 4.31Å; L1343-A1444 HydrophobicContact CD2-CB 3.88Å; L1343-A1444 HydrophobicContact CG-CB 4.01Å; V1345-A1444 HydrophobicContact CG1-CB 3.93Å; V1345-A1444 HydrophobicContact CG2-CB 3.96Å; S1429-A1444 WeakPolarHBondContact CA-O 3.11Å; L1430-A1444 PolarHBondContact N-O 3.1Å; L1430-A1444 PolarHBondContact O-N 2.92Å; A1442-A1444 PolarHBondContact O-N 3.07Å |
| 1445 | T | 85.9 | Confident | 68.6 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.7 | 179 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | E1427 S1429 | E1427-T1445 HydrophobicContact CB-CG2 4.06Å; S1429-T1445 PolarHBondContact OG-OG1 3.41Å |
| 1446 | M | 86.7 | Confident | 68.4 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.2 | 174.4 | -175.2 | 121.6 | 67.4 | 0 | 0 | 109.1 | V1345 L1348 L1358 I1363 F1428 L1430 | V1345-M1446 HydrophobicContact CB-SD 4.22Å; L1348-M1446 HydrophobicContact CB-CG 4.41Å; L1358-M1446 HydrophobicContact CD1-CE 4.15Å; L1358-M1446 HydrophobicContact CD2-CE 3.84Å; I1363-M1446 HydrophobicContact CD1-CE 3.78Å; I1363-M1446 HydrophobicContact CG1-CE 3.7Å; F1428-M1446 HydrophobicContact CD2-CB 4.31Å; F1428-M1446 HydrophobicContact CE1-CB 4.26Å; F1428-M1446 HydrophobicContact CE1-CG 4.21Å; F1428-M1446 HydrophobicContact CE2-CB 3.97Å; F1428-M1446 HydrophobicContact CE2-CE 3.73Å; F1428-M1446 HydrophobicContact CE2-CG 4.35Å; F1428-M1446 HydrophobicContact CZ-CB 3.94Å; F1428-M1446 HydrophobicContact CZ-CE 3.61Å; F1428-M1446 HydrophobicContact CZ-CG 3.88Å; F1428-M1446 PolarHBondContact N-O 3.37Å; F1428-M1446 PolarHBondContact O-N 2.88Å; L1430-M1446 HydrophobicContact CD1-CE 4.16Å |
| 1447 | N | 84.1 | Confident | 68.6 | Low | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 133.2 | 174.8 | -64.1 | -4.5 | 0 | 0 | 0 | 109.9 | L1348 | L1348-N1447 PolarHBondContact N-O 3.13Å |
| 1448 | V | 82.6 | Confident | 69.7 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.9 | 178.5 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | L1348 V1350 Y1416 H1425 D1426 F1428 | L1348-V1448 HydrophobicContact CB-CG1 4.48Å; L1348-V1448 HydrophobicContact CB-CG2 4.33Å; L1348-V1448 HydrophobicContact CD2-CG1 4.33Å; L1348-V1448 HydrophobicContact CD2-CG2 4.18Å; L1348-V1448 CarbonylContact O-C 3.48Å; L1348-V1448 VanDerWaalsContact O-CA 3.28Å; L1348-V1448 WeakPolarHBondContact O-CA 3.24Å; L1348-V1448 WeakPolarHBondContact O-CG1 3.08Å; V1350-V1448 HydrophobicContact CB-CG1 4.08Å; V1350-V1448 HydrophobicContact CG2-CG1 3.52Å; Y1416-V1448 HydrophobicContact CD1-CG1 4.48Å; Y1416-V1448 HydrophobicContact CE1-CG1 3.84Å; Y1416-V1448 HydrophobicContact CE2-CG2 4.29Å; H1425-V1448 WeakPolarHBondContact CA-O 2.93Å; D1426-V1448 HydrophobicContact CB-CB 4.06Å; D1426-V1448 PolarHBondContact N-O 2.91Å; D1426-V1448 WeakPolarHBondContact O-CA 3.16Å; D1426-V1448 VanDerWaalsContact O-CB 3.29Å; D1426-V1448 WeakPolarHBondContact O-CB 3.31Å; D1426-V1448 PolarHBondContact O-N 3.21Å; F1428-V1448 HydrophobicContact CD1-CG2 4.08Å; F1428-V1448 HydrophobicContact CE1-CG2 3.7Å |
| 1449 | Q | 77.9 | Confident | 70.6 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122 | 179.8 | -177.4 | -172.3 | 75.7 | 0 | 0 | 110.3 | E1347 L1348 S1349 V1350 | E1347-Q1449 HydrophobicContact CG-CB 4.48Å; L1348-Q1449 PolarHBondContact O-N 3.39Å; S1349-Q1449 WeakPolarHBondContact CA-O 3.38Å; S1349-Q1449 PolarHBondContact OG-OE1 2.84Å; V1350-Q1449 PolarHBondContact N-O 2.72Å |
| 1450 | I | 70.6 | Confident | 71.7 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 104.9 | -175.5 | -61.4 | 159.2 | 0 | 0 | 0 | 109.6 | V1350 P1352 H1418 S1423 D1424 D1426 R1452 | V1350-I1450 CarbonylContact O-C 3.56Å; V1350-I1450 WeakPolarHBondContact O-CA 3.34Å; P1352-I1450 HydrophobicContact CG-CG2 3.79Å; H1418-I1450 WeakPolarHBondContact CE1-CD1 3.16Å; S1423-I1450 WeakPolarHBondContact O-CD1 3.4Å; D1424-I1450 PolarHBondContact O-N 2.81Å; D1426-I1450 HydrophobicContact CB-CD1 4.29Å; I1450-R1452 PolarHBondContact O-N 3.32Å |
| 1451 | R | 62.1 | Low | 72 | Confident | 134 Ų | 134 | 58 Ų | 58 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | trans | -79.6 | 111.8 | -173.2 | -66.7 | -171.8 | 177 | -142.5 | -6.2 | 112 | S1349 V1350 P1352 | S1349-R1451 PolarHBondContact OG-NE 2.99Å; S1349-R1451 PolarHBondContact OG-NH2 2.92Å; S1349-R1451 VanDerWaalsContact OG-NH2 3.11Å; V1350-R1451 PolarHBondContact O-N 2.81Å; P1352-R1451 WeakPolarHBondContact CD-O 3.23Å | ||
| 1452 | R | 58.2 | Low | 72 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | trans | -68.6 | 146.9 | 162.6 | -58.7 | -172.2 | -174 | -161 | 6 | 109.6 | D1424 I1450 | D1424-R1452 VanDerWaalsContact CG-NH2 3.28Å; D1424-R1452 IonicContact OD1-CZ 3.18Å; D1424-R1452 IonicContact OD1-NE 3.48Å; D1424-R1452 PolarHBondContact OD1-NE 3.3Å; D1424-R1452 IonicContact OD1-NH2 3.17Å; D1424-R1452 PolarHBondContact OD1-NH2 3.04Å; D1424-R1452 IonicContact OD2-CZ 2.77Å; D1424-R1452 IonicContact OD2-NH2 2.91Å; D1424-R1452 PolarHBondContact OD2-NH2 2.69Å; I1450-R1452 PolarHBondContact O-N 3.32Å | ||
| 1453 | L | 55.4 | Low | 72.8 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | trans | -105.2 | 127.1 | 171.6 | -70.3 | 88.7 | 0 | 0 | 0 | 108.5 | R1455 | L1453-R1455 WeakPolarHBondContact O-CG 3.05Å; L1453-R1455 PolarHBondContact O-N 3.35Å | ||
| 1454 | N | 57.8 | Low | 72.7 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | trans | -61.5 | 119.3 | 165.3 | 160.9 | -63.4 | 0 | 0 | 0 | 109 | D1488 T1489 D1553 K1555 Y1556 | N1454-D1488 WeakPolarHBondContact CA-OD2 3.1Å; N1454-T1489 PolarHBondContact ND2-OG1 3.1Å; N1454-D1553 PolarHBondContact ND2-OD2 3.08Å; N1454-K1555 PolarHBondContact O-NZ 2.95Å; N1454-K1555 WeakPolarHBondContact OD1-CD 3.46Å; N1454-K1555 PolarHBondContact OD1-NZ 2.89Å; N1454-Y1556 VanDerWaalsContact OD1-CE2 3.27Å; N1454-Y1556 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 1455 | R | 59.6 | Low | 72.6 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | trans | -125.2 | -36.4 | -178.6 | -63.2 | -174.4 | -162.6 | -150.7 | 22.3 | 111.8 | N7 L1453 D1488 Y1556 | N7-R1455 WeakPolarHBondContact OD1-CD 3.28Å; N7-R1455 PolarHBondContact OD1-NH1 2.73Å; L1453-R1455 WeakPolarHBondContact O-CG 3.05Å; L1453-R1455 PolarHBondContact O-N 3.35Å; R1455-D1488 PolarHBondContact N-OD2 2.76Å; R1455-Y1556 PolarHBondContact O-OH 2.84Å | ||
| 1456 | N | 59.7 | Low | 72.4 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -85.5 | 178.8 | 172.2 | -63.6 | -23.2 | 0 | 0 | 0 | 109.3 | D1488 Y1556 | N1456-D1488 PolarHBondContact N-OD1 2.7Å; N1456-D1488 PolarHBondContact N-OD2 3.35Å; N1456-Y1556 WeakPolarHBondContact O-CD2 3.1Å; N1456-Y1556 WeakPolarHBondContact O-CE2 3.44Å |
| 1457 | G | 64.3 | Low | 71.6 | Confident | 23 Ų | 23 | 66 Ų | 66 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | trans | -148 | 162.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1458 | P | 81.5 | Confident | 70.9 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -62.2 | 142 | -163 | 21.4 | -33.3 | 0 | 0 | 0 | 113.5 | I1484 D1486 V1551 D1553 L1558 | P1458-I1484 HydrophobicContact CB-CG2 3.89Å; P1458-D1486 HydrophobicContact CB-CB 4.5Å; P1458-V1551 HydrophobicContact CB-CG1 4.04Å; P1458-V1551 HydrophobicContact CG-CG1 4.05Å; P1458-D1553 HydrophobicContact CG-CB 4.19Å; P1458-L1558 WeakPolarHBondContact O-CD1 3.17Å; P1458-L1558 WeakPolarHBondContact O-CD2 3.25Å | ||
| 1459 | T | 77 | Confident | 69.7 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.7 | -177.5 | 58 | 0 | 0 | 0 | 0 | 111.1 | A1461 I1484 T1485 | T1459-A1461 PolarHBondContact O-N 2.96Å; T1459-I1484 CarbonylContact O-C 3.42Å; T1459-I1484 VanDerWaalsContact O-CA 3.29Å; T1459-I1484 WeakPolarHBondContact O-CA 3.36Å; T1459-I1484 WeakPolarHBondContact O-CG2 3.23Å; T1459-T1485 PolarHBondContact N-O 2.74Å; T1459-T1485 PolarHBondContact O-N 2.91Å; T1459-T1485 PolarHBondContact OG1-O 2.89Å; T1459-T1485 PolarHBondContact OG1-OG1 3.48Å |
| 1460 | I | 81.4 | Confident | 68.5 | Low | 62 Ų | 62 | 67 Ų | 67 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 105.8 | 176.9 | -56.1 | 175.1 | 0 | 0 | 0 | 108.7 | K1463 I1484 L1558 | I1460-K1463 HydrophobicContact CG2-CB 4.2Å; I1460-I1484 HydrophobicContact CG1-CG1 4.38Å; I1460-L1558 HydrophobicContact CD1-CD1 4.21Å; I1460-L1558 HydrophobicContact CG1-CD1 3.82Å |
| 1461 | A | 73 | Confident | 67.8 | Low | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1459 E1483 T1485 | T1459-A1461 PolarHBondContact O-N 2.96Å; A1461-E1483 WeakPolarHBondContact CA-O 3.21Å; A1461-E1483 HydrophobicContact CB-CB 4.43Å; A1461-E1483 HydrophobicContact CB-CG 4.26Å; A1461-E1483 PolarHBondContact N-O 3.44Å; A1461-T1485 HydrophobicContact CB-CG2 3.98Å |
| 1462 | R | 72.8 | Confident | 68 | Low | 104 Ų | 104 | 66.2 Ų | 66.2 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 144.8 | 179.8 | -155.4 | -169.1 | -54.8 | -108.1 | -3.7 | 112.5 | E1464 R1479 K1480 L1482 E1483 | R1462-E1464 HydrophobicContact CG-CG 4.37Å; R1462-R1479 PolarHBondContact NE-O 3.45Å; R1462-K1480 WeakPolarHBondContact CD-O 3.13Å; R1462-L1482 WeakPolarHBondContact O-CA 3.1Å; R1462-E1483 HydrophobicContact CB-CB 3.53Å; R1462-E1483 IonicContact CZ-OE2 2.77Å; R1462-E1483 PolarHBondContact N-O 3.18Å; R1462-E1483 IonicContact NE-OE2 2.69Å; R1462-E1483 PolarHBondContact NE-OE2 3.5Å; R1462-E1483 IonicContact NH2-OE1 3.82Å; R1462-E1483 IonicContact NH2-OE2 3.38Å; R1462-E1483 PolarHBondContact NH2-OE2 3Å; R1462-E1483 PolarHBondContact O-N 2.96Å |
| 1463 | K | 81.3 | Confident | 68.6 | Low | 90 Ų | 90 | 62.3 Ų | 62.3 | 39% | 0.391 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 95 | -178.4 | -174.7 | -174.3 | 176.5 | -172.3 | 0 | 110.1 | I1460 N1481 D1561 W1562 L1563 | I1460-K1463 HydrophobicContact CG2-CB 4.2Å; K1463-N1481 CarbonylContact C-O 3.59Å; K1463-N1481 VanDerWaalsContact CA-O 3.31Å; K1463-N1481 WeakPolarHBondContact CA-O 3.05Å; K1463-D1561 WeakPolarHBondContact CE-OD2 3.49Å; K1463-D1561 IonicContact NZ-OD1 2.74Å; K1463-D1561 PolarHBondContact NZ-OD1 3.41Å; K1463-D1561 IonicContact NZ-OD2 3.64Å; K1463-D1561 PolarHBondContact NZ-OD2 3.1Å; K1463-W1562 WeakPolarHBondContact CE-O 3.24Å; K1463-W1562 PolarHBondContact NZ-O 3.48Å; K1463-L1563 HydrophobicContact CG-CD1 4.22Å |
| 1464 | E | 76.2 | Confident | 69.9 | Low | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | trans | -124.2 | 136.4 | -179.9 | -62.9 | 178.7 | -164.5 | 0 | 0 | 110.7 | R1462 K1480 N1481 H1578 | R1462-E1464 HydrophobicContact CG-CG 4.37Å; E1464-K1480 WeakPolarHBondContact CB-O 3.13Å; E1464-N1481 PolarHBondContact N-O 2.88Å; E1464-N1481 WeakPolarHBondContact O-CA 3.15Å; E1464-N1481 WeakPolarHBondContact O-CB 3.43Å; E1464-N1481 PolarHBondContact O-ND2 2.88Å; E1464-H1578 IonicContact OE2-CE1 3.17Å; E1464-H1578 PolarHBondContact OE2-CE1 2.74Å | ||
| 1465 | P | 75.6 | Confident | 71.1 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | trans | -63.1 | 150.7 | -174.8 | 27.3 | -35.5 | 0 | 0 | 0 | 112.9 | I1467 N1481 G1564 L1566 | P1465-I1467 PolarHBondContact O-N 2.89Å; P1465-N1481 PolarHBondContact O-ND2 2.86Å; P1465-N1481 VanDerWaalsContact O-ND2 3.08Å; P1465-G1564 CarbonylContact C-O 3.55Å; P1465-G1564 VanDerWaalsContact CA-O 3.23Å; P1465-G1564 WeakPolarHBondContact CA-O 3.16Å; P1465-G1564 WeakPolarHBondContact CB-O 3.32Å; P1465-L1566 HydrophobicContact CB-CD1 3.97Å; P1465-L1566 HydrophobicContact CB-CG 4.21Å; P1465-L1566 HydrophobicContact CG-CD1 3.84Å | ||
| 1466 | I | 82.3 | Confident | 72.3 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.9 | 178.6 | -48.2 | 173.7 | 0 | 0 | 0 | 108.5 | F1468 N1475 I1477 N1481 F1531 F1547 L1563 G1564 V1565 L1566 | I1466-F1468 HydrophobicContact CB-CE2 4.33Å; I1466-F1468 HydrophobicContact CG2-CD2 4.05Å; I1466-F1468 HydrophobicContact CG2-CE2 3.64Å; I1466-N1475 HydrophobicContact CG2-CB 3.94Å; I1466-I1477 HydrophobicContact CD1-CD1 4.19Å; I1466-I1477 HydrophobicContact CD1-CG1 3.87Å; I1466-N1481 HydrophobicContact CG1-CB 4.41Å; I1466-F1531 HydrophobicContact CD1-CB 4.03Å; I1466-F1547 HydrophobicContact CD1-CE1 4.44Å; I1466-L1563 HydrophobicContact CD1-CD2 4.07Å; I1466-L1563 HydrophobicContact CG1-CD2 4.24Å; I1466-G1564 PolarHBondContact N-O 3.43Å; I1466-V1565 HydrophobicContact CB-CG2 4.15Å; I1466-V1565 HydrophobicContact CD1-CG2 4.25Å; I1466-V1565 CarbonylContact O-C 3.41Å; I1466-V1565 WeakPolarHBondContact O-CA 3.43Å; I1466-L1566 PolarHBondContact O-N 2.95Å |
| 1467 | I | 69.9 | Low | 73.7 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.2 | 179.6 | -55.2 | 173.8 | 0 | 0 | 0 | 109 | P1465 N1475 L1566 | P1465-I1467 PolarHBondContact O-N 2.89Å; I1467-N1475 PolarHBondContact O-ND2 3.33Å; I1467-L1566 CarbonylContact C-O 3.58Å; I1467-L1566 WeakPolarHBondContact CA-O 3.35Å |
| 1468 | F | 70.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.2 | 178.8 | -84.3 | -119.3 | 0 | 0 | 0 | 110.6 | I1466 Q1472 N1475 F1531 I1533 V1565 L1566 G1568 | I1466-F1468 HydrophobicContact CB-CE2 4.33Å; I1466-F1468 HydrophobicContact CG2-CD2 4.05Å; I1466-F1468 HydrophobicContact CG2-CE2 3.64Å; F1468-Q1472 WeakPolarHBondContact CD1-O 2.97Å; F1468-N1475 HydrophobicContact CD1-CB 4.42Å; F1468-N1475 HydrophobicContact CD2-CB 4.06Å; F1468-N1475 HydrophobicContact CE1-CB 4.16Å; F1468-N1475 HydrophobicContact CE2-CB 3.74Å; F1468-N1475 HydrophobicContact CG-CB 4.38Å; F1468-N1475 HydrophobicContact CZ-CB 3.79Å; F1468-F1531 HydrophobicContact CE2-CD1 4.23Å; F1468-F1531 HydrophobicContact CZ-CB 4.44Å; F1468-F1531 AromaticContact CZ-CD1 3.87Å; F1468-F1531 HydrophobicContact CZ-CD1 3.87Å; F1468-F1531 WeakPolarHBondContact CZ-O 3.44Å; F1468-I1533 HydrophobicContact CD1-CD1 3.46Å; F1468-I1533 VanDerWaalsContact CD1-CD1 3.46Å; F1468-I1533 HydrophobicContact CD1-CG1 4.19Å; F1468-I1533 HydrophobicContact CE1-CD1 3.52Å; F1468-I1533 HydrophobicContact CE1-CG1 3.69Å; F1468-I1533 HydrophobicContact CG-CD1 4.06Å; F1468-I1533 HydrophobicContact CZ-CD1 4.18Å; F1468-I1533 HydrophobicContact CZ-CG1 4.11Å; F1468-V1565 HydrophobicContact CD2-CG1 3.53Å; F1468-V1565 HydrophobicContact CE2-CG1 3.46Å; F1468-V1565 VanDerWaalsContact CE2-CG1 3.46Å; F1468-V1565 HydrophobicContact CG-CG1 4.46Å; F1468-V1565 HydrophobicContact CZ-CG1 4.34Å; F1468-L1566 PolarHBondContact N-O 2.75Å; F1468-G1568 WeakPolarHBondContact O-CA 3.13Å; F1468-G1568 PolarHBondContact O-N 3.07Å |
| 1469 | S | 57.5 | Low | 74.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | trans | -78.5 | 158.1 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | G1471 Q1472 E1575 | S1469-G1471 PolarHBondContact O-N 3.24Å; S1469-Q1472 VanDerWaalsContact O-CB 3.31Å; S1469-Q1472 WeakPolarHBondContact O-CB 3.25Å; S1469-Q1472 PolarHBondContact O-N 3.02Å; S1469-Q1472 VanDerWaalsContact O-N 3.11Å; S1469-E1575 PolarHBondContact OG-OE1 3.13Å | ||
| 1470 | Q | 51.2 | Low | 74.3 | Confident | 146 Ų | 146 | 62.1 Ų | 62.1 | 68% | 0.682 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 123.4 | -173.7 | -171.5 | 177.8 | 39.9 | 0 | 0 | 110.9 | S1570 | Q1470-S1570 PolarHBondContact OE1-OG 3.27Š|
| 1471 | G | 56.9 | Low | 74.4 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 76% | 0.763 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 20 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1469 | S1469-G1471 PolarHBondContact O-N 3.24Š|
| 1472 | Q | 65.8 | Low | 75.1 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | trans | -109.1 | 129.4 | 170 | -177.3 | -179.6 | 7.5 | 0 | 0 | 109.4 | F1468 S1469 W1474 N1475 | F1468-Q1472 WeakPolarHBondContact CD1-O 2.97Å; S1469-Q1472 VanDerWaalsContact O-CB 3.31Å; S1469-Q1472 WeakPolarHBondContact O-CB 3.25Å; S1469-Q1472 PolarHBondContact O-N 3.02Å; S1469-Q1472 VanDerWaalsContact O-N 3.11Å; Q1472-W1474 WeakPolarHBondContact CG-O 3.04Å; Q1472-W1474 PolarHBondContact NE2-O 3.03Å; Q1472-N1475 VanDerWaalsContact NE2-CG 3.35Å; Q1472-N1475 PolarHBondContact NE2-OD1 2.95Å | ||
| 1473 | D | 71.4 | Confident | 75.9 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | trans | -106.5 | -8.7 | -173.3 | -46.6 | -55.3 | 0 | 0 | 0 | 113.3 | A1532 I1533 | D1473-A1532 WeakPolarHBondContact O-CA 3.32Å; D1473-I1533 PolarHBondContact O-N 3.09Å | ||
| 1474 | W | 82.6 | Confident | 76.2 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.6 | 173.4 | 57.2 | -90 | 0 | 0 | 0 | 111.6 | Q1472 W1476 M1509 I1530 F1531 A1532 | Q1472-W1474 WeakPolarHBondContact CG-O 3.04Å; Q1472-W1474 PolarHBondContact NE2-O 3.03Å; W1474-W1476 AromaticContact CZ3-NE1 3.94Å; W1474-M1509 HydrophobicContact CH2-CE 4.29Å; W1474-I1530 HydrophobicContact CB-CD1 4.2Å; W1474-I1530 HydrophobicContact CD2-CD1 4.41Å; W1474-I1530 HydrophobicContact CE3-CD1 4.26Å; W1474-I1530 HydrophobicContact CE3-CG2 4.13Å; W1474-I1530 HydrophobicContact CG-CD1 4.38Å; W1474-F1531 CarbonylContact C-O 3.05Å; W1474-F1531 WeakPolarHBondContact CA-O 2.98Å; W1474-A1532 HydrophobicContact CB-CB 4.12Å |
| 1475 | N | 82.6 | Confident | 76.6 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156 | 173.7 | -156.1 | 1 | 0 | 0 | 0 | 113.1 | I1466 I1467 F1468 Q1472 I1530 F1531 | I1466-N1475 HydrophobicContact CG2-CB 3.94Å; I1467-N1475 PolarHBondContact O-ND2 3.33Å; F1468-N1475 HydrophobicContact CD1-CB 4.42Å; F1468-N1475 HydrophobicContact CD2-CB 4.06Å; F1468-N1475 HydrophobicContact CE1-CB 4.16Å; F1468-N1475 HydrophobicContact CE2-CB 3.74Å; F1468-N1475 HydrophobicContact CG-CB 4.38Å; F1468-N1475 HydrophobicContact CZ-CB 3.79Å; Q1472-N1475 VanDerWaalsContact NE2-CG 3.35Å; Q1472-N1475 PolarHBondContact NE2-OD1 2.95Å; N1475-I1530 CarbonylContact O-C 3.5Å; N1475-I1530 WeakPolarHBondContact O-CA 3.48Å; N1475-F1531 PolarHBondContact N-O 2.97Å; N1475-F1531 PolarHBondContact O-N 2.91Å |
| 1476 | W | 84.8 | Confident | 76.9 | Confident | 80 Ų | 80 | 48 Ų | 48 | 30% | 0.303 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 137.2 | -176 | -65 | 103.8 | 0 | 0 | 0 | 114 | W1474 G1478 M1509 R1527 I1530 | W1474-W1476 AromaticContact CZ3-NE1 3.94Å; W1476-G1478 PolarHBondContact O-N 2.83Å; W1476-M1509 HydrophobicContact CH2-CB 3.95Å; W1476-M1509 HydrophobicContact CH2-CG 3.96Å; W1476-M1509 HydrophobicContact CH2-SD 3.27Å; W1476-M1509 WeakPolarHBondContact CH2-SD 3.42Å; W1476-M1509 HydrophobicContact CZ2-CE 4.4Å; W1476-M1509 HydrophobicContact CZ2-CG 4.48Å; W1476-M1509 HydrophobicContact CZ2-SD 3.56Å; W1476-M1509 VanDerWaalsContact CZ2-SD 3.56Å; W1476-M1509 HydrophobicContact CZ3-CB 4Å; W1476-M1509 HydrophobicContact CZ3-CG 4.42Å; W1476-M1509 HydrophobicContact CZ3-SD 4.25Å; W1476-R1527 HydrophobicContact CE3-CB 4.17Å; W1476-R1527 WeakPolarHBondContact CH2-O 3.2Å; W1476-R1527 HydrophobicContact CZ3-CB 4.12Å; W1476-R1527 WeakPolarHBondContact CZ3-O 3.16Å; W1476-I1530 HydrophobicContact CD2-CG2 3.87Å; W1476-I1530 HydrophobicContact CE3-CG2 3.42Å; W1476-I1530 VanDerWaalsContact CE3-CG2 3.42Å; W1476-I1530 HydrophobicContact CG-CG2 4.46Å; W1476-I1530 HydrophobicContact CZ3-CG2 3.79Å |
| 1477 | I | 88.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -92.2 | 93 | 162.5 | -42.7 | -167.2 | 0 | 0 | 0 | 107.1 | I1466 L1482 V1506 V1529 F1531 F1547 L1563 | I1466-I1477 HydrophobicContact CD1-CD1 4.19Å; I1466-I1477 HydrophobicContact CD1-CG1 3.87Å; I1477-L1482 HydrophobicContact CG2-CB 4.44Å; I1477-V1506 HydrophobicContact CD1-CG1 3.98Å; I1477-V1506 HydrophobicContact CD1-CG2 4.27Å; I1477-V1529 HydrophobicContact CB-CB 4.34Å; I1477-V1529 HydrophobicContact CB-CG1 4.26Å; I1477-V1529 HydrophobicContact CD1-CG1 3.77Å; I1477-V1529 HydrophobicContact CG1-CG1 4.05Å; I1477-V1529 PolarHBondContact N-O 3.12Å; I1477-F1531 HydrophobicContact CD1-CB 4.47Å; I1477-F1547 HydrophobicContact CD1-CE1 3.62Å; I1477-F1547 HydrophobicContact CD1-CZ 3.67Å; I1477-L1563 HydrophobicContact CG2-CD2 4.21Å | ||
| 1478 | G | 80.6 | Confident | 76.4 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | trans | -101.9 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1476 K1480 N1481 L1482 | W1476-G1478 PolarHBondContact O-N 2.83Å; G1478-K1480 PolarHBondContact O-N 3.2Å; G1478-N1481 WeakPolarHBondContact O-CA 3.21Å; G1478-N1481 WeakPolarHBondContact O-CB 2.86Å; G1478-N1481 PolarHBondContact O-N 3.08Å; G1478-L1482 PolarHBondContact O-N 3.29Å | ||
| 1479 | R | 82.3 | Confident | 76.4 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -15.2 | 176.9 | -148.3 | -168.5 | -65.7 | -121.8 | 4.1 | 114.2 | R1462 E1483 E1491 I1524 N1525 | R1462-R1479 PolarHBondContact NE-O 3.45Å; R1479-E1483 WeakPolarHBondContact CD-OE1 3.03Å; R1479-E1483 HydrophobicContact CG-CB 4.22Å; R1479-E1483 HydrophobicContact CG-CG 3.76Å; R1479-E1483 WeakPolarHBondContact CG-OE1 3.03Å; R1479-E1491 IonicContact CZ-OE1 2.6Å; R1479-E1491 IonicContact NH1-OE1 3.79Å; R1479-E1491 PolarHBondContact NH1-OE1 3.07Å; R1479-E1491 IonicContact NH2-OE1 3.8Å; R1479-I1524 HydrophobicContact CB-CG2 4.5Å; R1479-N1525 WeakPolarHBondContact CG-OD1 3.32Å; R1479-N1525 VanDerWaalsContact CZ-ND2 3.26Å; R1479-N1525 PolarHBondContact NE-OD1 3.07Å; R1479-N1525 VanDerWaalsContact NE-OD1 3.11Å; R1479-N1525 PolarHBondContact NH1-ND2 3.18Å; R1479-N1525 VanDerWaalsContact NH2-CB 3.34Å; R1479-N1525 PolarHBondContact NH2-ND2 2.74Å |
| 1480 | K | 73.1 | Confident | 77.5 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -29.8 | 170.1 | 71.6 | 176 | -175.4 | 168.2 | 0 | 113.3 | R1462 E1464 G1478 | R1462-K1480 WeakPolarHBondContact CD-O 3.13Å; E1464-K1480 WeakPolarHBondContact CB-O 3.13Å; G1478-K1480 PolarHBondContact O-N 3.2Å |
| 1481 | N | 83 | Confident | 79 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -39.5 | -175 | -66 | 103.3 | 0 | 0 | 0 | 112.4 | K1463 E1464 P1465 I1466 G1478 | K1463-N1481 CarbonylContact C-O 3.59Å; K1463-N1481 VanDerWaalsContact CA-O 3.31Å; K1463-N1481 WeakPolarHBondContact CA-O 3.05Å; E1464-N1481 PolarHBondContact N-O 2.88Å; E1464-N1481 WeakPolarHBondContact O-CA 3.15Å; E1464-N1481 WeakPolarHBondContact O-CB 3.43Å; E1464-N1481 PolarHBondContact O-ND2 2.88Å; P1465-N1481 PolarHBondContact O-ND2 2.86Å; P1465-N1481 VanDerWaalsContact O-ND2 3.08Å; I1466-N1481 HydrophobicContact CG1-CB 4.41Å; G1478-N1481 WeakPolarHBondContact O-CA 3.21Å; G1478-N1481 WeakPolarHBondContact O-CB 2.86Å; G1478-N1481 PolarHBondContact O-N 3.08Å |
| 1482 | L | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 125.5 | 177.8 | -175.7 | 59.5 | 0 | 0 | 0 | 109.4 | R1462 I1477 G1478 I1484 I1496 I1524 F1549 L1563 | R1462-L1482 WeakPolarHBondContact O-CA 3.1Å; I1477-L1482 HydrophobicContact CG2-CB 4.44Å; G1478-L1482 PolarHBondContact O-N 3.29Å; L1482-I1484 HydrophobicContact CD1-CD1 4.35Å; L1482-I1484 HydrophobicContact CD1-CG1 4.4Å; L1482-I1484 HydrophobicContact CG-CD1 4.38Å; L1482-I1496 HydrophobicContact CD2-CD1 4.24Å; L1482-I1496 HydrophobicContact CD2-CG2 4.41Å; L1482-I1524 HydrophobicContact CB-CD1 4.04Å; L1482-I1524 HydrophobicContact CD2-CD1 4.01Å; L1482-I1524 HydrophobicContact CG-CD1 4.01Å; L1482-F1549 HydrophobicContact CD1-CE2 4.1Å; L1482-F1549 HydrophobicContact CD1-CZ 3.77Å; L1482-F1549 HydrophobicContact CD2-CE2 4.28Å; L1482-F1549 HydrophobicContact CD2-CZ 4.29Å; L1482-L1563 HydrophobicContact CB-CD2 4.35Å |
| 1483 | E | 90.2 | Very high | 81 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 119.6 | -179.6 | -168 | 169.4 | -144.8 | 0 | 0 | 108.1 | A1461 R1462 R1479 | A1461-E1483 WeakPolarHBondContact CA-O 3.21Å; A1461-E1483 HydrophobicContact CB-CB 4.43Å; A1461-E1483 HydrophobicContact CB-CG 4.26Å; A1461-E1483 PolarHBondContact N-O 3.44Å; R1462-E1483 HydrophobicContact CB-CB 3.53Å; R1462-E1483 IonicContact CZ-OE2 2.77Å; R1462-E1483 PolarHBondContact N-O 3.18Å; R1462-E1483 IonicContact NE-OE2 2.69Å; R1462-E1483 PolarHBondContact NE-OE2 3.5Å; R1462-E1483 IonicContact NH2-OE1 3.82Å; R1462-E1483 IonicContact NH2-OE2 3.38Å; R1462-E1483 PolarHBondContact NH2-OE2 3Å; R1462-E1483 PolarHBondContact O-N 2.96Å; R1479-E1483 WeakPolarHBondContact CD-OE1 3.03Å; R1479-E1483 HydrophobicContact CG-CB 4.22Å; R1479-E1483 HydrophobicContact CG-CG 3.76Å; R1479-E1483 WeakPolarHBondContact CG-OE1 3.03Å |
| 1484 | I | 88.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136 | -179.8 | -63 | 157.3 | 0 | 0 | 0 | 107.9 | P1458 T1459 I1460 L1482 I1494 I1496 V1551 | P1458-I1484 HydrophobicContact CB-CG2 3.89Å; T1459-I1484 CarbonylContact O-C 3.42Å; T1459-I1484 VanDerWaalsContact O-CA 3.29Å; T1459-I1484 WeakPolarHBondContact O-CA 3.36Å; T1459-I1484 WeakPolarHBondContact O-CG2 3.23Å; I1460-I1484 HydrophobicContact CG1-CG1 4.38Å; L1482-I1484 HydrophobicContact CD1-CD1 4.35Å; L1482-I1484 HydrophobicContact CD1-CG1 4.4Å; L1482-I1484 HydrophobicContact CG-CD1 4.38Å; I1484-I1494 HydrophobicContact CB-CG2 4.19Å; I1484-I1494 HydrophobicContact CG2-CD1 4.48Å; I1484-I1494 HydrophobicContact CG2-CG2 3.61Å; I1484-I1496 HydrophobicContact CD1-CD1 3.72Å; I1484-I1496 HydrophobicContact CD1-CG1 3.78Å; I1484-V1551 HydrophobicContact CD1-CG1 4.09Å; I1484-V1551 HydrophobicContact CD1-CG2 3.6Å; I1484-V1551 HydrophobicContact CG2-CG1 4.02Å |
| 1485 | T | 84.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.7 | -174.9 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | T1459 A1461 | T1459-T1485 PolarHBondContact N-O 2.74Å; T1459-T1485 PolarHBondContact O-N 2.91Å; T1459-T1485 PolarHBondContact OG1-O 2.89Å; T1459-T1485 PolarHBondContact OG1-OG1 3.48Å; A1461-T1485 HydrophobicContact CB-CG2 3.98Å |
| 1486 | D | 81.2 | Confident | 82.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | trans | -139.5 | 150.6 | 168.8 | -161.9 | 6.4 | 0 | 0 | 0 | 108.4 | P1458 T1489 I1494 | P1458-D1486 HydrophobicContact CB-CB 4.5Å; D1486-T1489 WeakPolarHBondContact OD2-CB 3.13Å; D1486-T1489 PolarHBondContact OD2-OG1 2.77Å; D1486-I1494 HydrophobicContact CB-CD1 4.1Å | ||
| 1487 | E | 72.4 | Confident | 82.8 | Confident | 167 Ų | 167 | 47.9 Ų | 47.9 | 78% | 0.78 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -91.6 | -22.9 | -173.6 | -70.4 | -166.4 | 154.8 | 0 | 0 | 113.4 | ||
| 1488 | D | 68.8 | Low | 82.8 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -122.8 | 8.3 | -179.8 | 47.5 | 10.1 | 0 | 0 | 0 | 114.4 | N1454 R1455 N1456 | N1454-D1488 WeakPolarHBondContact CA-OD2 3.1Å; R1455-D1488 PolarHBondContact N-OD2 2.76Å; N1456-D1488 PolarHBondContact N-OD1 2.7Å; N1456-D1488 PolarHBondContact N-OD2 3.35Å |
| 1489 | T | 71.4 | Confident | 82.9 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -121.6 | 129.7 | 170.5 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | N1454 D1486 Q1493 I1494 D1553 | N1454-T1489 PolarHBondContact ND2-OG1 3.1Å; D1486-T1489 WeakPolarHBondContact OD2-CB 3.13Å; D1486-T1489 PolarHBondContact OD2-OG1 2.77Å; T1489-Q1493 HydrophobicContact CG2-CB 3.73Å; T1489-I1494 HydrophobicContact CG2-CG1 4.13Å; T1489-D1553 HydrophobicContact CG2-CB 3.78Å |
| 1490 | P | 81.4 | Confident | 82.9 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | trans | -75.1 | 155.4 | 179.1 | 30.8 | -36.2 | 0 | 0 | 0 | 114.4 | N1492 Q1493 I1494 | P1490-N1492 WeakPolarHBondContact CG-OD1 3.19Å; P1490-N1492 PolarHBondContact O-N 2.82Å; P1490-Q1493 HydrophobicContact CG-CB 4.18Å; P1490-Q1493 HydrophobicContact CG-CG 4.01Å; P1490-Q1493 PolarHBondContact O-N 2.81Å; P1490-I1494 PolarHBondContact O-N 2.88Å | ||
| 1491 | E | 81.8 | Confident | 83.3 | Confident | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.8 | -173.8 | -59.3 | -172.3 | 146.5 | 0 | 0 | 115.2 | R1479 Q1521 A1522 N1525 | R1479-E1491 IonicContact CZ-OE1 2.6Å; R1479-E1491 IonicContact NH1-OE1 3.79Å; R1479-E1491 PolarHBondContact NH1-OE1 3.07Å; R1479-E1491 IonicContact NH2-OE1 3.8Å; E1491-Q1521 WeakPolarHBondContact O-CB 3.12Å; E1491-Q1521 PolarHBondContact O-N 3.37Å; E1491-A1522 HydrophobicContact CB-CB 4.45Å; E1491-A1522 PolarHBondContact O-N 3.47Å; E1491-N1525 PolarHBondContact OE1-ND2 3.49Å; E1491-N1525 PolarHBondContact OE2-ND2 3.1Å |
| 1492 | N | 84.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.8 | 178.6 | 66.6 | -24.1 | 0 | 0 | 0 | 114.1 | P1490 A1522 | P1490-N1492 WeakPolarHBondContact CG-OD1 3.19Å; P1490-N1492 PolarHBondContact O-N 2.82Å; N1492-A1522 HydrophobicContact CB-CB 4.14Å |
| 1493 | Q | 81 | Confident | 82.5 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -10.2 | 175.1 | -70.4 | 178 | -9.8 | 0 | 0 | 112.6 | T1489 P1490 V1495 | T1489-Q1493 HydrophobicContact CG2-CB 3.73Å; P1490-Q1493 HydrophobicContact CG-CB 4.18Å; P1490-Q1493 HydrophobicContact CG-CG 4.01Å; P1490-Q1493 PolarHBondContact O-N 2.81Å; Q1493-V1495 PolarHBondContact O-N 3.35Å |
| 1494 | I | 86.9 | Confident | 82 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -78.9 | 101.1 | 170.1 | -59.1 | 175.7 | 0 | 0 | 0 | 108.7 | I1484 D1486 T1489 P1490 T1520 Q1521 V1551 | I1484-I1494 HydrophobicContact CB-CG2 4.19Å; I1484-I1494 HydrophobicContact CG2-CD1 4.48Å; I1484-I1494 HydrophobicContact CG2-CG2 3.61Å; D1486-I1494 HydrophobicContact CB-CD1 4.1Å; T1489-I1494 HydrophobicContact CG2-CG1 4.13Å; P1490-I1494 PolarHBondContact O-N 2.88Å; I1494-T1520 VanDerWaalsContact O-CA 3.31Å; I1494-T1520 WeakPolarHBondContact O-CA 3.27Å; I1494-Q1521 HydrophobicContact CB-CB 4.18Å; I1494-Q1521 HydrophobicContact CG2-CB 4.21Å; I1494-Q1521 PolarHBondContact O-N 2.87Å; I1494-Q1521 VanDerWaalsContact O-N 3.08Å; I1494-V1551 HydrophobicContact CG2-CG1 3.96Å | ||
| 1495 | V | 89.2 | Confident | 82 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.8 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | Q1493 N1518 V1551 S1552 | Q1493-V1495 PolarHBondContact O-N 3.35Å; V1495-N1518 HydrophobicContact CG1-CB 4.29Å; V1495-V1551 CarbonylContact O-C 3.58Å; V1495-V1551 WeakPolarHBondContact O-CA 3.47Å; V1495-S1552 PolarHBondContact N-O 3.07Å; V1495-S1552 PolarHBondContact O-N 2.83Å |
| 1496 | I | 92 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 108.4 | 178.2 | -52.6 | 168.3 | 0 | 0 | 0 | 107.2 | L1482 I1484 N1518 F1519 I1524 F1549 S1550 | L1482-I1496 HydrophobicContact CD2-CD1 4.24Å; L1482-I1496 HydrophobicContact CD2-CG2 4.41Å; I1484-I1496 HydrophobicContact CD1-CD1 3.72Å; I1484-I1496 HydrophobicContact CD1-CG1 3.78Å; I1496-N1518 CarbonylContact O-C 3.32Å; I1496-N1518 VanDerWaalsContact O-CA 3.25Å; I1496-N1518 WeakPolarHBondContact O-CA 3.46Å; I1496-F1519 WeakPolarHBondContact CA-O 3.04Å; I1496-F1519 HydrophobicContact CB-CD2 4.04Å; I1496-F1519 HydrophobicContact CB-CE2 3.83Å; I1496-F1519 HydrophobicContact CB-CZ 4.21Å; I1496-F1519 WeakPolarHBondContact CB-O 3.34Å; I1496-F1519 HydrophobicContact CD1-CD2 4.02Å; I1496-F1519 HydrophobicContact CD1-CE2 3.68Å; I1496-F1519 HydrophobicContact CG1-CE2 4.36Å; I1496-F1519 HydrophobicContact CG2-CD2 4.44Å; I1496-F1519 HydrophobicContact CG2-CE1 4.38Å; I1496-F1519 HydrophobicContact CG2-CE2 3.76Å; I1496-F1519 HydrophobicContact CG2-CZ 3.72Å; I1496-F1519 PolarHBondContact N-O 2.94Å; I1496-F1519 PolarHBondContact O-N 2.87Å; I1496-F1519 VanDerWaalsContact O-O 3.13Å; I1496-I1524 HydrophobicContact CD1-CD1 3.51Å; I1496-I1524 HydrophobicContact CD1-CG1 4.41Å; I1496-F1549 HydrophobicContact CG2-CB 4.02Å; I1496-F1549 HydrophobicContact CG2-CD2 3.88Å; I1496-F1549 HydrophobicContact CG2-CG 4.21Å; I1496-S1550 WeakPolarHBondContact CA-O 3.32Å |
| 1497 | S | 89.4 | Confident | 82.7 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.1 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | S1517 F1549 S1550 | S1497-S1517 CarbonylContact C-O 3.57Å; S1497-S1517 WeakPolarHBondContact CA-O 3.43Å; S1497-F1549 CarbonylContact O-C 3.46Å; S1497-F1549 WeakPolarHBondContact O-CA 3.06Å; S1497-F1549 WeakPolarHBondContact O-CB 3.01Å; S1497-S1550 PolarHBondContact N-O 2.83Å; S1497-S1550 PolarHBondContact O-N 3.06Å |
| 1498 | V | 88.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.9 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | T1501 V1506 S1517 F1519 F1547 | V1498-T1501 HydrophobicContact CG1-CG2 3.53Å; V1498-V1506 HydrophobicContact CG1-CG2 4.44Å; V1498-V1506 HydrophobicContact CG2-CB 4.26Å; V1498-V1506 HydrophobicContact CG2-CG2 4.15Å; V1498-S1517 PolarHBondContact N-O 2.82Å; V1498-F1519 HydrophobicContact CG2-CD1 4.14Å; V1498-F1519 HydrophobicContact CG2-CE1 3.54Å; V1498-F1547 HydrophobicContact CG1-CB 4.4Å; V1498-F1547 HydrophobicContact CG1-CD2 4.22Å; V1498-F1547 HydrophobicContact CG2-CD2 4.32Å; V1498-F1547 HydrophobicContact CG2-CE2 4.47Å |
| 1499 | L | 82.9 | Confident | 84 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -49.6 | -174.8 | -60.8 | 168.8 | 0 | 0 | 0 | 111.1 | T1548 P1560 | L1499-T1548 PolarHBondContact N-O 2.85Å; L1499-P1560 HydrophobicContact CD1-CB 3.65Å; L1499-P1560 HydrophobicContact CD1-CG 3.63Å |
| 1500 | E | 82.1 | Confident | 84.2 | Confident | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.3 | 176.1 | -58.5 | -177.5 | 147.6 | 0 | 0 | 110.7 | Y1502 F1547 T1548 | E1500-Y1502 HydrophobicContact CB-CD2 4.39Å; E1500-Y1502 HydrophobicContact CB-CE2 3.67Å; E1500-Y1502 WeakPolarHBondContact OE2-CE2 3.11Å; E1500-Y1502 PolarHBondContact OE2-OH 2.97Å; E1500-F1547 CarbonylContact O-C 3.5Å; E1500-F1547 VanDerWaalsContact O-CA 3.28Å; E1500-F1547 WeakPolarHBondContact O-CA 3.49Å; E1500-F1547 VanDerWaalsContact O-CB 3.31Å; E1500-F1547 WeakPolarHBondContact O-CB 3.31Å; E1500-T1548 WeakPolarHBondContact CB-OG1 3.14Å; E1500-T1548 PolarHBondContact N-OG1 2.92Å; E1500-T1548 PolarHBondContact O-N 2.79Å; E1500-T1548 PolarHBondContact O-OG1 2.84Å |
| 1501 | T | 83 | Confident | 83.8 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.8 | 175.7 | 74.6 | 0 | 0 | 0 | 0 | 111.1 | V1498 G1504 F1547 | V1498-T1501 HydrophobicContact CG1-CG2 3.53Å; T1501-G1504 WeakPolarHBondContact CB-O 3.42Å; T1501-G1504 PolarHBondContact OG1-O 3.22Å; T1501-F1547 HydrophobicContact CG2-CB 3.86Å |
| 1502 | Y | 78.7 | Confident | 83.1 | Confident | 97 Ų | 97 | 58 Ų | 58 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.5 | -170.6 | -70.2 | -104.1 | 0 | 0 | 0 | 110.5 | E1500 G1504 G1546 W1562 | E1500-Y1502 HydrophobicContact CB-CD2 4.39Å; E1500-Y1502 HydrophobicContact CB-CE2 3.67Å; E1500-Y1502 WeakPolarHBondContact OE2-CE2 3.11Å; E1500-Y1502 PolarHBondContact OE2-OH 2.97Å; Y1502-G1504 PolarHBondContact O-N 2.82Å; Y1502-G1546 PolarHBondContact N-O 3.03Å; Y1502-G1546 PolarHBondContact O-N 2.77Å; Y1502-W1562 HydrophobicContact CD2-CH2 4.05Å; Y1502-W1562 AromaticContact CD2-CZ3 3.7Å; Y1502-W1562 HydrophobicContact CD2-CZ3 3.7Å; Y1502-W1562 HydrophobicContact CE2-CZ3 4.26Å; Y1502-W1562 HydrophobicContact CG-CH2 4.23Å; Y1502-W1562 HydrophobicContact CG-CZ3 4.33Å |
| 1503 | N | 74.4 | Confident | 82.3 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 52.7 | 35.5 | -176.3 | -69.2 | -35.6 | 0 | 0 | 0 | 113.7 | L1544 T1545 | N1503-L1544 PolarHBondContact ND2-O 3.34Å; N1503-T1545 HydrophobicContact CB-CG2 3.88Å |
| 1504 | G | 79.6 | Confident | 82.1 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 159.4 | -171.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | T1501 Y1502 A1532 | T1501-G1504 WeakPolarHBondContact CB-O 3.42Å; T1501-G1504 PolarHBondContact OG1-O 3.22Å; Y1502-G1504 PolarHBondContact O-N 2.82Å; G1504-A1532 CarbonylContact C-O 3.34Å; G1504-A1532 WeakPolarHBondContact CA-O 3.37Å |
| 1505 | F | 87.9 | Confident | 81.9 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 157.8 | 179.5 | 58.4 | -87.9 | 0 | 0 | 0 | 113 | T1507 P1512 K1515 F1531 A1532 | F1505-T1507 HydrophobicContact CD2-CG2 4.26Å; F1505-T1507 HydrophobicContact CE2-CG2 3.9Å; F1505-P1512 WeakPolarHBondContact CE2-O 3.33Å; F1505-K1515 HydrophobicContact CB-CD 3.62Å; F1505-K1515 HydrophobicContact CB-CG 4.03Å; F1505-K1515 HydrophobicContact CD1-CD 4.35Å; F1505-K1515 VanDerWaalsContact CD1-CE 3.44Å; F1505-K1515 HydrophobicContact CD2-CB 4.46Å; F1505-K1515 HydrophobicContact CD2-CD 4.14Å; F1505-K1515 HydrophobicContact CD2-CG 3.69Å; F1505-K1515 HydrophobicContact CE2-CG 4.29Å; F1505-K1515 HydrophobicContact CG-CD 3.8Å; F1505-K1515 HydrophobicContact CG-CG 3.9Å; F1505-F1531 CarbonylContact O-C 3.54Å; F1505-F1531 WeakPolarHBondContact O-CA 3.11Å; F1505-A1532 HydrophobicContact CD2-CB 4.49Å; F1505-A1532 HydrophobicContact CE1-CB 4.19Å; F1505-A1532 HydrophobicContact CE2-CB 4.08Å; F1505-A1532 HydrophobicContact CZ-CB 3.91Å; F1505-A1532 PolarHBondContact N-O 3.25Å; F1505-A1532 PolarHBondContact O-N 3.46Å |
| 1506 | V | 90.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.2 | 173.5 | -172.6 | 0 | 0 | 0 | 0 | 110 | I1477 V1498 K1515 L1516 F1519 V1529 I1530 F1531 F1547 | I1477-V1506 HydrophobicContact CD1-CG1 3.98Å; I1477-V1506 HydrophobicContact CD1-CG2 4.27Å; V1498-V1506 HydrophobicContact CG1-CG2 4.44Å; V1498-V1506 HydrophobicContact CG2-CB 4.26Å; V1498-V1506 HydrophobicContact CG2-CG2 4.15Å; V1506-K1515 WeakPolarHBondContact O-CA 3.25Å; V1506-L1516 HydrophobicContact CG1-CD1 4.38Å; V1506-L1516 PolarHBondContact O-N 3.21Å; V1506-F1519 HydrophobicContact CG1-CD1 4.18Å; V1506-F1519 HydrophobicContact CG1-CE1 3.78Å; V1506-V1529 HydrophobicContact CG1-CG1 3.37Å; V1506-I1530 WeakPolarHBondContact CA-O 3.32Å; V1506-F1531 HydrophobicContact CG2-CD2 4.06Å; V1506-F1547 HydrophobicContact CG2-CB 4.36Å; V1506-F1547 HydrophobicContact CG2-CD1 3.64Å; V1506-F1547 HydrophobicContact CG2-CD2 3.96Å; V1506-F1547 HydrophobicContact CG2-CE1 3.79Å; V1506-F1547 HydrophobicContact CG2-CE2 4.1Å; V1506-F1547 HydrophobicContact CG2-CG 3.73Å; V1506-F1547 HydrophobicContact CG2-CZ 4.02Å |
| 1507 | T | 90.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 166.2 | 179 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | F1505 N1511 P1512 R1514 I1530 | F1505-T1507 HydrophobicContact CD2-CG2 4.26Å; F1505-T1507 HydrophobicContact CE2-CG2 3.9Å; T1507-N1511 PolarHBondContact OG1-O 2.88Å; T1507-P1512 HydrophobicContact CG2-CB 4.34Å; T1507-P1512 WeakPolarHBondContact OG1-CA 3.18Å; T1507-R1514 VanDerWaalsContact CB-O 3.3Å; T1507-R1514 WeakPolarHBondContact CB-O 3.39Å; T1507-R1514 PolarHBondContact OG1-O 2.78Å; T1507-I1530 HydrophobicContact CG2-CD1 3.84Å; T1507-I1530 HydrophobicContact CG2-CG1 3.53Å; T1507-I1530 PolarHBondContact N-O 2.78Å; T1507-I1530 WeakPolarHBondContact O-CG1 3.48Å; T1507-I1530 PolarHBondContact O-N 2.89Å; T1507-I1530 VanDerWaalsContact O-O 3.11Å |
| 1508 | F | 86.9 | Confident | 81.2 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 13% | 0.127 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.1 | 169.6 | -74.7 | -49.7 | 0 | 0 | 0 | 109.8 | Y1510 N1511 L1516 F1519 D1523 R1528 V1529 | F1508-Y1510 HydrophobicContact CB-CD1 3.83Å; F1508-Y1510 HydrophobicContact CB-CE1 3.49Å; F1508-Y1510 VanDerWaalsContact CB-CE1 3.49Å; F1508-Y1510 HydrophobicContact CB-CE2 4.31Å; F1508-Y1510 HydrophobicContact CB-CG 4.38Å; F1508-Y1510 HydrophobicContact CD1-CE1 4.19Å; F1508-Y1510 AromaticContact CD2-CE1 3.86Å; F1508-Y1510 HydrophobicContact CD2-CE1 3.86Å; F1508-Y1510 HydrophobicContact CD2-CE2 4.36Å; F1508-Y1510 AromaticContact CD2-CZ 3.51Å; F1508-Y1510 WeakPolarHBondContact CD2-OH 3.32Å; F1508-Y1510 WeakPolarHBondContact CE2-OH 3.27Å; F1508-Y1510 HydrophobicContact CG-CD1 4.42Å; F1508-Y1510 AromaticContact CG-CE1 3.61Å; F1508-Y1510 HydrophobicContact CG-CE1 3.61Å; F1508-Y1510 AromaticContact CG-CZ 3.76Å; F1508-Y1510 PolarHBondContact O-N 2.8Å; F1508-Y1510 VanDerWaalsContact O-N 3.09Å; F1508-N1511 CarbonylContact O-C 3.48Å; F1508-N1511 PolarHBondContact O-N 3.39Å; F1508-L1516 HydrophobicContact CB-CD1 4.46Å; F1508-L1516 HydrophobicContact CD1-CD1 3.73Å; F1508-L1516 HydrophobicContact CD2-CD1 3.87Å; F1508-L1516 HydrophobicContact CD2-CD2 3.58Å; F1508-L1516 HydrophobicContact CD2-CG 4.26Å; F1508-L1516 HydrophobicContact CE1-CD1 3.86Å; F1508-L1516 HydrophobicContact CE2-CD1 4Å; F1508-L1516 HydrophobicContact CE2-CD2 3.52Å; F1508-L1516 HydrophobicContact CE2-CG 4.41Å; F1508-L1516 HydrophobicContact CG-CD1 3.73Å; F1508-L1516 HydrophobicContact CG-CD2 4.29Å; F1508-L1516 HydrophobicContact CG-CG 4.49Å; F1508-L1516 HydrophobicContact CZ-CD1 3.99Å; F1508-L1516 HydrophobicContact CZ-CD2 4.18Å; F1508-F1519 HydrophobicContact CE1-CB 4.43Å; F1508-F1519 HydrophobicContact CZ-CB 4.48Å; F1508-D1523 HydrophobicContact CE1-CB 4.16Å; F1508-R1528 WeakPolarHBondContact CA-O 3.27Å; F1508-R1528 HydrophobicContact CD1-CB 3.88Å; F1508-R1528 HydrophobicContact CE1-CB 4.11Å; F1508-V1529 HydrophobicContact CD1-CG2 4.11Å; F1508-V1529 HydrophobicContact CE1-CG2 3.86Å |
| 1509 | M | 80.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.2 | -177.7 | -166.4 | -157.2 | 177.2 | 0 | 0 | 113.3 | W1474 W1476 N1511 R1528 I1530 | W1474-M1509 HydrophobicContact CH2-CE 4.29Å; W1476-M1509 HydrophobicContact CH2-CB 3.95Å; W1476-M1509 HydrophobicContact CH2-CG 3.96Å; W1476-M1509 HydrophobicContact CH2-SD 3.27Å; W1476-M1509 WeakPolarHBondContact CH2-SD 3.42Å; W1476-M1509 HydrophobicContact CZ2-CE 4.4Å; W1476-M1509 HydrophobicContact CZ2-CG 4.48Å; W1476-M1509 HydrophobicContact CZ2-SD 3.56Å; W1476-M1509 VanDerWaalsContact CZ2-SD 3.56Å; W1476-M1509 HydrophobicContact CZ3-CB 4Å; W1476-M1509 HydrophobicContact CZ3-CG 4.42Å; W1476-M1509 HydrophobicContact CZ3-SD 4.25Å; M1509-N1511 VanDerWaalsContact C-N 3.3Å; M1509-N1511 PolarHBondContact O-N 2.96Å; M1509-R1528 PolarHBondContact N-O 3.24Å; M1509-I1530 HydrophobicContact CB-CD1 4.47Å; M1509-I1530 HydrophobicContact CB-CG2 4.27Å |
| 1510 | Y | 75.6 | Confident | 81.8 | Confident | 164 Ų | 164 | 65.8 Ų | 65.8 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8 | -179.9 | 64 | -99.3 | 0 | 0 | 0 | 114.3 | F1508 | F1508-Y1510 HydrophobicContact CB-CD1 3.83Å; F1508-Y1510 HydrophobicContact CB-CE1 3.49Å; F1508-Y1510 VanDerWaalsContact CB-CE1 3.49Å; F1508-Y1510 HydrophobicContact CB-CE2 4.31Å; F1508-Y1510 HydrophobicContact CB-CG 4.38Å; F1508-Y1510 HydrophobicContact CD1-CE1 4.19Å; F1508-Y1510 AromaticContact CD2-CE1 3.86Å; F1508-Y1510 HydrophobicContact CD2-CE1 3.86Å; F1508-Y1510 HydrophobicContact CD2-CE2 4.36Å; F1508-Y1510 AromaticContact CD2-CZ 3.51Å; F1508-Y1510 WeakPolarHBondContact CD2-OH 3.32Å; F1508-Y1510 WeakPolarHBondContact CE2-OH 3.27Å; F1508-Y1510 HydrophobicContact CG-CD1 4.42Å; F1508-Y1510 AromaticContact CG-CE1 3.61Å; F1508-Y1510 HydrophobicContact CG-CE1 3.61Å; F1508-Y1510 AromaticContact CG-CZ 3.76Å; F1508-Y1510 PolarHBondContact O-N 2.8Å; F1508-Y1510 VanDerWaalsContact O-N 3.09Å |
| 1511 | N | 74 | Confident | 82.2 | Confident | 73 Ų | 73 | 61 Ų | 61 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -148.9 | 66.5 | 176 | -167.6 | -15.1 | 0 | 0 | 0 | 111.4 | T1507 F1508 M1509 G1513 R1514 | T1507-N1511 PolarHBondContact OG1-O 2.88Å; F1508-N1511 CarbonylContact O-C 3.48Å; F1508-N1511 PolarHBondContact O-N 3.39Å; M1509-N1511 VanDerWaalsContact C-N 3.3Å; M1509-N1511 PolarHBondContact O-N 2.96Å; N1511-G1513 PolarHBondContact O-N 2.85Å; N1511-R1514 PolarHBondContact O-N 2.91Å | ||
| 1512 | P | 66.6 | Low | 82.5 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.9 | -170.2 | 27.9 | -35.5 | 0 | 0 | 0 | 114.4 | F1505 T1507 | F1505-P1512 WeakPolarHBondContact CE2-O 3.33Å; T1507-P1512 HydrophobicContact CG2-CB 4.34Å; T1507-P1512 WeakPolarHBondContact OG1-CA 3.18Å |
| 1513 | G | 67.5 | Low | 83.1 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 74% | 0.742 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1511 | N1511-G1513 PolarHBondContact O-N 2.85Š|
| 1514 | R | 78.1 | Confident | 83.8 | Confident | 177 Ų | 177 | 50.9 Ų | 50.9 | 67% | 0.668 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -102.3 | 111.6 | -176.6 | -173.8 | 175.3 | 179.3 | 177 | -0.3 | 110.8 | T1507 N1511 | T1507-R1514 VanDerWaalsContact CB-O 3.3Å; T1507-R1514 WeakPolarHBondContact CB-O 3.39Å; T1507-R1514 PolarHBondContact OG1-O 2.78Å; N1511-R1514 PolarHBondContact O-N 2.91Å |
| 1515 | K | 83.2 | Confident | 84 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 50% | 0.496 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 141.7 | 172.5 | -54.8 | -160.6 | 172.9 | -158.6 | 0 | 110.3 | F1505 V1506 | F1505-K1515 HydrophobicContact CB-CD 3.62Å; F1505-K1515 HydrophobicContact CB-CG 4.03Å; F1505-K1515 HydrophobicContact CD1-CD 4.35Å; F1505-K1515 VanDerWaalsContact CD1-CE 3.44Å; F1505-K1515 HydrophobicContact CD2-CB 4.46Å; F1505-K1515 HydrophobicContact CD2-CD 4.14Å; F1505-K1515 HydrophobicContact CD2-CG 3.69Å; F1505-K1515 HydrophobicContact CE2-CG 4.29Å; F1505-K1515 HydrophobicContact CG-CD 3.8Å; F1505-K1515 HydrophobicContact CG-CG 3.9Å; V1506-K1515 WeakPolarHBondContact O-CA 3.25Å |
| 1516 | L | 85.7 | Confident | 83.9 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | trans | -97.5 | 133.6 | 178.5 | -71 | 173.7 | 0 | 0 | 0 | 112.3 | V1506 F1508 | V1506-L1516 HydrophobicContact CG1-CD1 4.38Å; V1506-L1516 PolarHBondContact O-N 3.21Å; F1508-L1516 HydrophobicContact CB-CD1 4.46Å; F1508-L1516 HydrophobicContact CD1-CD1 3.73Å; F1508-L1516 HydrophobicContact CD2-CD1 3.87Å; F1508-L1516 HydrophobicContact CD2-CD2 3.58Å; F1508-L1516 HydrophobicContact CD2-CG 4.26Å; F1508-L1516 HydrophobicContact CE1-CD1 3.86Å; F1508-L1516 HydrophobicContact CE2-CD1 4Å; F1508-L1516 HydrophobicContact CE2-CD2 3.52Å; F1508-L1516 HydrophobicContact CE2-CG 4.41Å; F1508-L1516 HydrophobicContact CG-CD1 3.73Å; F1508-L1516 HydrophobicContact CG-CD2 4.29Å; F1508-L1516 HydrophobicContact CG-CG 4.49Å; F1508-L1516 HydrophobicContact CZ-CD1 3.99Å; F1508-L1516 HydrophobicContact CZ-CD2 4.18Å | ||
| 1517 | S | 80.8 | Confident | 83.5 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -82.9 | -28.6 | 167.3 | 42.7 | 0 | 0 | 0 | 0 | 112.9 | S1497 V1498 | S1497-S1517 CarbonylContact C-O 3.57Å; S1497-S1517 WeakPolarHBondContact CA-O 3.43Å; V1498-S1517 PolarHBondContact N-O 2.82Å |
| 1518 | N | 87.9 | Confident | 83.3 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 154.3 | -173.2 | 51.6 | -25.1 | 0 | 0 | 0 | 111.4 | V1495 I1496 | V1495-N1518 HydrophobicContact CG1-CB 4.29Å; I1496-N1518 CarbonylContact O-C 3.32Å; I1496-N1518 VanDerWaalsContact O-CA 3.25Å; I1496-N1518 WeakPolarHBondContact O-CA 3.46Å |
| 1519 | F | 91.9 | Very high | 83.4 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 166.1 | 173.6 | 54.1 | -91.5 | 0 | 0 | 0 | 109.3 | I1496 V1498 V1506 F1508 D1523 I1524 V1529 F1547 | I1496-F1519 WeakPolarHBondContact CA-O 3.04Å; I1496-F1519 HydrophobicContact CB-CD2 4.04Å; I1496-F1519 HydrophobicContact CB-CE2 3.83Å; I1496-F1519 HydrophobicContact CB-CZ 4.21Å; I1496-F1519 WeakPolarHBondContact CB-O 3.34Å; I1496-F1519 HydrophobicContact CD1-CD2 4.02Å; I1496-F1519 HydrophobicContact CD1-CE2 3.68Å; I1496-F1519 HydrophobicContact CG1-CE2 4.36Å; I1496-F1519 HydrophobicContact CG2-CD2 4.44Å; I1496-F1519 HydrophobicContact CG2-CE1 4.38Å; I1496-F1519 HydrophobicContact CG2-CE2 3.76Å; I1496-F1519 HydrophobicContact CG2-CZ 3.72Å; I1496-F1519 PolarHBondContact N-O 2.94Å; I1496-F1519 PolarHBondContact O-N 2.87Å; I1496-F1519 VanDerWaalsContact O-O 3.13Å; V1498-F1519 HydrophobicContact CG2-CD1 4.14Å; V1498-F1519 HydrophobicContact CG2-CE1 3.54Å; V1506-F1519 HydrophobicContact CG1-CD1 4.18Å; V1506-F1519 HydrophobicContact CG1-CE1 3.78Å; F1508-F1519 HydrophobicContact CE1-CB 4.43Å; F1508-F1519 HydrophobicContact CZ-CB 4.48Å; F1519-D1523 VanDerWaalsContact CA-OD2 3.28Å; F1519-D1523 WeakPolarHBondContact CA-OD2 3.3Å; F1519-D1523 HydrophobicContact CB-CB 4.15Å; F1519-D1523 VanDerWaalsContact CB-OD2 3.31Å; F1519-D1523 WeakPolarHBondContact CB-OD2 3.34Å; F1519-I1524 HydrophobicContact CD2-CG1 4.17Å; F1519-I1524 HydrophobicContact CE2-CD1 4Å; F1519-I1524 HydrophobicContact CE2-CG1 3.95Å; F1519-V1529 HydrophobicContact CB-CG2 3.95Å; F1519-V1529 HydrophobicContact CD1-CG1 4.23Å; F1519-V1529 HydrophobicContact CD2-CG2 3.92Å; F1519-V1529 HydrophobicContact CE1-CG1 4.27Å; F1519-V1529 HydrophobicContact CG-CG1 4.35Å; F1519-V1529 HydrophobicContact CG-CG2 3.9Å; F1519-V1529 HydrophobicContact CZ-CG1 4.43Å; F1519-F1547 HydrophobicContact CZ-CE2 4.28Å; F1519-F1547 HydrophobicContact CZ-CZ 4.38Å |
| 1520 | T | 92.5 | Very high | 83.8 | Confident | 25 Ų | 25 | 63 Ų | 63 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 167 | -179.5 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | I1494 A1522 D1523 I1524 | I1494-T1520 VanDerWaalsContact O-CA 3.31Å; I1494-T1520 WeakPolarHBondContact O-CA 3.27Å; T1520-A1522 PolarHBondContact O-N 2.92Å; T1520-A1522 WeakPolarHBondContact OG1-CB 3.5Å; T1520-A1522 PolarHBondContact OG1-N 2.84Å; T1520-D1523 VanDerWaalsContact N-CG 3.31Å; T1520-D1523 PolarHBondContact N-OD2 2.94Å; T1520-D1523 WeakPolarHBondContact O-CB 3.18Å; T1520-D1523 PolarHBondContact O-N 3.32Å; T1520-D1523 VanDerWaalsContact O-N 3.12Å; T1520-D1523 PolarHBondContact OG1-N 2.84Å; T1520-D1523 PolarHBondContact OG1-OD1 3.26Å; T1520-I1524 PolarHBondContact O-N 3.32Å |
| 1521 | Q | 91.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 167.9 | -177.5 | 62.1 | 60.1 | 0 | 0 | 111.4 | E1491 I1494 D1523 I1524 N1525 | E1491-Q1521 WeakPolarHBondContact O-CB 3.12Å; E1491-Q1521 PolarHBondContact O-N 3.37Å; I1494-Q1521 HydrophobicContact CB-CB 4.18Å; I1494-Q1521 HydrophobicContact CG2-CB 4.21Å; I1494-Q1521 PolarHBondContact O-N 2.87Å; I1494-Q1521 VanDerWaalsContact O-N 3.08Å; Q1521-D1523 VanDerWaalsContact C-N 3.29Å; Q1521-D1523 PolarHBondContact O-N 3.42Å; Q1521-I1524 WeakPolarHBondContact O-CB 3.19Å; Q1521-I1524 PolarHBondContact O-N 2.84Å; Q1521-N1525 PolarHBondContact NE2-OD1 2.97Å; Q1521-N1525 WeakPolarHBondContact O-CB 3.27Å; Q1521-N1525 PolarHBondContact O-N 3.11Å; Q1521-N1525 PolarHBondContact O-ND2 2.85Å; Q1521-N1525 PolarHBondContact O-OD1 2.88Å |
| 1522 | A | 89.4 | Confident | 85 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -37 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1491 N1492 T1520 I1524 N1525 E1526 | E1491-A1522 HydrophobicContact CB-CB 4.45Å; E1491-A1522 PolarHBondContact O-N 3.47Å; N1492-A1522 HydrophobicContact CB-CB 4.14Å; T1520-A1522 PolarHBondContact O-N 2.92Å; T1520-A1522 WeakPolarHBondContact OG1-CB 3.5Å; T1520-A1522 PolarHBondContact OG1-N 2.84Å; A1522-I1524 PolarHBondContact O-N 3.14Å; A1522-N1525 WeakPolarHBondContact O-CB 2.89Å; A1522-N1525 PolarHBondContact O-N 3.06Å; A1522-N1525 VanDerWaalsContact O-N 3.09Å; A1522-E1526 WeakPolarHBondContact O-CB 3.23Å; A1522-E1526 WeakPolarHBondContact O-CG 3.12Å; A1522-E1526 PolarHBondContact O-N 3.26Å |
| 1523 | D | 90.8 | Very high | 85.6 | Confident | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 178.1 | -54.9 | -11.2 | 0 | 0 | 0 | 113 | F1508 F1519 T1520 Q1521 R1527 R1528 V1529 | F1508-D1523 HydrophobicContact CE1-CB 4.16Å; F1519-D1523 VanDerWaalsContact CA-OD2 3.28Å; F1519-D1523 WeakPolarHBondContact CA-OD2 3.3Å; F1519-D1523 HydrophobicContact CB-CB 4.15Å; F1519-D1523 VanDerWaalsContact CB-OD2 3.31Å; F1519-D1523 WeakPolarHBondContact CB-OD2 3.34Å; T1520-D1523 VanDerWaalsContact N-CG 3.31Å; T1520-D1523 PolarHBondContact N-OD2 2.94Å; T1520-D1523 WeakPolarHBondContact O-CB 3.18Å; T1520-D1523 PolarHBondContact O-N 3.32Å; T1520-D1523 VanDerWaalsContact O-N 3.12Å; T1520-D1523 PolarHBondContact OG1-N 2.84Å; T1520-D1523 PolarHBondContact OG1-OD1 3.26Å; Q1521-D1523 VanDerWaalsContact C-N 3.29Å; Q1521-D1523 PolarHBondContact O-N 3.42Å; D1523-R1527 PolarHBondContact O-N 3.1Å; D1523-R1528 PolarHBondContact O-N 2.64Å; D1523-R1528 IonicContact OD1-CZ 2.68Å; D1523-R1528 IonicContact OD1-NH1 3.75Å; D1523-R1528 PolarHBondContact OD1-NH1 2.92Å; D1523-R1528 IonicContact OD1-NH2 3.88Å; D1523-R1528 PolarHBondContact OD1-NH2 2.85Å; D1523-R1528 IonicContact OD2-NH1 2.89Å; D1523-V1529 HydrophobicContact CB-CG2 3.79Å |
| 1524 | I | 89.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -45.8 | 169 | -65.7 | 175.6 | 0 | 0 | 0 | 109.8 | R1479 L1482 I1496 F1519 T1520 Q1521 A1522 E1526 R1527 | R1479-I1524 HydrophobicContact CB-CG2 4.5Å; L1482-I1524 HydrophobicContact CB-CD1 4.04Å; L1482-I1524 HydrophobicContact CD2-CD1 4.01Å; L1482-I1524 HydrophobicContact CG-CD1 4.01Å; I1496-I1524 HydrophobicContact CD1-CD1 3.51Å; I1496-I1524 HydrophobicContact CD1-CG1 4.41Å; F1519-I1524 HydrophobicContact CD2-CG1 4.17Å; F1519-I1524 HydrophobicContact CE2-CD1 4Å; F1519-I1524 HydrophobicContact CE2-CG1 3.95Å; T1520-I1524 PolarHBondContact O-N 3.32Å; Q1521-I1524 WeakPolarHBondContact O-CB 3.19Å; Q1521-I1524 PolarHBondContact O-N 2.84Å; A1522-I1524 PolarHBondContact O-N 3.14Å; I1524-E1526 PolarHBondContact O-N 3.32Å; I1524-R1527 PolarHBondContact O-N 3.04Å |
| 1525 | N | 82.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | -171.2 | -70.5 | -11.4 | 0 | 0 | 0 | 112.7 | R1479 E1491 Q1521 A1522 R1527 | R1479-N1525 WeakPolarHBondContact CG-OD1 3.32Å; R1479-N1525 VanDerWaalsContact CZ-ND2 3.26Å; R1479-N1525 PolarHBondContact NE-OD1 3.07Å; R1479-N1525 VanDerWaalsContact NE-OD1 3.11Å; R1479-N1525 PolarHBondContact NH1-ND2 3.18Å; R1479-N1525 VanDerWaalsContact NH2-CB 3.34Å; R1479-N1525 PolarHBondContact NH2-ND2 2.74Å; E1491-N1525 PolarHBondContact OE1-ND2 3.49Å; E1491-N1525 PolarHBondContact OE2-ND2 3.1Å; Q1521-N1525 PolarHBondContact NE2-OD1 2.97Å; Q1521-N1525 WeakPolarHBondContact O-CB 3.27Å; Q1521-N1525 PolarHBondContact O-N 3.11Å; Q1521-N1525 PolarHBondContact O-ND2 2.85Å; Q1521-N1525 PolarHBondContact O-OD1 2.88Å; A1522-N1525 WeakPolarHBondContact O-CB 2.89Å; A1522-N1525 PolarHBondContact O-N 3.06Å; A1522-N1525 VanDerWaalsContact O-N 3.09Å; N1525-R1527 PolarHBondContact O-N 2.8Å |
| 1526 | E | 85.3 | Confident | 83 | Confident | 121 Ų | 121 | 52.8 Ų | 52.8 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -3.8 | 173.2 | -69.1 | 170.9 | -159.4 | 0 | 0 | 113.3 | A1522 I1524 R1528 | A1522-E1526 WeakPolarHBondContact O-CB 3.23Å; A1522-E1526 WeakPolarHBondContact O-CG 3.12Å; A1522-E1526 PolarHBondContact O-N 3.26Å; I1524-E1526 PolarHBondContact O-N 3.32Å; E1526-R1528 HydrophobicContact CB-CG 4.33Å; E1526-R1528 IonicContact OE1-NH2 3.32Å; E1526-R1528 IonicContact OE2-CZ 3.82Å; E1526-R1528 IonicContact OE2-NE 2.72Å; E1526-R1528 PolarHBondContact OE2-NE 2.75Å; E1526-R1528 IonicContact OE2-NH2 3.3Å; E1526-R1528 PolarHBondContact OE2-NH2 3.06Å |
| 1527 | R | 82.7 | Confident | 80.9 | Confident | 180 Ų | 180 | 58.2 Ų | 58.2 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 61 | -173.4 | -49.9 | 177.7 | -172.1 | 176 | 2.1 | 111.7 | W1476 D1523 I1524 N1525 | W1476-R1527 HydrophobicContact CE3-CB 4.17Å; W1476-R1527 WeakPolarHBondContact CH2-O 3.2Å; W1476-R1527 HydrophobicContact CZ3-CB 4.12Å; W1476-R1527 WeakPolarHBondContact CZ3-O 3.16Å; D1523-R1527 PolarHBondContact O-N 3.1Å; I1524-R1527 PolarHBondContact O-N 3.04Å; N1525-R1527 PolarHBondContact O-N 2.8Å |
| 1528 | R | 85.5 | Confident | 78.8 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | trans | -98.5 | -25.4 | 170.5 | -69.4 | -168.1 | -91.4 | 104.4 | 1.9 | 113.1 | F1508 M1509 D1523 E1526 | F1508-R1528 WeakPolarHBondContact CA-O 3.27Å; F1508-R1528 HydrophobicContact CD1-CB 3.88Å; F1508-R1528 HydrophobicContact CE1-CB 4.11Å; M1509-R1528 PolarHBondContact N-O 3.24Å; D1523-R1528 PolarHBondContact O-N 2.64Å; D1523-R1528 IonicContact OD1-CZ 2.68Å; D1523-R1528 IonicContact OD1-NH1 3.75Å; D1523-R1528 PolarHBondContact OD1-NH1 2.92Å; D1523-R1528 IonicContact OD1-NH2 3.88Å; D1523-R1528 PolarHBondContact OD1-NH2 2.85Å; D1523-R1528 IonicContact OD2-NH1 2.89Å; E1526-R1528 HydrophobicContact CB-CG 4.33Å; E1526-R1528 IonicContact OE1-NH2 3.32Å; E1526-R1528 IonicContact OE2-CZ 3.82Å; E1526-R1528 IonicContact OE2-NE 2.72Å; E1526-R1528 PolarHBondContact OE2-NE 2.75Å; E1526-R1528 IonicContact OE2-NH2 3.3Å; E1526-R1528 PolarHBondContact OE2-NH2 3.06Å | ||
| 1529 | V | 89.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.2 | -170.7 | -168.7 | 0 | 0 | 0 | 0 | 112.9 | I1477 V1506 F1508 F1519 D1523 | I1477-V1529 HydrophobicContact CB-CB 4.34Å; I1477-V1529 HydrophobicContact CB-CG1 4.26Å; I1477-V1529 HydrophobicContact CD1-CG1 3.77Å; I1477-V1529 HydrophobicContact CG1-CG1 4.05Å; I1477-V1529 PolarHBondContact N-O 3.12Å; V1506-V1529 HydrophobicContact CG1-CG1 3.37Å; F1508-V1529 HydrophobicContact CD1-CG2 4.11Å; F1508-V1529 HydrophobicContact CE1-CG2 3.86Å; F1519-V1529 HydrophobicContact CB-CG2 3.95Å; F1519-V1529 HydrophobicContact CD1-CG1 4.23Å; F1519-V1529 HydrophobicContact CD2-CG2 3.92Å; F1519-V1529 HydrophobicContact CE1-CG1 4.27Å; F1519-V1529 HydrophobicContact CG-CG1 4.35Å; F1519-V1529 HydrophobicContact CG-CG2 3.9Å; F1519-V1529 HydrophobicContact CZ-CG1 4.43Å; D1523-V1529 HydrophobicContact CB-CG2 3.79Å |
| 1530 | I | 89.9 | Confident | 73.9 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.2 | 172.9 | 62.7 | 174.7 | 0 | 0 | 0 | 111 | W1474 N1475 W1476 V1506 T1507 M1509 | W1474-I1530 HydrophobicContact CB-CD1 4.2Å; W1474-I1530 HydrophobicContact CD2-CD1 4.41Å; W1474-I1530 HydrophobicContact CE3-CD1 4.26Å; W1474-I1530 HydrophobicContact CE3-CG2 4.13Å; W1474-I1530 HydrophobicContact CG-CD1 4.38Å; N1475-I1530 CarbonylContact O-C 3.5Å; N1475-I1530 WeakPolarHBondContact O-CA 3.48Å; W1476-I1530 HydrophobicContact CD2-CG2 3.87Å; W1476-I1530 HydrophobicContact CE3-CG2 3.42Å; W1476-I1530 VanDerWaalsContact CE3-CG2 3.42Å; W1476-I1530 HydrophobicContact CG-CG2 4.46Å; W1476-I1530 HydrophobicContact CZ3-CG2 3.79Å; V1506-I1530 WeakPolarHBondContact CA-O 3.32Å; T1507-I1530 HydrophobicContact CG2-CD1 3.84Å; T1507-I1530 HydrophobicContact CG2-CG1 3.53Å; T1507-I1530 PolarHBondContact N-O 2.78Å; T1507-I1530 WeakPolarHBondContact O-CG1 3.48Å; T1507-I1530 PolarHBondContact O-N 2.89Å; T1507-I1530 VanDerWaalsContact O-O 3.11Å; M1509-I1530 HydrophobicContact CB-CD1 4.47Å; M1509-I1530 HydrophobicContact CB-CG2 4.27Å |
| 1531 | F | 89.6 | Confident | 71.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.4 | 161.5 | -171 | -87.6 | 0 | 0 | 0 | 108.3 | I1466 F1468 W1474 N1475 I1477 F1505 V1506 I1533 T1545 F1547 V1565 | I1466-F1531 HydrophobicContact CD1-CB 4.03Å; F1468-F1531 HydrophobicContact CE2-CD1 4.23Å; F1468-F1531 HydrophobicContact CZ-CB 4.44Å; F1468-F1531 AromaticContact CZ-CD1 3.87Å; F1468-F1531 HydrophobicContact CZ-CD1 3.87Å; F1468-F1531 WeakPolarHBondContact CZ-O 3.44Å; W1474-F1531 CarbonylContact C-O 3.05Å; W1474-F1531 WeakPolarHBondContact CA-O 2.98Å; N1475-F1531 PolarHBondContact N-O 2.97Å; N1475-F1531 PolarHBondContact O-N 2.91Å; I1477-F1531 HydrophobicContact CD1-CB 4.47Å; F1505-F1531 CarbonylContact O-C 3.54Å; F1505-F1531 WeakPolarHBondContact O-CA 3.11Å; V1506-F1531 HydrophobicContact CG2-CD2 4.06Å; F1531-I1533 HydrophobicContact CE1-CG1 4.37Å; F1531-T1545 HydrophobicContact CE1-CG2 4.01Å; F1531-T1545 HydrophobicContact CZ-CG2 4.24Å; F1531-F1547 AromaticContact CD2-CD1 3.68Å; F1531-F1547 HydrophobicContact CD2-CD1 3.68Å; F1531-F1547 HydrophobicContact CD2-CE1 4.17Å; F1531-F1547 HydrophobicContact CE2-CB 4.35Å; F1531-F1547 AromaticContact CE2-CD1 3.85Å; F1531-F1547 HydrophobicContact CE2-CD1 3.85Å; F1531-V1565 HydrophobicContact CD1-CG1 4.47Å; F1531-V1565 HydrophobicContact CD1-CG2 3.83Å; F1531-V1565 HydrophobicContact CD2-CG2 4.36Å; F1531-V1565 HydrophobicContact CE1-CB 4.49Å; F1531-V1565 HydrophobicContact CE1-CG1 4.38Å; F1531-V1565 HydrophobicContact CE1-CG2 3.82Å; F1531-V1565 HydrophobicContact CE2-CG2 4.35Å; F1531-V1565 HydrophobicContact CG-CG2 4.11Å; F1531-V1565 HydrophobicContact CZ-CG2 4.08Å |
| 1532 | A | 85 | Confident | 68.8 | Low | 12 Ų | 12 | 74.8 Ų | 74.8 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1473 W1474 G1504 F1505 | D1473-A1532 WeakPolarHBondContact O-CA 3.32Å; W1474-A1532 HydrophobicContact CB-CB 4.12Å; G1504-A1532 CarbonylContact C-O 3.34Å; G1504-A1532 WeakPolarHBondContact CA-O 3.37Å; F1505-A1532 HydrophobicContact CD2-CB 4.49Å; F1505-A1532 HydrophobicContact CE1-CB 4.19Å; F1505-A1532 HydrophobicContact CE2-CB 4.08Å; F1505-A1532 HydrophobicContact CZ-CB 3.91Å; F1505-A1532 PolarHBondContact N-O 3.25Å; F1505-A1532 PolarHBondContact O-N 3.46Å |
| 1533 | I | 78.3 | Confident | 66.9 | Low | 27 Ų | 27 | 76.5 Ų | 76.5 | 14% | 0.138 | 40% | 0.399 | C | S | . | . | trans | -89.3 | 143.4 | 177.2 | -65.3 | 174.9 | 0 | 0 | 0 | 109.1 | F1468 D1473 F1531 | F1468-I1533 HydrophobicContact CD1-CD1 3.46Å; F1468-I1533 VanDerWaalsContact CD1-CD1 3.46Å; F1468-I1533 HydrophobicContact CD1-CG1 4.19Å; F1468-I1533 HydrophobicContact CE1-CD1 3.52Å; F1468-I1533 HydrophobicContact CE1-CG1 3.69Å; F1468-I1533 HydrophobicContact CG-CD1 4.06Å; F1468-I1533 HydrophobicContact CZ-CD1 4.18Å; F1468-I1533 HydrophobicContact CZ-CG1 4.11Å; D1473-I1533 PolarHBondContact O-N 3.09Å; F1531-I1533 HydrophobicContact CE1-CG1 4.37Å | ||
| 1534 | D | 71.1 | Confident | 65.2 | Low | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | trans | -78.4 | 126.5 | 175.1 | -77.8 | -42.7 | 0 | 0 | 0 | 110.9 | R1536 | D1534-R1536 PolarHBondContact O-N 3.1Š| ||
| 1535 | D | 53.4 | Low | 64.4 | Low | 144 Ų | 144 | 80.9 Ų | 80.9 | 77% | 0.77 | 42% | 0.424 | S | S | * | . | trans | -64 | 20.6 | -176 | -82.2 | -38.8 | 0 | 0 | 0 | 116.9 | P1537 | D1535-P1537 WeakPolarHBondContact O-CD 3.42Š| ||
| 1536 | R | 50.4 | Low | 64.4 | Low | 210 Ų | 210 | 79.5 Ų | 79.5 | 79% | 0.792 | 42% | 0.417 | S | S | * | . | trans | -97.7 | 116.6 | -171.3 | -63.8 | -173.7 | -177.3 | -175.1 | 2.3 | 111.7 | D1534 S1538 | D1534-R1536 PolarHBondContact O-N 3.1Å; R1536-S1538 PolarHBondContact O-N 3.21Å | ||
| 1537 | P | 40.9 | Very low | 64.6 | Low | 138 Ų | 138 | 73.7 Ų | 73.7 | 90% | 0.896 | 39% | 0.39 | S | S | * | . | trans | -72.4 | 96.5 | 176 | 29.4 | -34 | 0 | 0 | 0 | 111 | D1535 | D1535-P1537 WeakPolarHBondContact O-CD 3.42Š| ||
| 1538 | S | 37 | Very low | 64.7 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | trans | -99.7 | 125.1 | 170.1 | 44.3 | 0 | 0 | 0 | 0 | 110.6 | R1536 V1540 | R1536-S1538 PolarHBondContact O-N 3.21Å; S1538-V1540 VanDerWaalsContact C-N 3.26Å; S1538-V1540 PolarHBondContact O-N 2.91Å | ||
| 1539 | S | 39.3 | Very low | 65 | Low | 126 Ų | 126 | 63.3 Ų | 63.3 | 88% | 0.881 | 35% | 0.354 | S | S | * | . | trans | -86.1 | 50 | -169.5 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1540 | V | 37.1 | Very low | 64.9 | Low | 101 Ų | 101 | 64.3 Ų | 64.3 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | trans | -135 | 105.7 | -176.9 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | S1538 T1542 | S1538-V1540 VanDerWaalsContact C-N 3.26Å; S1538-V1540 PolarHBondContact O-N 2.91Å; V1540-T1542 HydrophobicContact CG1-CG2 3.71Å; V1540-T1542 PolarHBondContact O-N 3.22Å; V1540-T1542 VanDerWaalsContact O-N 3.09Å | ||
| 1541 | E | 36.2 | Very low | 64.8 | Low | 178 Ų | 178 | 64.3 Ų | 64.3 | 83% | 0.832 | 36% | 0.361 | S | S | * | . | trans | -69.2 | 95.5 | 161.2 | -63.1 | 179.9 | 137.7 | 0 | 0 | 107.6 | E717 | E717-E1541 WeakPolarHBondContact CG-O 3.49Š| ||
| 1542 | T | 41.5 | Very low | 64.5 | Low | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | trans | -150.5 | 83 | 161.4 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | E717 V1540 L1544 | E717-T1542 WeakPolarHBondContact OE1-CA 3.48Å; E717-T1542 PolarHBondContact OE1-N 2.84Å; V1540-T1542 HydrophobicContact CG1-CG2 3.71Å; V1540-T1542 PolarHBondContact O-N 3.22Å; V1540-T1542 VanDerWaalsContact O-N 3.09Å; T1542-L1544 PolarHBondContact O-N 2.92Å | ||
| 1543 | S | 49.4 | Very low | 64.3 | Low | 48 Ų | 48 | 65.6 Ų | 65.6 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 59.4 | -5.7 | 136 | 58.6 | 0 | 0 | 0 | 0 | 125.7 | E717 Y718 | E717-S1543 PolarHBondContact OE1-N 2.88Å; Y718-S1543 WeakPolarHBondContact CB-OG 3.26Å; Y718-S1543 PolarHBondContact N-OG 3.35Å |
| 1544 | L | 55.5 | Low | 63.8 | Low | 69 Ų | 69 | 70 Ų | 70 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | trans | -133 | 128.3 | 175.5 | -89.7 | 95.3 | 0 | 0 | 0 | 116.1 | N1503 T1542 W1562 | N1503-L1544 PolarHBondContact ND2-O 3.34Å; T1542-L1544 PolarHBondContact O-N 2.92Å; L1544-W1562 HydrophobicContact CD2-CH2 4.17Å; L1544-W1562 HydrophobicContact CD2-CZ2 4.02Å | ||
| 1545 | T | 71.9 | Confident | 63.5 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | trans | -145.2 | 138.4 | 165.6 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | N1503 F1531 W1562 V1565 | N1503-T1545 HydrophobicContact CB-CG2 3.88Å; F1531-T1545 HydrophobicContact CE1-CG2 4.01Å; F1531-T1545 HydrophobicContact CZ-CG2 4.24Å; T1545-W1562 WeakPolarHBondContact O-CZ2 3.43Å; T1545-V1565 HydrophobicContact CG2-CB 3.73Å; T1545-V1565 HydrophobicContact CG2-CG1 3.78Å; T1545-V1565 HydrophobicContact CG2-CG2 4.42Å; T1545-V1565 PolarHBondContact O-N 3.47Å | ||
| 1546 | G | 83.6 | Confident | 64.3 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | -159.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1502 W1562 L1563 | Y1502-G1546 PolarHBondContact N-O 3.03Å; Y1502-G1546 PolarHBondContact O-N 2.77Å; G1546-W1562 VanDerWaalsContact C-CH2 3.42Å; G1546-W1562 VanDerWaalsContact CA-CH2 3.49Å; G1546-L1563 VanDerWaalsContact CA-O 3.26Å; G1546-L1563 WeakPolarHBondContact CA-O 3.47Å |
| 1547 | F | 89 | Confident | 65.2 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 153.8 | 175.5 | 65.6 | -82.5 | 0 | 0 | 0 | 113.5 | I1466 I1477 V1498 E1500 T1501 V1506 F1519 F1531 F1549 W1562 L1563 | I1466-F1547 HydrophobicContact CD1-CE1 4.44Å; I1477-F1547 HydrophobicContact CD1-CE1 3.62Å; I1477-F1547 HydrophobicContact CD1-CZ 3.67Å; V1498-F1547 HydrophobicContact CG1-CB 4.4Å; V1498-F1547 HydrophobicContact CG1-CD2 4.22Å; V1498-F1547 HydrophobicContact CG2-CD2 4.32Å; V1498-F1547 HydrophobicContact CG2-CE2 4.47Å; E1500-F1547 CarbonylContact O-C 3.5Å; E1500-F1547 VanDerWaalsContact O-CA 3.28Å; E1500-F1547 WeakPolarHBondContact O-CA 3.49Å; E1500-F1547 VanDerWaalsContact O-CB 3.31Å; E1500-F1547 WeakPolarHBondContact O-CB 3.31Å; T1501-F1547 HydrophobicContact CG2-CB 3.86Å; V1506-F1547 HydrophobicContact CG2-CB 4.36Å; V1506-F1547 HydrophobicContact CG2-CD1 3.64Å; V1506-F1547 HydrophobicContact CG2-CD2 3.96Å; V1506-F1547 HydrophobicContact CG2-CE1 3.79Å; V1506-F1547 HydrophobicContact CG2-CE2 4.1Å; V1506-F1547 HydrophobicContact CG2-CG 3.73Å; V1506-F1547 HydrophobicContact CG2-CZ 4.02Å; F1519-F1547 HydrophobicContact CZ-CE2 4.28Å; F1519-F1547 HydrophobicContact CZ-CZ 4.38Å; F1531-F1547 AromaticContact CD2-CD1 3.68Å; F1531-F1547 HydrophobicContact CD2-CD1 3.68Å; F1531-F1547 HydrophobicContact CD2-CE1 4.17Å; F1531-F1547 HydrophobicContact CE2-CB 4.35Å; F1531-F1547 AromaticContact CE2-CD1 3.85Å; F1531-F1547 HydrophobicContact CE2-CD1 3.85Å; F1547-F1549 HydrophobicContact CD2-CB 4.22Å; F1547-F1549 HydrophobicContact CD2-CD1 4.44Å; F1547-F1549 HydrophobicContact CE2-CB 4.06Å; F1547-F1549 HydrophobicContact CE2-CD1 4.1Å; F1547-F1549 HydrophobicContact CE2-CG 4.38Å; F1547-W1562 VanDerWaalsContact O-CE3 3.28Å; F1547-L1563 HydrophobicContact CD1-CB 4.45Å; F1547-L1563 HydrophobicContact CE1-CB 4.02Å; F1547-L1563 HydrophobicContact CE1-CD2 3.79Å; F1547-L1563 HydrophobicContact CE1-CG 4.32Å; F1547-L1563 HydrophobicContact CZ-CB 4.06Å; F1547-L1563 HydrophobicContact CZ-CD2 3.72Å; F1547-L1563 HydrophobicContact CZ-CG 4.48Å; F1547-L1563 PolarHBondContact N-O 3.09Å; F1547-L1563 PolarHBondContact O-N 3.39Å |
| 1548 | T | 86 | Confident | 66.7 | Low | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143.1 | 169.5 | 51 | 0 | 0 | 0 | 0 | 110.7 | L1499 E1500 D1561 W1562 | L1499-T1548 PolarHBondContact N-O 2.85Å; E1500-T1548 WeakPolarHBondContact CB-OG1 3.14Å; E1500-T1548 PolarHBondContact N-OG1 2.92Å; E1500-T1548 PolarHBondContact O-N 2.79Å; E1500-T1548 PolarHBondContact O-OG1 2.84Å; T1548-D1561 CarbonylContact C-O 3.59Å; T1548-D1561 VanDerWaalsContact CA-O 3.27Å; T1548-D1561 WeakPolarHBondContact CA-O 3.45Å; T1548-W1562 HydrophobicContact CG2-CE3 3.75Å; T1548-W1562 HydrophobicContact CG2-CZ3 4.32Å |
| 1549 | F | 90.7 | Very high | 68 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.7 | -180 | 68.4 | -85 | 0 | 0 | 0 | 112.6 | L1482 I1496 S1497 F1547 V1551 P1560 D1561 L1563 | L1482-F1549 HydrophobicContact CD1-CE2 4.1Å; L1482-F1549 HydrophobicContact CD1-CZ 3.77Å; L1482-F1549 HydrophobicContact CD2-CE2 4.28Å; L1482-F1549 HydrophobicContact CD2-CZ 4.29Å; I1496-F1549 HydrophobicContact CG2-CB 4.02Å; I1496-F1549 HydrophobicContact CG2-CD2 3.88Å; I1496-F1549 HydrophobicContact CG2-CG 4.21Å; S1497-F1549 CarbonylContact O-C 3.46Å; S1497-F1549 WeakPolarHBondContact O-CA 3.06Å; S1497-F1549 WeakPolarHBondContact O-CB 3.01Å; F1547-F1549 HydrophobicContact CD2-CB 4.22Å; F1547-F1549 HydrophobicContact CD2-CD1 4.44Å; F1547-F1549 HydrophobicContact CE2-CB 4.06Å; F1547-F1549 HydrophobicContact CE2-CD1 4.1Å; F1547-F1549 HydrophobicContact CE2-CG 4.38Å; F1549-V1551 HydrophobicContact CD2-CG2 4.02Å; F1549-V1551 HydrophobicContact CE2-CG2 3.99Å; F1549-P1560 CarbonylContact O-C 3.47Å; F1549-P1560 WeakPolarHBondContact O-CA 3.49Å; F1549-D1561 WeakPolarHBondContact CD1-O 3.38Å; F1549-D1561 HydrophobicContact CE1-CB 4.3Å; F1549-D1561 HydrophobicContact CE2-CB 4.49Å; F1549-D1561 HydrophobicContact CZ-CB 4.08Å; F1549-D1561 PolarHBondContact N-O 2.86Å; F1549-D1561 PolarHBondContact O-N 3.02Å; F1549-L1563 HydrophobicContact CD1-CB 4.34Å; F1549-L1563 HydrophobicContact CE1-CB 4.03Å |
| 1550 | S | 87.6 | Confident | 69.7 | Low | 22 Ų | 22 | 61.5 Ų | 61.5 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 158.5 | 168.3 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | I1496 S1497 | I1496-S1550 WeakPolarHBondContact CA-O 3.32Å; S1497-S1550 PolarHBondContact N-O 2.83Å; S1497-S1550 PolarHBondContact O-N 3.06Å |
| 1551 | V | 88.4 | Confident | 71.7 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143 | -174.9 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | P1458 I1484 I1494 V1495 F1549 S1557 L1558 | P1458-V1551 HydrophobicContact CB-CG1 4.04Å; P1458-V1551 HydrophobicContact CG-CG1 4.05Å; I1484-V1551 HydrophobicContact CD1-CG1 4.09Å; I1484-V1551 HydrophobicContact CD1-CG2 3.6Å; I1484-V1551 HydrophobicContact CG2-CG1 4.02Å; I1494-V1551 HydrophobicContact CG2-CG1 3.96Å; V1495-V1551 CarbonylContact O-C 3.58Å; V1495-V1551 WeakPolarHBondContact O-CA 3.47Å; F1549-V1551 HydrophobicContact CD2-CG2 4.02Å; F1549-V1551 HydrophobicContact CE2-CG2 3.99Å; V1551-S1557 CarbonylContact O-C 3.58Å; V1551-S1557 WeakPolarHBondContact O-CA 3.26Å; V1551-S1557 WeakPolarHBondContact O-CB 3.42Å; V1551-S1557 PolarHBondContact O-OG 2.91Å; V1551-L1558 HydrophobicContact CB-CB 4.12Å; V1551-L1558 HydrophobicContact CB-CD1 4.09Å; V1551-L1558 HydrophobicContact CB-CG 4.27Å; V1551-L1558 HydrophobicContact CG2-CD1 4.23Å; V1551-L1558 PolarHBondContact O-N 3.13Å |
| 1552 | S | 83.1 | Confident | 74 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151.4 | 168.5 | -175 | 0 | 0 | 0 | 0 | 112.6 | V1495 S1554 Y1556 | V1495-S1552 PolarHBondContact N-O 3.07Å; V1495-S1552 PolarHBondContact O-N 2.83Å; S1552-S1554 PolarHBondContact OG-N 3.06Å; S1552-S1554 VanDerWaalsContact OG-N 3.13Å; S1552-Y1556 WeakPolarHBondContact CA-O 3.46Å; S1552-Y1556 WeakPolarHBondContact CB-O 3.42Å; S1552-Y1556 PolarHBondContact OG-O 2.83Å |
| 1553 | D | 79.7 | Confident | 76.1 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | trans | -105 | 14.9 | 171.8 | 65.9 | -13 | 0 | 0 | 0 | 112.5 | N1454 P1458 T1489 K1555 Y1556 | N1454-D1553 PolarHBondContact ND2-OD2 3.08Å; P1458-D1553 HydrophobicContact CG-CB 4.19Å; T1489-D1553 HydrophobicContact CG2-CB 3.78Å; D1553-K1555 PolarHBondContact OD1-N 2.98Å; D1553-Y1556 PolarHBondContact N-O 2.8Å; D1553-Y1556 WeakPolarHBondContact OD1-CA 3.37Å; D1553-Y1556 PolarHBondContact OD1-N 3.35Å; D1553-Y1556 WeakPolarHBondContact OD2-CD2 3.02Å | ||
| 1554 | S | 68.9 | Low | 77.4 | Confident | 120 Ų | 120 | 50.6 Ų | 50.6 | 84% | 0.839 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 76.9 | -10 | -167.2 | 79 | 0 | 0 | 0 | 0 | 118 | S1552 | S1552-S1554 PolarHBondContact OG-N 3.06Å; S1552-S1554 VanDerWaalsContact OG-N 3.13Å |
| 1555 | K | 64.6 | Low | 78.4 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -127.1 | -30.8 | -176.3 | 175 | 159.5 | 158.4 | -82.4 | 0 | 114.2 | N1454 D1553 | N1454-K1555 PolarHBondContact O-NZ 2.95Å; N1454-K1555 WeakPolarHBondContact OD1-CD 3.46Å; N1454-K1555 PolarHBondContact OD1-NZ 2.89Å; D1553-K1555 PolarHBondContact OD1-N 2.98Å |
| 1556 | Y | 70.6 | Confident | 78.1 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | trans | -121.2 | 160.7 | 171.6 | -59.8 | -68.3 | 0 | 0 | 0 | 109.3 | N1454 R1455 N1456 S1552 D1553 | N1454-Y1556 VanDerWaalsContact OD1-CE2 3.27Å; N1454-Y1556 WeakPolarHBondContact OD1-CE2 3.38Å; R1455-Y1556 PolarHBondContact O-OH 2.84Å; N1456-Y1556 WeakPolarHBondContact O-CD2 3.1Å; N1456-Y1556 WeakPolarHBondContact O-CE2 3.44Å; S1552-Y1556 WeakPolarHBondContact CA-O 3.46Å; S1552-Y1556 WeakPolarHBondContact CB-O 3.42Å; S1552-Y1556 PolarHBondContact OG-O 2.83Å; D1553-Y1556 PolarHBondContact N-O 2.8Å; D1553-Y1556 WeakPolarHBondContact OD1-CA 3.37Å; D1553-Y1556 PolarHBondContact OD1-N 3.35Å; D1553-Y1556 WeakPolarHBondContact OD2-CD2 3.02Å | ||
| 1557 | S | 69.2 | Low | 77.1 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.8 | 175 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | V1551 | V1551-S1557 CarbonylContact O-C 3.58Å; V1551-S1557 WeakPolarHBondContact O-CA 3.26Å; V1551-S1557 WeakPolarHBondContact O-CB 3.42Å; V1551-S1557 PolarHBondContact O-OG 2.91Å |
| 1558 | L | 72.6 | Confident | 75.2 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 141.3 | 171.5 | -61.7 | 179.6 | 0 | 0 | 0 | 110.1 | P1458 I1460 V1551 | P1458-L1558 WeakPolarHBondContact O-CD1 3.17Å; P1458-L1558 WeakPolarHBondContact O-CD2 3.25Å; I1460-L1558 HydrophobicContact CD1-CD1 4.21Å; I1460-L1558 HydrophobicContact CG1-CD1 3.82Å; V1551-L1558 HydrophobicContact CB-CB 4.12Å; V1551-L1558 HydrophobicContact CB-CD1 4.09Å; V1551-L1558 HydrophobicContact CB-CG 4.27Å; V1551-L1558 HydrophobicContact CG2-CD1 4.23Å; V1551-L1558 PolarHBondContact O-N 3.13Å |
| 1559 | M | 62.4 | Low | 73.3 | Confident | 166 Ų | 166 | 65.8 Ų | 65.8 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58 | 155 | 172.8 | -66.5 | -178.9 | 70.7 | 0 | 0 | 111.7 | D1561 | M1559-D1561 PolarHBondContact O-N 3.48Å |
| 1560 | P | 76.3 | Confident | 70.9 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 134.8 | 177.6 | -29.2 | 36.9 | 0 | 0 | 0 | 114.1 | L1499 F1549 | L1499-P1560 HydrophobicContact CD1-CB 3.65Å; L1499-P1560 HydrophobicContact CD1-CG 3.63Å; F1549-P1560 CarbonylContact O-C 3.47Å; F1549-P1560 WeakPolarHBondContact O-CA 3.49Å |
| 1561 | D | 78.6 | Confident | 68.7 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 168.6 | 177.5 | -164.3 | 8.8 | 0 | 0 | 0 | 111.1 | K1463 T1548 F1549 M1559 | K1463-D1561 WeakPolarHBondContact CE-OD2 3.49Å; K1463-D1561 IonicContact NZ-OD1 2.74Å; K1463-D1561 PolarHBondContact NZ-OD1 3.41Å; K1463-D1561 IonicContact NZ-OD2 3.64Å; K1463-D1561 PolarHBondContact NZ-OD2 3.1Å; T1548-D1561 CarbonylContact C-O 3.59Å; T1548-D1561 VanDerWaalsContact CA-O 3.27Å; T1548-D1561 WeakPolarHBondContact CA-O 3.45Å; F1549-D1561 WeakPolarHBondContact CD1-O 3.38Å; F1549-D1561 HydrophobicContact CE1-CB 4.3Å; F1549-D1561 HydrophobicContact CE2-CB 4.49Å; F1549-D1561 HydrophobicContact CZ-CB 4.08Å; F1549-D1561 PolarHBondContact N-O 2.86Å; F1549-D1561 PolarHBondContact O-N 3.02Å; M1559-D1561 PolarHBondContact O-N 3.48Å |
| 1562 | W | 83.6 | Confident | 66.9 | Low | 75 Ų | 75 | 82 Ų | 82 | 28% | 0.284 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | -169.1 | 170.9 | -102.9 | 0 | 0 | 0 | 113.5 | K1463 Y1502 L1544 T1545 G1546 F1547 T1548 | K1463-W1562 WeakPolarHBondContact CE-O 3.24Å; K1463-W1562 PolarHBondContact NZ-O 3.48Å; Y1502-W1562 HydrophobicContact CD2-CH2 4.05Å; Y1502-W1562 AromaticContact CD2-CZ3 3.7Å; Y1502-W1562 HydrophobicContact CD2-CZ3 3.7Å; Y1502-W1562 HydrophobicContact CE2-CZ3 4.26Å; Y1502-W1562 HydrophobicContact CG-CH2 4.23Å; Y1502-W1562 HydrophobicContact CG-CZ3 4.33Å; L1544-W1562 HydrophobicContact CD2-CH2 4.17Å; L1544-W1562 HydrophobicContact CD2-CZ2 4.02Å; T1545-W1562 WeakPolarHBondContact O-CZ2 3.43Å; G1546-W1562 VanDerWaalsContact C-CH2 3.42Å; G1546-W1562 VanDerWaalsContact CA-CH2 3.49Å; F1547-W1562 VanDerWaalsContact O-CE3 3.28Å; T1548-W1562 HydrophobicContact CG2-CE3 3.75Å; T1548-W1562 HydrophobicContact CG2-CZ3 4.32Å |
| 1563 | L | 86.3 | Confident | 65.5 | Low | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.4 | 168.2 | -167.7 | 65.4 | 0 | 0 | 0 | 110.7 | K1463 I1466 I1477 L1482 G1546 F1547 F1549 | K1463-L1563 HydrophobicContact CG-CD1 4.22Å; I1466-L1563 HydrophobicContact CD1-CD2 4.07Å; I1466-L1563 HydrophobicContact CG1-CD2 4.24Å; I1477-L1563 HydrophobicContact CG2-CD2 4.21Å; L1482-L1563 HydrophobicContact CB-CD2 4.35Å; G1546-L1563 VanDerWaalsContact CA-O 3.26Å; G1546-L1563 WeakPolarHBondContact CA-O 3.47Å; F1547-L1563 HydrophobicContact CD1-CB 4.45Å; F1547-L1563 HydrophobicContact CE1-CB 4.02Å; F1547-L1563 HydrophobicContact CE1-CD2 3.79Å; F1547-L1563 HydrophobicContact CE1-CG 4.32Å; F1547-L1563 HydrophobicContact CZ-CB 4.06Å; F1547-L1563 HydrophobicContact CZ-CD2 3.72Å; F1547-L1563 HydrophobicContact CZ-CG 4.48Å; F1547-L1563 PolarHBondContact N-O 3.09Å; F1547-L1563 PolarHBondContact O-N 3.39Å; F1549-L1563 HydrophobicContact CD1-CB 4.34Å; F1549-L1563 HydrophobicContact CE1-CB 4.03Å |
| 1564 | G | 77.3 | Confident | 64.7 | Low | 16 Ų | 16 | 82.1 Ų | 82.1 | 17% | 0.165 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 155 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1465 I1466 | P1465-G1564 CarbonylContact C-O 3.55Å; P1465-G1564 VanDerWaalsContact CA-O 3.23Å; P1465-G1564 WeakPolarHBondContact CA-O 3.16Å; P1465-G1564 WeakPolarHBondContact CB-O 3.32Å; I1466-G1564 PolarHBondContact N-O 3.43Å |
| 1565 | V | 77.1 | Confident | 64.1 | Low | 12 Ų | 12 | 79.2 Ų | 79.2 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.5 | 179.9 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | I1466 F1468 F1531 T1545 | I1466-V1565 HydrophobicContact CB-CG2 4.15Å; I1466-V1565 HydrophobicContact CD1-CG2 4.25Å; I1466-V1565 CarbonylContact O-C 3.41Å; I1466-V1565 WeakPolarHBondContact O-CA 3.43Å; F1468-V1565 HydrophobicContact CD2-CG1 3.53Å; F1468-V1565 HydrophobicContact CE2-CG1 3.46Å; F1468-V1565 VanDerWaalsContact CE2-CG1 3.46Å; F1468-V1565 HydrophobicContact CG-CG1 4.46Å; F1468-V1565 HydrophobicContact CZ-CG1 4.34Å; F1531-V1565 HydrophobicContact CD1-CG1 4.47Å; F1531-V1565 HydrophobicContact CD1-CG2 3.83Å; F1531-V1565 HydrophobicContact CD2-CG2 4.36Å; F1531-V1565 HydrophobicContact CE1-CB 4.49Å; F1531-V1565 HydrophobicContact CE1-CG1 4.38Å; F1531-V1565 HydrophobicContact CE1-CG2 3.82Å; F1531-V1565 HydrophobicContact CE2-CG2 4.35Å; F1531-V1565 HydrophobicContact CG-CG2 4.11Å; F1531-V1565 HydrophobicContact CZ-CG2 4.08Å; T1545-V1565 HydrophobicContact CG2-CB 3.73Å; T1545-V1565 HydrophobicContact CG2-CG1 3.78Å; T1545-V1565 HydrophobicContact CG2-CG2 4.42Å; T1545-V1565 PolarHBondContact O-N 3.47Å |
| 1566 | L | 65.1 | Low | 64.2 | Low | 95 Ų | 95 | 76 Ų | 76 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.9 | -175.5 | -61.9 | 174.6 | 0 | 0 | 0 | 111.1 | P1465 I1466 I1467 F1468 | P1465-L1566 HydrophobicContact CB-CD1 3.97Å; P1465-L1566 HydrophobicContact CB-CG 4.21Å; P1465-L1566 HydrophobicContact CG-CD1 3.84Å; I1466-L1566 PolarHBondContact O-N 2.95Å; I1467-L1566 CarbonylContact C-O 3.58Å; I1467-L1566 WeakPolarHBondContact CA-O 3.35Å; F1468-L1566 PolarHBondContact N-O 2.75Å |
| 1567 | R | 63 | Low | 64.3 | Low | 196 Ų | 196 | 73.9 Ų | 73.9 | 74% | 0.74 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.1 | 168.1 | -88.7 | -178.5 | 168 | 162.9 | -2.4 | 110.5 | ||
| 1568 | G | 48.6 | Very low | 64.5 | Low | 31 Ų | 31 | 73.9 Ų | 73.9 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | trans | -71.4 | 136.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1468 | F1468-G1568 WeakPolarHBondContact O-CA 3.13Å; F1468-G1568 PolarHBondContact O-N 3.07Å | ||
| 1569 | N | 45.1 | Very low | 64.9 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 66% | 0.663 | 39% | 0.387 | S | S | * | . | trans | -93.3 | 113.2 | -173.9 | -157.7 | -21.8 | 0 | 0 | 0 | 110.1 | K1571 N1572 | N1569-K1571 PolarHBondContact O-N 2.78Å; N1569-N1572 PolarHBondContact O-N 2.88Å | ||
| 1570 | S | 39.8 | Very low | 66.1 | Low | 73 Ų | 73 | 67.5 Ų | 67.5 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 20.5 | -158.3 | 59.8 | 0 | 0 | 0 | 0 | 117.3 | Q1470 | Q1470-S1570 PolarHBondContact OE1-OG 3.27Š|
| 1571 | K | 43 | Very low | 66.5 | Low | 185 Ų | 185 | 67.4 Ų | 67.4 | 80% | 0.804 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -0.9 | 174.3 | -65.1 | -177.3 | 178.9 | 177.3 | 0 | 113.6 | N1569 | N1569-K1571 PolarHBondContact O-N 2.78Š|
| 1572 | N | 49.4 | Very low | 66.8 | Low | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | trans | -111.2 | 120.8 | -179.9 | -68.5 | -31.5 | 0 | 0 | 0 | 111.5 | N1569 I1574 | N1569-N1572 PolarHBondContact O-N 2.88Å; N1572-I1574 VanDerWaalsContact C-N 3.29Å; N1572-I1574 PolarHBondContact O-N 3.33Å | ||
| 1573 | A | 55 | Low | 66.7 | Low | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -72.8 | -19 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1597 S1598 L1599 F1673 | A1573-T1597 WeakPolarHBondContact O-CA 3.39Å; A1573-T1597 VanDerWaalsContact O-CG2 3.24Å; A1573-T1597 WeakPolarHBondContact O-CG2 3.43Å; A1573-S1598 PolarHBondContact O-N 2.9Å; A1573-L1599 HydrophobicContact CB-CD2 3.75Å; A1573-L1599 HydrophobicContact CB-CG 4.35Å; A1573-F1673 HydrophobicContact CB-CD1 3.79Å; A1573-F1673 HydrophobicContact CB-CD2 3.89Å; A1573-F1673 HydrophobicContact CB-CE1 3.87Å; A1573-F1673 HydrophobicContact CB-CE2 3.98Å; A1573-F1673 HydrophobicContact CB-CG 3.8Å; A1573-F1673 HydrophobicContact CB-CZ 3.96Å |
| 1574 | I | 61.2 | Low | 66.6 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.3 | -177.8 | -63.4 | 152.2 | 0 | 0 | 0 | 107 | N1572 L1595 T1597 Y1659 V1661 K1677 | N1572-I1574 VanDerWaalsContact C-N 3.29Å; N1572-I1574 PolarHBondContact O-N 3.33Å; I1574-L1595 HydrophobicContact CG2-CD1 4.44Å; I1574-T1597 WeakPolarHBondContact CG1-OG1 3.1Å; I1574-Y1659 HydrophobicContact CD1-CE2 3.76Å; I1574-V1661 HydrophobicContact CD1-CG2 4.01Å; I1574-V1661 HydrophobicContact CG1-CG2 4.04Å; I1574-K1677 HydrophobicContact CD1-CB 4.46Å; I1574-K1677 HydrophobicContact CD1-CG 3.62Å |
| 1575 | E | 57.2 | Low | 66.9 | Low | 58 Ų | 58 | 64.8 Ų | 64.8 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -39.8 | -178.1 | -64.9 | -169.1 | 161.5 | 0 | 0 | 111.3 | S1469 Y1596 S1598 | S1469-E1575 PolarHBondContact OG-OE1 3.13Å; E1575-Y1596 HydrophobicContact CB-CD1 4.16Å; E1575-Y1596 HydrophobicContact CG-CD1 4.37Å; E1575-Y1596 PolarHBondContact N-O 3.12Å; E1575-Y1596 VanDerWaalsContact OE2-CD1 3.31Å; E1575-Y1596 WeakPolarHBondContact OE2-CD1 3.46Å; E1575-Y1596 VanDerWaalsContact OE2-CE1 3.29Å; E1575-Y1596 WeakPolarHBondContact OE2-CE1 3.27Å; E1575-S1598 VanDerWaalsContact CD-CB 3.41Å; E1575-S1598 WeakPolarHBondContact OE1-CB 3.41Å |
| 1576 | W | 66.2 | Low | 67.2 | Low | 45 Ų | 45 | 64.7 Ų | 64.7 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 157.4 | 172 | 55.9 | 81.1 | 0 | 0 | 0 | 114 | S1592 Y1596 | W1576-S1592 PolarHBondContact NE1-O 3.28Å; W1576-Y1596 AromaticContact CE2-CG 3.99Å; W1576-Y1596 AromaticContact CH2-CD1 3.41Å; W1576-Y1596 HydrophobicContact CH2-CD1 3.41Å; W1576-Y1596 VanDerWaalsContact CH2-CD1 3.41Å; W1576-Y1596 AromaticContact CH2-CE1 3.96Å; W1576-Y1596 HydrophobicContact CH2-CE1 3.96Å; W1576-Y1596 HydrophobicContact CH2-CG 4.03Å; W1576-Y1596 AromaticContact CZ2-CD1 3.51Å; W1576-Y1596 HydrophobicContact CZ2-CD1 3.51Å; W1576-Y1596 HydrophobicContact CZ2-CD2 4.47Å; W1576-Y1596 HydrophobicContact CZ2-CE1 4.33Å; W1576-Y1596 AromaticContact CZ2-CG 3.61Å; W1576-Y1596 HydrophobicContact CZ2-CG 3.61Å; W1576-Y1596 AromaticContact CZ3-CD1 3.98Å; W1576-Y1596 HydrophobicContact CZ3-CD1 3.98Å; W1576-Y1596 PolarHBondContact O-N 3.24Å; W1576-Y1596 VanDerWaalsContact O-N 3.08Å |
| 1577 | S | 72.2 | Confident | 68.3 | Low | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 75.1 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | H1594 | S1577-H1594 CarbonylContact C-O 3.44Å; S1577-H1594 WeakPolarHBondContact CA-O 3.1Å |
| 1578 | H | 74.9 | Confident | 69.4 | Low | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 171.1 | 177.3 | -64.3 | 152 | 0 | 0 | 0 | 112.7 | E1464 S1593 H1594 F1679 | E1464-H1578 IonicContact OE2-CE1 3.17Å; E1464-H1578 PolarHBondContact OE2-CE1 2.74Å; H1578-S1593 PolarHBondContact ND1-O 3.39Å; H1578-H1594 PolarHBondContact N-O 3.34Å; H1578-F1679 WeakPolarHBondContact O-CE2 2.96Å; H1578-F1679 VanDerWaalsContact O-CZ 3.27Å; H1578-F1679 WeakPolarHBondContact O-CZ 3.04Å |
| 1579 | M | 81.3 | Confident | 71.3 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 129.9 | -175.1 | -174.2 | 174.1 | 76 | 0 | 0 | 111.5 | L1581 R1680 S1682 | M1579-L1581 HydrophobicContact CE-CD2 3.89Å; M1579-R1680 WeakPolarHBondContact CA-O 3.43Å; M1579-R1680 HydrophobicContact CB-CB 4.2Å; M1579-R1680 HydrophobicContact CG-CB 3.85Å; M1579-R1680 HydrophobicContact SD-CB 4.4Å; M1579-S1682 WeakPolarHBondContact CE-OG 3.5Å; M1579-S1682 PolarHBondContact SD-OG 3.35Å |
| 1580 | L | 87.6 | Confident | 73.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.7 | 174.3 | -171.8 | 69.9 | 0 | 0 | 0 | 110.7 | V1582 T1588 H1594 Y1642 F1679 R1680 I1681 S1682 | L1580-V1582 HydrophobicContact CD2-CG2 3.81Å; L1580-V1582 HydrophobicContact CG-CG2 3.76Å; L1580-T1588 HydrophobicContact CD1-CG2 3.84Å; L1580-T1588 HydrophobicContact CG-CG2 4.29Å; L1580-H1594 WeakPolarHBondContact CD1-CE1 3.29Å; L1580-H1594 WeakPolarHBondContact CD1-ND1 3.46Å; L1580-Y1642 HydrophobicContact CD2-CD1 4.36Å; L1580-Y1642 HydrophobicContact CD2-CG 4.24Å; L1580-F1679 HydrophobicContact CB-CE1 3.68Å; L1580-F1679 HydrophobicContact CB-CZ 3.89Å; L1580-R1680 PolarHBondContact N-O 3.4Å; L1580-I1681 HydrophobicContact CB-CG1 4.33Å; L1580-I1681 HydrophobicContact CB-CG2 4.43Å; L1580-I1681 CarbonylContact O-C 3.52Å; L1580-I1681 WeakPolarHBondContact O-CA 3.14Å; L1580-S1682 PolarHBondContact O-N 3.12Å |
| 1581 | L | 84.6 | Confident | 75.5 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.5 | 171.5 | -61.7 | 176.1 | 0 | 0 | 0 | 109.6 | M1579 F1687 | M1579-L1581 HydrophobicContact CE-CD2 3.89Å; L1581-F1687 HydrophobicContact CB-CD2 4.49Å; L1581-F1687 HydrophobicContact CB-CE2 4Å; L1581-F1687 HydrophobicContact CB-CZ 4.37Å; L1581-F1687 HydrophobicContact CD1-CE2 4.35Å; L1581-F1687 HydrophobicContact CD1-CZ 3.96Å; L1581-F1687 HydrophobicContact CD2-CE2 4.16Å; L1581-F1687 HydrophobicContact CD2-CZ 4.45Å; L1581-F1687 HydrophobicContact CG-CE2 4.4Å; L1581-F1687 HydrophobicContact CG-CZ 4.5Å |
| 1582 | V | 84.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.7 | -169 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | L1580 S1586 Y1642 Q1644 I1681 S1682 I1683 C1684 | L1580-V1582 HydrophobicContact CD2-CG2 3.81Å; L1580-V1582 HydrophobicContact CG-CG2 3.76Å; V1582-S1586 WeakPolarHBondContact CG1-OG 3.32Å; V1582-Y1642 HydrophobicContact CB-CD1 4.43Å; V1582-Y1642 HydrophobicContact CB-CE1 4.37Å; V1582-Y1642 HydrophobicContact CG1-CD1 3.94Å; V1582-Y1642 HydrophobicContact CG1-CE1 3.85Å; V1582-Y1642 HydrophobicContact CG2-CD1 3.73Å; V1582-Y1642 HydrophobicContact CG2-CE1 4.03Å; V1582-Q1644 HydrophobicContact CG1-CB 4.06Å; V1582-Q1644 HydrophobicContact CG1-CG 4.16Å; V1582-I1681 HydrophobicContact CB-CG2 4.46Å; V1582-I1681 HydrophobicContact CG2-CG2 3.63Å; V1582-S1682 PolarHBondContact N-O 3.38Å; V1582-I1683 HydrophobicContact CB-CG1 4.32Å; V1582-I1683 CarbonylContact O-C 3.58Å; V1582-I1683 VanDerWaalsContact O-CA 3.28Å; V1582-I1683 WeakPolarHBondContact O-CA 3.36Å; V1582-C1684 PolarHBondContact O-N 2.9Å |
| 1583 | A | 81.5 | Confident | 78.2 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | trans | -91.8 | 147.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | G1585 S1586 F1687 | A1583-G1585 PolarHBondContact O-N 2.82Å; A1583-S1586 PolarHBondContact N-OG 2.59Å; A1583-S1586 VanDerWaalsContact N-OG 3.13Å; A1583-S1586 WeakPolarHBondContact O-CB 3.42Å; A1583-S1586 PolarHBondContact O-N 3.22Å; A1583-S1586 VanDerWaalsContact O-N 3.07Å; A1583-S1586 PolarHBondContact O-OG 3.34Å; A1583-F1687 HydrophobicContact CB-CB 3.96Å; A1583-F1687 VanDerWaalsContact CB-O 3.3Å; A1583-F1687 WeakPolarHBondContact CB-O 3.48Å | ||
| 1584 | P | 84.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 135.4 | 171.9 | -26.5 | 34.1 | 0 | 0 | 0 | 112.2 | S1586 I1683 C1684 F1685 | P1584-S1586 PolarHBondContact O-N 3.42Å; P1584-S1586 VanDerWaalsContact O-N 3.16Å; P1584-I1683 HydrophobicContact CG-CG2 4.09Å; P1584-C1684 WeakPolarHBondContact CD-O 3.06Å; P1584-F1685 HydrophobicContact CB-CZ 4.42Å; P1584-F1685 HydrophobicContact CG-CD1 4.11Å; P1584-F1685 HydrophobicContact CG-CD2 3.8Å; P1584-F1685 HydrophobicContact CG-CE1 4.1Å; P1584-F1685 HydrophobicContact CG-CE2 3.8Å; P1584-F1685 HydrophobicContact CG-CG 3.97Å; P1584-F1685 HydrophobicContact CG-CZ 3.95Å |
| 1585 | G | 82.7 | Confident | 80.5 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | 2.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A1583 | A1583-G1585 PolarHBondContact O-N 2.82Š|
| 1586 | S | 83.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | trans | -91 | 156 | -175.7 | 73.6 | 0 | 0 | 0 | 0 | 114.6 | V1582 A1583 P1584 Q1644 | V1582-S1586 WeakPolarHBondContact CG1-OG 3.32Å; A1583-S1586 PolarHBondContact N-OG 2.59Å; A1583-S1586 VanDerWaalsContact N-OG 3.13Å; A1583-S1586 WeakPolarHBondContact O-CB 3.42Å; A1583-S1586 PolarHBondContact O-N 3.22Å; A1583-S1586 VanDerWaalsContact O-N 3.07Å; A1583-S1586 PolarHBondContact O-OG 3.34Å; P1584-S1586 PolarHBondContact O-N 3.42Å; P1584-S1586 VanDerWaalsContact O-N 3.16Å; S1586-Q1644 VanDerWaalsContact O-CB 3.31Å; S1586-Q1644 WeakPolarHBondContact O-CB 3.42Å; S1586-Q1644 PolarHBondContact O-N 2.83Å | ||
| 1587 | I | 88.2 | Confident | 82.1 | Confident | 102 Ų | 102 | 40.8 Ų | 40.8 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.3 | 167.5 | -56.8 | 176.5 | 0 | 0 | 0 | 107.6 | Y1642 N1643 | I1587-Y1642 CarbonylContact C-O 3.53Å; I1587-Y1642 WeakPolarHBondContact CA-O 3.49Å; I1587-N1643 HydrophobicContact CG1-CB 4.07Å; I1587-N1643 WeakPolarHBondContact CG1-OD1 3.42Å |
| 1588 | T | 87.4 | Confident | 81.8 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.8 | -176.1 | -45.5 | 0 | 0 | 0 | 0 | 110.6 | L1580 S1641 Y1642 | L1580-T1588 HydrophobicContact CD1-CG2 3.84Å; L1580-T1588 HydrophobicContact CG-CG2 4.29Å; T1588-S1641 CarbonylContact O-C 3.59Å; T1588-S1641 WeakPolarHBondContact O-CA 3.38Å; T1588-S1641 WeakPolarHBondContact O-CB 3.33Å; T1588-Y1642 PolarHBondContact N-O 3.08Å; T1588-Y1642 PolarHBondContact O-N 3.01Å |
| 1589 | P | 88.5 | Confident | 81.3 | Confident | 67 Ų | 67 | 38 Ų | 38 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 144.5 | -179.6 | 28.9 | -34.6 | 0 | 0 | 0 | 112.8 | I1591 | P1589-I1591 HydrophobicContact CB-CG2 4.49Å |
| 1590 | L | 87.7 | Confident | 80.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -99.2 | 109.7 | 171.2 | -171.1 | 77.2 | 0 | 0 | 0 | 108 | H1594 L1595 F1630 I1635 V1640 F1657 F1679 | L1590-H1594 HydrophobicContact CD1-CB 3.58Å; L1590-H1594 HydrophobicContact CG-CB 4.38Å; L1590-L1595 HydrophobicContact CD2-CB 4.43Å; L1590-L1595 HydrophobicContact CD2-CD2 4.18Å; L1590-F1630 HydrophobicContact CD2-CE2 4.46Å; L1590-F1630 HydrophobicContact CD2-CZ 4.31Å; L1590-I1635 HydrophobicContact CD2-CD1 4.49Å; L1590-V1640 HydrophobicContact CB-CB 4.08Å; L1590-V1640 HydrophobicContact CB-CG1 3.9Å; L1590-V1640 HydrophobicContact CD2-CB 4.42Å; L1590-V1640 HydrophobicContact CD2-CG1 3.77Å; L1590-V1640 HydrophobicContact CG-CG1 4.46Å; L1590-V1640 PolarHBondContact N-O 3.2Å; L1590-F1657 HydrophobicContact CD2-CZ 4.26Å; L1590-F1679 HydrophobicContact CD1-CE1 3.74Å; L1590-F1679 HydrophobicContact CD1-CE2 3.79Å; L1590-F1679 HydrophobicContact CD1-CZ 3.33Å | ||
| 1591 | I | 84.2 | Confident | 78.9 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -113.9 | 169.6 | -177.6 | 53.8 | 165.5 | 0 | 0 | 0 | 110.7 | P1589 S1593 H1594 L1595 | P1589-I1591 HydrophobicContact CB-CG2 4.49Å; I1591-S1593 VanDerWaalsContact CD1-OG 3.3Å; I1591-S1593 WeakPolarHBondContact CD1-OG 3.36Å; I1591-S1593 WeakPolarHBondContact CG1-OG 3.4Å; I1591-S1593 PolarHBondContact O-N 2.92Å; I1591-H1594 WeakPolarHBondContact O-CA 3.28Å; I1591-H1594 VanDerWaalsContact O-CB 3.3Å; I1591-H1594 WeakPolarHBondContact O-CB 3.43Å; I1591-H1594 PolarHBondContact O-N 2.98Å; I1591-L1595 PolarHBondContact O-N 2.99Å | ||
| 1592 | S | 79.7 | Confident | 78.2 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.3 | -169.7 | -30.6 | 0 | 0 | 0 | 0 | 114.5 | W1576 H1594 D1636 | W1576-S1592 PolarHBondContact NE1-O 3.28Å; S1592-H1594 VanDerWaalsContact C-N 3.28Å; S1592-D1636 WeakPolarHBondContact CB-OD1 3.45Å; S1592-D1636 WeakPolarHBondContact OG-CA 3.48Å; S1592-D1636 PolarHBondContact OG-OD1 3.02Å |
| 1593 | S | 70.2 | Confident | 77.5 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.8 | 169.5 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | H1578 I1591 | H1578-S1593 PolarHBondContact ND1-O 3.39Å; I1591-S1593 VanDerWaalsContact CD1-OG 3.3Å; I1591-S1593 WeakPolarHBondContact CD1-OG 3.36Å; I1591-S1593 WeakPolarHBondContact CG1-OG 3.4Å; I1591-S1593 PolarHBondContact O-N 2.92Å |
| 1594 | H | 82 | Confident | 77.4 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 19% | 0.185 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -49.7 | 174.6 | -58.9 | 149.8 | 0 | 0 | 0 | 111.2 | S1577 H1578 L1580 L1590 I1591 S1592 F1679 | S1577-H1594 CarbonylContact C-O 3.44Å; S1577-H1594 WeakPolarHBondContact CA-O 3.1Å; H1578-H1594 PolarHBondContact N-O 3.34Å; L1580-H1594 WeakPolarHBondContact CD1-CE1 3.29Å; L1580-H1594 WeakPolarHBondContact CD1-ND1 3.46Å; L1590-H1594 HydrophobicContact CD1-CB 3.58Å; L1590-H1594 HydrophobicContact CG-CB 4.38Å; I1591-H1594 WeakPolarHBondContact O-CA 3.28Å; I1591-H1594 VanDerWaalsContact O-CB 3.3Å; I1591-H1594 WeakPolarHBondContact O-CB 3.43Å; I1591-H1594 PolarHBondContact O-N 2.98Å; S1592-H1594 VanDerWaalsContact C-N 3.28Å; H1594-F1679 HydrophobicContact CB-CE2 4.12Å; H1594-F1679 HydrophobicContact CB-CZ 4.01Å |
| 1595 | L | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 123.6 | -175.3 | 179.7 | 58.5 | 0 | 0 | 0 | 111.1 | I1574 L1590 I1591 Y1609 F1630 Q1632 I1635 F1657 Y1659 F1679 | I1574-L1595 HydrophobicContact CG2-CD1 4.44Å; L1590-L1595 HydrophobicContact CD2-CB 4.43Å; L1590-L1595 HydrophobicContact CD2-CD2 4.18Å; I1591-L1595 PolarHBondContact O-N 2.99Å; L1595-Y1609 HydrophobicContact CD1-CE1 3.95Å; L1595-Y1609 HydrophobicContact CD2-CD1 4.04Å; L1595-Y1609 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1609 HydrophobicContact CG-CE1 3.77Å; L1595-F1630 HydrophobicContact CD2-CE2 4.2Å; L1595-F1630 HydrophobicContact CD2-CZ 4.34Å; L1595-Q1632 PolarHBondContact O-NE2 2.8Å; L1595-I1635 HydrophobicContact CB-CD1 4.21Å; L1595-I1635 HydrophobicContact CD2-CD1 4.12Å; L1595-I1635 HydrophobicContact CG-CD1 4.1Å; L1595-F1657 HydrophobicContact CD2-CZ 4.32Å; L1595-Y1659 HydrophobicContact CD1-CE1 4.46Å; L1595-Y1659 HydrophobicContact CD1-CE2 4.49Å; L1595-Y1659 WeakPolarHBondContact CD1-OH 3.26Å; L1595-F1679 HydrophobicContact CB-CD2 4.17Å; L1595-F1679 HydrophobicContact CB-CE2 4.05Å; L1595-F1679 HydrophobicContact CD1-CD2 4.41Å; L1595-F1679 HydrophobicContact CD2-CD2 4.27Å |
| 1596 | Y | 81.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 130 | -178.9 | -165.3 | -116.2 | 0 | 0 | 0 | 113 | E1575 W1576 Q1632 | E1575-Y1596 HydrophobicContact CB-CD1 4.16Å; E1575-Y1596 HydrophobicContact CG-CD1 4.37Å; E1575-Y1596 PolarHBondContact N-O 3.12Å; E1575-Y1596 VanDerWaalsContact OE2-CD1 3.31Å; E1575-Y1596 WeakPolarHBondContact OE2-CD1 3.46Å; E1575-Y1596 VanDerWaalsContact OE2-CE1 3.29Å; E1575-Y1596 WeakPolarHBondContact OE2-CE1 3.27Å; W1576-Y1596 AromaticContact CE2-CG 3.99Å; W1576-Y1596 AromaticContact CH2-CD1 3.41Å; W1576-Y1596 HydrophobicContact CH2-CD1 3.41Å; W1576-Y1596 VanDerWaalsContact CH2-CD1 3.41Å; W1576-Y1596 AromaticContact CH2-CE1 3.96Å; W1576-Y1596 HydrophobicContact CH2-CE1 3.96Å; W1576-Y1596 HydrophobicContact CH2-CG 4.03Å; W1576-Y1596 AromaticContact CZ2-CD1 3.51Å; W1576-Y1596 HydrophobicContact CZ2-CD1 3.51Å; W1576-Y1596 HydrophobicContact CZ2-CD2 4.47Å; W1576-Y1596 HydrophobicContact CZ2-CE1 4.33Å; W1576-Y1596 AromaticContact CZ2-CG 3.61Å; W1576-Y1596 HydrophobicContact CZ2-CG 3.61Å; W1576-Y1596 AromaticContact CZ3-CD1 3.98Å; W1576-Y1596 HydrophobicContact CZ3-CD1 3.98Å; W1576-Y1596 PolarHBondContact O-N 3.24Å; W1576-Y1596 VanDerWaalsContact O-N 3.08Å; Y1596-Q1632 HydrophobicContact CD2-CG 4.21Å; Y1596-Q1632 HydrophobicContact CE2-CG 4.14Å |
| 1597 | T | 75 | Confident | 77.2 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.3 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 108.3 | A1573 I1574 C1607 Y1609 V1661 | A1573-T1597 WeakPolarHBondContact O-CA 3.39Å; A1573-T1597 VanDerWaalsContact O-CG2 3.24Å; A1573-T1597 WeakPolarHBondContact O-CG2 3.43Å; I1574-T1597 WeakPolarHBondContact CG1-OG1 3.1Å; T1597-C1607 HydrophobicContact CG2-CB 4.18Å; T1597-Y1609 VanDerWaalsContact CB-OH 3.22Å; T1597-Y1609 WeakPolarHBondContact CB-OH 3.06Å; T1597-Y1609 PolarHBondContact N-OH 3.15Å; T1597-Y1609 VanDerWaalsContact N-OH 3.08Å; T1597-Y1609 VanDerWaalsContact OG1-CE1 3.32Å; T1597-Y1609 WeakPolarHBondContact OG1-CE1 3.2Å; T1597-Y1609 PolarHBondContact OG1-OH 2.82Å; T1597-V1661 HydrophobicContact CG2-CG1 3.73Å; T1597-V1661 HydrophobicContact CG2-CG2 4.42Å |
| 1598 | S | 66.1 | Low | 77.1 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | trans | -117 | 128.5 | 177.8 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | A1573 E1575 | A1573-S1598 PolarHBondContact O-N 2.9Å; E1575-S1598 VanDerWaalsContact CD-CB 3.41Å; E1575-S1598 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 1599 | L | 65.5 | Low | 77.2 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -130.5 | 116.6 | 174.4 | -73.3 | 173.3 | 0 | 0 | 0 | 107.6 | A1573 G1601 I1602 L1663 F1673 | A1573-L1599 HydrophobicContact CB-CD2 3.75Å; A1573-L1599 HydrophobicContact CB-CG 4.35Å; L1599-G1601 PolarHBondContact O-N 2.82Å; L1599-I1602 HydrophobicContact CB-CB 3.99Å; L1599-I1602 HydrophobicContact CB-CD1 4.02Å; L1599-I1602 HydrophobicContact CB-CG1 4.21Å; L1599-I1602 HydrophobicContact CD1-CD1 4.34Å; L1599-I1602 WeakPolarHBondContact O-CB 3.4Å; L1599-I1602 PolarHBondContact O-N 2.78Å; L1599-L1663 HydrophobicContact CD1-CD2 3.8Å; L1599-F1673 HydrophobicContact CD1-CD2 4.12Å; L1599-F1673 HydrophobicContact CD1-CE2 3.72Å; L1599-F1673 HydrophobicContact CD2-CD2 4.5Å; L1599-F1673 HydrophobicContact CD2-CE2 3.59Å; L1599-F1673 HydrophobicContact CD2-CZ 3.78Å; L1599-F1673 HydrophobicContact CG-CE2 4.33Å | ||
| 1600 | T | 56.7 | Low | 77.2 | Confident | 140 Ų | 140 | 42.1 Ų | 42.1 | 86% | 0.859 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 120.3 | -172.9 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1601 | G | 61.2 | Low | 77.3 | Confident | 83 Ų | 83 | 43 Ų | 43 | 86% | 0.856 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -4.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1599 | L1599-G1601 PolarHBondContact O-N 2.82Š|
| 1602 | I | 70.2 | Confident | 77.5 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | trans | -105.5 | 119.4 | -177.6 | -57 | -171.6 | 0 | 0 | 0 | 110.2 | L1599 N1606 L1663 M1670 | L1599-I1602 HydrophobicContact CB-CB 3.99Å; L1599-I1602 HydrophobicContact CB-CD1 4.02Å; L1599-I1602 HydrophobicContact CB-CG1 4.21Å; L1599-I1602 HydrophobicContact CD1-CD1 4.34Å; L1599-I1602 WeakPolarHBondContact O-CB 3.4Å; L1599-I1602 PolarHBondContact O-N 2.78Å; I1602-N1606 HydrophobicContact CG2-CB 3.7Å; I1602-L1663 HydrophobicContact CD1-CD1 3.79Å; I1602-L1663 HydrophobicContact CD1-CD2 3.65Å; I1602-L1663 HydrophobicContact CD1-CG 4.4Å; I1602-L1663 HydrophobicContact CG2-CD2 3.92Å; I1602-M1670 HydrophobicContact CD1-SD 4.38Å | ||
| 1603 | A | 69.6 | Low | 77.9 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | trans | -64 | 142.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1605 N1606 | A1603-R1605 HydrophobicContact CB-CG 4.27Å; A1603-R1605 PolarHBondContact O-N 2.87Å; A1603-N1606 WeakPolarHBondContact O-CB 3.25Å; A1603-N1606 PolarHBondContact O-N 3.41Å | ||
| 1604 | P | 79.5 | Confident | 78.8 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -51.8 | -31.6 | -175.2 | -32.1 | 36.7 | 0 | 0 | 0 | 116 | N1606 C1607 Q1632 L1633 | P1604-N1606 PolarHBondContact O-N 2.98Å; P1604-C1607 PolarHBondContact O-N 3.15Å; P1604-Q1632 HydrophobicContact CB-CB 3.98Å; P1604-Q1632 HydrophobicContact CB-CG 4.07Å; P1604-Q1632 WeakPolarHBondContact O-CB 3.29Å; P1604-Q1632 PolarHBondContact O-N 3.34Å; P1604-L1633 HydrophobicContact CB-CB 4.23Å; P1604-L1633 PolarHBondContact O-N 3.08Å |
| 1605 | R | 82.8 | Confident | 79.2 | Confident | 159 Ų | 159 | 42.4 Ų | 42.4 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -61.1 | -20.8 | 174.5 | 68.9 | 178.2 | -174.3 | -98.1 | 1.1 | 114.6 | A1603 L1633 | A1603-R1605 HydrophobicContact CB-CG 4.27Å; A1603-R1605 PolarHBondContact O-N 2.87Å; R1605-L1633 HydrophobicContact CB-CB 4.31Å; R1605-L1633 HydrophobicContact CB-CD2 3.89Å |
| 1606 | N | 82.2 | Confident | 79.6 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -96.1 | -16 | -177.8 | -63.5 | -31.8 | 0 | 0 | 0 | 112.9 | I1602 A1603 P1604 V1608 L1663 S1664 Y1667 | I1602-N1606 HydrophobicContact CG2-CB 3.7Å; A1603-N1606 WeakPolarHBondContact O-CB 3.25Å; A1603-N1606 PolarHBondContact O-N 3.41Å; P1604-N1606 PolarHBondContact O-N 2.98Å; N1606-V1608 PolarHBondContact O-N 3.3Å; N1606-L1663 WeakPolarHBondContact O-CA 3.06Å; N1606-S1664 VanDerWaalsContact CG-OG 3.31Å; N1606-S1664 PolarHBondContact O-N 3.13Å; N1606-S1664 VanDerWaalsContact O-N 3.15Å; N1606-S1664 PolarHBondContact OD1-OG 3.35Å; N1606-Y1667 WeakPolarHBondContact ND2-CE2 3.44Å |
| 1607 | C | 81.1 | Confident | 80 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 94.2 | 172.5 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | T1597 P1604 S1631 Q1632 | T1597-C1607 HydrophobicContact CG2-CB 4.18Å; P1604-C1607 PolarHBondContact O-N 3.15Å; C1607-S1631 CarbonylContact O-C 3.54Å; C1607-S1631 VanDerWaalsContact O-CA 3.27Å; C1607-S1631 WeakPolarHBondContact O-CA 3.5Å; C1607-Q1632 HydrophobicContact CB-CB 4.08Å; C1607-Q1632 PolarHBondContact O-N 3.12Å |
| 1608 | V | 85.5 | Confident | 80.6 | Confident | 28 Ų | 28 | 46 Ų | 46 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115 | -174.5 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | N1606 M1629 S1662 | N1606-V1608 PolarHBondContact O-N 3.3Å; V1608-M1629 HydrophobicContact CG1-CB 4.23Å; V1608-S1662 PolarHBondContact N-O 3.49Å; V1608-S1662 PolarHBondContact O-N 2.84Å; V1608-S1662 PolarHBondContact O-OG 2.86Å; V1608-S1662 VanDerWaalsContact O-OG 3.07Å |
| 1609 | Y | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.2 | 168.4 | -60.6 | -92.4 | 0 | 0 | 0 | 109.1 | L1595 T1597 M1629 F1630 Q1632 I1635 Y1659 I1660 V1661 | L1595-Y1609 HydrophobicContact CD1-CE1 3.95Å; L1595-Y1609 HydrophobicContact CD2-CD1 4.04Å; L1595-Y1609 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1609 HydrophobicContact CG-CE1 3.77Å; T1597-Y1609 VanDerWaalsContact CB-OH 3.22Å; T1597-Y1609 WeakPolarHBondContact CB-OH 3.06Å; T1597-Y1609 PolarHBondContact N-OH 3.15Å; T1597-Y1609 VanDerWaalsContact N-OH 3.08Å; T1597-Y1609 VanDerWaalsContact OG1-CE1 3.32Å; T1597-Y1609 WeakPolarHBondContact OG1-CE1 3.2Å; T1597-Y1609 PolarHBondContact OG1-OH 2.82Å; Y1609-M1629 CarbonylContact O-C 3.49Å; Y1609-M1629 WeakPolarHBondContact O-CA 3.48Å; Y1609-M1629 WeakPolarHBondContact O-CB 3.43Å; Y1609-F1630 WeakPolarHBondContact CB-O 3.01Å; Y1609-F1630 HydrophobicContact CD1-CE2 4.15Å; Y1609-F1630 AromaticContact CD2-CD2 3.56Å; Y1609-F1630 HydrophobicContact CD2-CD2 3.56Å; Y1609-F1630 AromaticContact CD2-CE2 3.43Å; Y1609-F1630 HydrophobicContact CD2-CE2 3.43Å; Y1609-F1630 VanDerWaalsContact CD2-CE2 3.43Å; Y1609-F1630 HydrophobicContact CE2-CD2 4.42Å; Y1609-F1630 HydrophobicContact CE2-CE2 4.17Å; Y1609-F1630 AromaticContact CG-CD2 3.88Å; Y1609-F1630 HydrophobicContact CG-CD2 3.88Å; Y1609-F1630 AromaticContact CG-CE2 3.4Å; Y1609-F1630 HydrophobicContact CG-CE2 3.4Å; Y1609-F1630 HydrophobicContact CG-CZ 4.14Å; Y1609-F1630 PolarHBondContact N-O 3.1Å; Y1609-F1630 PolarHBondContact O-N 3.33Å; Y1609-Q1632 HydrophobicContact CE2-CB 4.21Å; Y1609-Q1632 PolarHBondContact OH-OE1 3.48Å; Y1609-I1635 HydrophobicContact CD2-CD1 4.06Å; Y1609-I1635 HydrophobicContact CE2-CD1 3.46Å; Y1609-I1635 VanDerWaalsContact CE2-CD1 3.46Å; Y1609-Y1659 AromaticContact CD1-CD2 3.64Å; Y1609-Y1659 HydrophobicContact CD1-CD2 3.64Å; Y1609-Y1659 AromaticContact CD1-CE2 3.8Å; Y1609-Y1659 HydrophobicContact CD1-CE2 3.8Å; Y1609-Y1659 HydrophobicContact CD1-CG 4.39Å; Y1609-Y1659 HydrophobicContact CE1-CD2 4.24Å; Y1609-Y1659 AromaticContact CE1-CE2 3.92Å; Y1609-Y1659 HydrophobicContact CE1-CE2 3.92Å; Y1609-I1660 WeakPolarHBondContact CA-O 3.2Å; Y1609-V1661 HydrophobicContact CD1-CG2 3.97Å; Y1609-V1661 HydrophobicContact CE1-CG2 4.04Å |
| 1610 | S | 88.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.7 | 170.4 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | Y1659 I1660 | S1610-Y1659 CarbonylContact O-C 3.37Å; S1610-Y1659 WeakPolarHBondContact O-CA 3.46Å; S1610-I1660 PolarHBondContact N-O 3.33Å; S1610-I1660 PolarHBondContact O-N 3.1Å |
| 1611 | I | 90.4 | Very high | 84.8 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.6 | -177.3 | -53.3 | 175.1 | 0 | 0 | 0 | 109.1 | D1613 I1620 T1627 T1628 F1630 F1657 S1658 | I1611-D1613 VanDerWaalsContact CG2-O 3.22Å; I1611-D1613 WeakPolarHBondContact CG2-O 3.37Å; I1611-I1620 HydrophobicContact CD1-CB 3.8Å; I1611-I1620 HydrophobicContact CD1-CG1 4.11Å; I1611-I1620 HydrophobicContact CD1-CG2 4.01Å; I1611-T1627 HydrophobicContact CD1-CG2 4.35Å; I1611-T1628 PolarHBondContact N-O 2.93Å; I1611-F1630 HydrophobicContact CD1-CD1 4.22Å; I1611-F1630 HydrophobicContact CD1-CE1 3.79Å; I1611-F1630 HydrophobicContact CG1-CD1 4.47Å; I1611-F1630 HydrophobicContact CG1-CE1 3.9Å; I1611-F1657 HydrophobicContact CG2-CD2 4.44Å; I1611-S1658 CarbonylContact C-O 3.39Å; I1611-S1658 WeakPolarHBondContact CA-O 3.49Å |
| 1612 | I | 87.7 | Confident | 86.2 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -50.5 | 175.8 | -67.6 | 176.2 | 0 | 0 | 0 | 110.4 | S1658 I1660 R1676 | I1612-S1658 PolarHBondContact N-O 2.88Å; I1612-I1660 HydrophobicContact CD1-CB 4.37Å; I1612-I1660 HydrophobicContact CD1-CD1 4.5Å; I1612-I1660 HydrophobicContact CD1-CG1 4.15Å; I1612-I1660 HydrophobicContact CD1-CG2 3.58Å; I1612-I1660 HydrophobicContact CG1-CG1 4.39Å; I1612-R1676 HydrophobicContact CD1-CB 4.11Å; I1612-R1676 HydrophobicContact CD1-CG 3.97Å |
| 1613 | D | 87.9 | Confident | 86.7 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.3 | 176.1 | -50.6 | -52.3 | 0 | 0 | 0 | 108 | I1611 F1657 S1658 R1676 | I1611-D1613 VanDerWaalsContact CG2-O 3.22Å; I1611-D1613 WeakPolarHBondContact CG2-O 3.37Å; D1613-F1657 WeakPolarHBondContact O-CA 3.13Å; D1613-F1657 VanDerWaalsContact O-CB 3.28Å; D1613-F1657 WeakPolarHBondContact O-CB 3.38Å; D1613-S1658 PolarHBondContact N-O 3.22Å; D1613-S1658 PolarHBondContact O-N 3.49Å; D1613-S1658 WeakPolarHBondContact OD2-CB 3.35Å; D1613-S1658 PolarHBondContact OD2-OG 3.38Å; D1613-R1676 IonicContact OD1-CZ 2.7Å; D1613-R1676 IonicContact OD1-NH2 3.4Å; D1613-R1676 PolarHBondContact OD1-NH2 3.42Å; D1613-R1676 IonicContact OD2-CZ 3.68Å; D1613-R1676 IonicContact OD2-NE 3.84Å; D1613-R1676 PolarHBondContact OD2-NE 3.2Å; D1613-R1676 IonicContact OD2-NH2 3.89Å; D1613-R1676 PolarHBondContact OD2-NH2 3.25Å |
| 1614 | Q | 89.4 | Confident | 87 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | trans | -68 | 159.1 | 166 | -73.2 | -78.1 | -43.4 | 0 | 0 | 110.2 | T1627 | Q1614-T1627 PolarHBondContact NE2-O 2.8Š| ||
| 1615 | P | 91.7 | Very high | 87.3 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | trans | -59.9 | 152.6 | 172.2 | -8.7 | 19.9 | 0 | 0 | 0 | 112.3 | G1618 I1620 Y1642 D1655 F1656 F1657 | P1615-G1618 CarbonylContact C-O 3.09Å; P1615-G1618 WeakPolarHBondContact CB-O 3.24Å; P1615-G1618 WeakPolarHBondContact CG-O 3.49Å; P1615-G1618 VanDerWaalsContact O-O 3.06Å; P1615-I1620 HydrophobicContact CG-CD1 4.11Å; P1615-I1620 HydrophobicContact CG-CG1 4.03Å; P1615-Y1642 HydrophobicContact CB-CD2 4.3Å; P1615-Y1642 HydrophobicContact CB-CE2 3.63Å; P1615-Y1642 HydrophobicContact CG-CD2 3.86Å; P1615-Y1642 HydrophobicContact CG-CE2 3.7Å; P1615-D1655 WeakPolarHBondContact CB-OD2 3.41Å; P1615-F1656 WeakPolarHBondContact CA-O 3.31Å; P1615-F1657 HydrophobicContact CG-CB 4.06Å | ||
| 1616 | A | 89.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 53 Ų | 53 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81 | -31.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1655 | A1616-D1655 PolarHBondContact N-OD1 2.9Å; A1616-D1655 PolarHBondContact N-OD2 3.01Å |
| 1617 | Y | 90.7 | Very high | 87.9 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -106.3 | 4.3 | -177.2 | -67 | -90.6 | 0 | 0 | 0 | 113.3 | Y1642 Q1644 S1645 Q1646 V1648 Q1653 D1655 I1683 | Y1617-Y1642 VanDerWaalsContact C-OH 3.23Å; Y1617-Y1642 PolarHBondContact O-OH 3.26Å; Y1617-Q1644 PolarHBondContact O-NE2 2.92Å; Y1617-S1645 PolarHBondContact O-N 2.87Å; Y1617-Q1646 HydrophobicContact CD1-CB 4.24Å; Y1617-Q1646 PolarHBondContact O-N 3.08Å; Y1617-Q1646 VanDerWaalsContact O-N 3.1Å; Y1617-V1648 HydrophobicContact CD1-CG2 3.68Å; Y1617-V1648 HydrophobicContact CE1-CG2 4.28Å; Y1617-V1648 HydrophobicContact CG-CG2 4.35Å; Y1617-Q1653 HydrophobicContact CD1-CG 4.26Å; Y1617-Q1653 HydrophobicContact CD2-CG 4.2Å; Y1617-Q1653 HydrophobicContact CE1-CG 3.96Å; Y1617-Q1653 HydrophobicContact CE2-CG 3.9Å; Y1617-Q1653 VanDerWaalsContact CE2-NE2 3.3Å; Y1617-Q1653 HydrophobicContact CG-CG 4.37Å; Y1617-Q1653 PolarHBondContact OH-NE2 2.85Å; Y1617-D1655 WeakPolarHBondContact CA-OD2 3.41Å; Y1617-D1655 WeakPolarHBondContact CB-OD2 3.21Å; Y1617-D1655 HydrophobicContact CD2-CB 3.97Å; Y1617-D1655 PolarHBondContact N-OD2 3.42Å; Y1617-I1683 HydrophobicContact CG-CD1 4.22Å |
| 1618 | G | 87.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -171.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1615 Y1642 N1643 | P1615-G1618 CarbonylContact C-O 3.09Å; P1615-G1618 WeakPolarHBondContact CB-O 3.24Å; P1615-G1618 WeakPolarHBondContact CG-O 3.49Å; P1615-G1618 VanDerWaalsContact O-O 3.06Å; G1618-Y1642 PolarHBondContact N-OH 2.83Å; G1618-N1643 CarbonylContact C-O 3.12Å; G1618-N1643 WeakPolarHBondContact CA-O 3.22Å |
| 1619 | H | 91.3 | Very high | 88.5 | Confident | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.4 | -177 | -67.2 | -11.1 | 0 | 0 | 0 | 111.3 | K1626 N1643 | H1619-K1626 HydrophobicContact CB-CD 4.21Å; H1619-K1626 HydrophobicContact CB-CG 4.28Å; H1619-K1626 PolarHBondContact CD2-NZ 2.77Å; H1619-K1626 VanDerWaalsContact CD2-NZ 3.31Å; H1619-K1626 PolarHBondContact CE1-NZ 2.96Å; H1619-K1626 PolarHBondContact ND1-NZ 2.87Å; H1619-K1626 PolarHBondContact NE2-NZ 3.24Å; H1619-N1643 PolarHBondContact N-O 3.26Å; H1619-N1643 PolarHBondContact O-N 2.83Å |
| 1620 | I | 93.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.5 | 171.1 | -55.1 | -60.7 | 0 | 0 | 0 | 109.3 | I1611 P1615 K1626 T1627 F1630 V1640 S1641 Y1642 F1657 | I1611-I1620 HydrophobicContact CD1-CB 3.8Å; I1611-I1620 HydrophobicContact CD1-CG1 4.11Å; I1611-I1620 HydrophobicContact CD1-CG2 4.01Å; P1615-I1620 HydrophobicContact CG-CD1 4.11Å; P1615-I1620 HydrophobicContact CG-CG1 4.03Å; I1620-K1626 WeakPolarHBondContact O-CA 3.33Å; I1620-T1627 HydrophobicContact CG2-CG2 4.19Å; I1620-T1627 PolarHBondContact O-N 2.92Å; I1620-F1630 HydrophobicContact CG2-CD1 4.22Å; I1620-F1630 HydrophobicContact CG2-CE1 3.98Å; I1620-V1640 HydrophobicContact CG2-CG1 3.66Å; I1620-S1641 CarbonylContact C-O 3.52Å; I1620-S1641 WeakPolarHBondContact CA-O 3.16Å; I1620-Y1642 HydrophobicContact CD1-CD2 3.99Å; I1620-F1657 HydrophobicContact CD1-CD1 3.59Å; I1620-F1657 HydrophobicContact CD1-CE1 3.64Å; I1620-F1657 HydrophobicContact CD1-CG 4.43Å; I1620-F1657 HydrophobicContact CG1-CD1 3.85Å; I1620-F1657 HydrophobicContact CG1-CE1 4.1Å; I1620-F1657 HydrophobicContact CG1-CG 4.2Å |
| 1621 | L | 91.4 | Very high | 88.7 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 143.8 | 176.2 | -51.6 | -176.5 | 0 | 0 | 0 | 110.3 | R1625 K1626 V1640 S1641 N1643 | L1621-R1625 CarbonylContact C-O 3.59Å; L1621-R1625 VanDerWaalsContact CA-O 3.25Å; L1621-R1625 WeakPolarHBondContact CA-O 3.43Å; L1621-K1626 HydrophobicContact CD2-CB 4.24Å; L1621-V1640 CarbonylContact O-C 3.56Å; L1621-V1640 WeakPolarHBondContact O-CA 3.25Å; L1621-S1641 PolarHBondContact N-O 2.95Å; L1621-S1641 PolarHBondContact O-N 3.1Å; L1621-N1643 HydrophobicContact CD1-CB 3.79Å; L1621-N1643 HydrophobicContact CG-CB 4Å |
| 1622 | L | 90.5 | Very high | 88.6 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 112.8 | 159.1 | -175.4 | 63.1 | 0 | 0 | 0 | 107.8 | K1624 R1625 T1627 D1634 F1639 V1640 | L1622-K1624 VanDerWaalsContact C-N 3.35Å; L1622-K1624 PolarHBondContact O-N 3.37Å; L1622-R1625 PolarHBondContact N-O 3.33Å; L1622-R1625 PolarHBondContact O-N 3.24Å; L1622-T1627 HydrophobicContact CB-CG2 4.02Å; L1622-D1634 HydrophobicContact CD1-CB 3.69Å; L1622-F1639 HydrophobicContact CD1-CB 3.8Å; L1622-V1640 HydrophobicContact CD1-CG2 4.17Å |
| 1623 | G | 81.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 59 Ų | 59 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -86.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1639 | G1623-F1639 PolarHBondContact N-O 2.76Š|
| 1624 | K | 75.6 | Confident | 88.8 | Confident | 200 Ų | 200 | 58.3 Ų | 58.3 | 87% | 0.87 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | 5.4 | 177 | -64.6 | -173.3 | 179.1 | -178.7 | 0 | 113.9 | L1622 | L1622-K1624 VanDerWaalsContact C-N 3.35Å; L1622-K1624 PolarHBondContact O-N 3.37Å |
| 1625 | R | 86.3 | Confident | 88.7 | Confident | 208 Ų | 208 | 55.9 Ų | 55.9 | 79% | 0.785 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.2 | -177 | -68 | -177.7 | 175.6 | -177.3 | -1.2 | 110.4 | L1621 L1622 T1627 | L1621-R1625 CarbonylContact C-O 3.59Å; L1621-R1625 VanDerWaalsContact CA-O 3.25Å; L1621-R1625 WeakPolarHBondContact CA-O 3.43Å; L1622-R1625 PolarHBondContact N-O 3.33Å; L1622-R1625 PolarHBondContact O-N 3.24Å; R1625-T1627 PolarHBondContact O-N 3.23Å |
| 1626 | K | 87.7 | Confident | 88.3 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 127.9 | 170.6 | -176.3 | 175.8 | -173.5 | 171 | 0 | 109.1 | H1619 I1620 L1621 | H1619-K1626 HydrophobicContact CB-CD 4.21Å; H1619-K1626 HydrophobicContact CB-CG 4.28Å; H1619-K1626 PolarHBondContact CD2-NZ 2.77Å; H1619-K1626 VanDerWaalsContact CD2-NZ 3.31Å; H1619-K1626 PolarHBondContact CE1-NZ 2.96Å; H1619-K1626 PolarHBondContact ND1-NZ 2.87Å; H1619-K1626 PolarHBondContact NE2-NZ 3.24Å; I1620-K1626 WeakPolarHBondContact O-CA 3.33Å; L1621-K1626 HydrophobicContact CD2-CB 4.24Å |
| 1627 | T | 88.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | trans | -117.5 | 155.5 | -178 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | I1611 Q1614 I1620 L1622 R1625 M1629 F1630 | I1611-T1627 HydrophobicContact CD1-CG2 4.35Å; Q1614-T1627 PolarHBondContact NE2-O 2.8Å; I1620-T1627 HydrophobicContact CG2-CG2 4.19Å; I1620-T1627 PolarHBondContact O-N 2.92Å; L1622-T1627 HydrophobicContact CB-CG2 4.02Å; R1625-T1627 PolarHBondContact O-N 3.23Å; T1627-M1629 WeakPolarHBondContact CG2-O 3.49Å; T1627-M1629 PolarHBondContact OG1-N 3.32Å; T1627-M1629 VanDerWaalsContact OG1-N 3.12Å; T1627-M1629 PolarHBondContact OG1-O 3.02Å; T1627-F1630 HydrophobicContact CG2-CD1 4.13Å | ||
| 1628 | T | 89.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -103.7 | -8 | 165.6 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | I1611 | I1611-T1628 PolarHBondContact N-O 2.93Š|
| 1629 | M | 90.1 | Very high | 87.5 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 49% | 0.493 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153 | 178.7 | 61.5 | -178.8 | 68.1 | 0 | 0 | 112.9 | V1608 Y1609 T1627 | V1608-M1629 HydrophobicContact CG1-CB 4.23Å; Y1609-M1629 CarbonylContact O-C 3.49Å; Y1609-M1629 WeakPolarHBondContact O-CA 3.48Å; Y1609-M1629 WeakPolarHBondContact O-CB 3.43Å; T1627-M1629 WeakPolarHBondContact CG2-O 3.49Å; T1627-M1629 PolarHBondContact OG1-N 3.32Å; T1627-M1629 VanDerWaalsContact OG1-N 3.12Å; T1627-M1629 PolarHBondContact OG1-O 3.02Å |
| 1630 | F | 92.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 151.7 | 172.2 | 50.1 | -97.3 | 0 | 0 | 0 | 109.6 | L1590 L1595 Y1609 I1611 I1620 T1627 D1634 I1635 V1640 F1657 | L1590-F1630 HydrophobicContact CD2-CE2 4.46Å; L1590-F1630 HydrophobicContact CD2-CZ 4.31Å; L1595-F1630 HydrophobicContact CD2-CE2 4.2Å; L1595-F1630 HydrophobicContact CD2-CZ 4.34Å; Y1609-F1630 WeakPolarHBondContact CB-O 3.01Å; Y1609-F1630 HydrophobicContact CD1-CE2 4.15Å; Y1609-F1630 AromaticContact CD2-CD2 3.56Å; Y1609-F1630 HydrophobicContact CD2-CD2 3.56Å; Y1609-F1630 AromaticContact CD2-CE2 3.43Å; Y1609-F1630 HydrophobicContact CD2-CE2 3.43Å; Y1609-F1630 VanDerWaalsContact CD2-CE2 3.43Å; Y1609-F1630 HydrophobicContact CE2-CD2 4.42Å; Y1609-F1630 HydrophobicContact CE2-CE2 4.17Å; Y1609-F1630 AromaticContact CG-CD2 3.88Å; Y1609-F1630 HydrophobicContact CG-CD2 3.88Å; Y1609-F1630 AromaticContact CG-CE2 3.4Å; Y1609-F1630 HydrophobicContact CG-CE2 3.4Å; Y1609-F1630 HydrophobicContact CG-CZ 4.14Å; Y1609-F1630 PolarHBondContact N-O 3.1Å; Y1609-F1630 PolarHBondContact O-N 3.33Å; I1611-F1630 HydrophobicContact CD1-CD1 4.22Å; I1611-F1630 HydrophobicContact CD1-CE1 3.79Å; I1611-F1630 HydrophobicContact CG1-CD1 4.47Å; I1611-F1630 HydrophobicContact CG1-CE1 3.9Å; I1620-F1630 HydrophobicContact CG2-CD1 4.22Å; I1620-F1630 HydrophobicContact CG2-CE1 3.98Å; T1627-F1630 HydrophobicContact CG2-CD1 4.13Å; F1630-D1634 HydrophobicContact CB-CB 4.18Å; F1630-I1635 HydrophobicContact CD2-CD1 4.05Å; F1630-I1635 HydrophobicContact CD2-CG1 3.94Å; F1630-I1635 HydrophobicContact CE2-CD1 3.78Å; F1630-I1635 HydrophobicContact CE2-CG1 4.09Å; F1630-V1640 HydrophobicContact CB-CG2 3.59Å; F1630-V1640 HydrophobicContact CD1-CG1 4.05Å; F1630-V1640 HydrophobicContact CD1-CG2 4.23Å; F1630-V1640 HydrophobicContact CD2-CG2 3.87Å; F1630-V1640 HydrophobicContact CE1-CG1 4.17Å; F1630-V1640 HydrophobicContact CG-CG1 4.25Å; F1630-V1640 HydrophobicContact CG-CG2 3.64Å; F1630-V1640 HydrophobicContact CZ-CG1 4.49Å; F1630-F1657 HydrophobicContact CE1-CE2 4.42Å; F1630-F1657 HydrophobicContact CE1-CZ 4.49Å; F1630-F1657 HydrophobicContact CZ-CE2 4.02Å; F1630-F1657 AromaticContact CZ-CZ 4Å; F1630-F1657 HydrophobicContact CZ-CZ 4Å |
| 1631 | S | 90.2 | Very high | 87.5 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 166.1 | 173.8 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | C1607 L1633 D1634 I1635 | C1607-S1631 CarbonylContact O-C 3.54Å; C1607-S1631 VanDerWaalsContact O-CA 3.27Å; C1607-S1631 WeakPolarHBondContact O-CA 3.5Å; S1631-L1633 PolarHBondContact O-N 3.35Å; S1631-L1633 PolarHBondContact OG-N 2.96Å; S1631-D1634 WeakPolarHBondContact CB-OD2 3.44Å; S1631-D1634 PolarHBondContact N-OD2 2.88Å; S1631-D1634 WeakPolarHBondContact O-CB 3.34Å; S1631-D1634 PolarHBondContact O-N 2.95Å; S1631-D1634 VanDerWaalsContact O-N 3.1Å; S1631-D1634 PolarHBondContact OG-N 2.89Å; S1631-D1634 PolarHBondContact OG-OD2 2.89Å; S1631-I1635 PolarHBondContact O-N 3.23Å |
| 1632 | Q | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -36.2 | 167.9 | -176.2 | 59.8 | 57.4 | 0 | 0 | 111 | L1595 Y1596 P1604 C1607 Y1609 D1634 I1635 D1636 | L1595-Q1632 PolarHBondContact O-NE2 2.8Å; Y1596-Q1632 HydrophobicContact CD2-CG 4.21Å; Y1596-Q1632 HydrophobicContact CE2-CG 4.14Å; P1604-Q1632 HydrophobicContact CB-CB 3.98Å; P1604-Q1632 HydrophobicContact CB-CG 4.07Å; P1604-Q1632 WeakPolarHBondContact O-CB 3.29Å; P1604-Q1632 PolarHBondContact O-N 3.34Å; C1607-Q1632 HydrophobicContact CB-CB 4.08Å; C1607-Q1632 PolarHBondContact O-N 3.12Å; Y1609-Q1632 HydrophobicContact CE2-CB 4.21Å; Y1609-Q1632 PolarHBondContact OH-OE1 3.48Å; Q1632-D1634 VanDerWaalsContact C-N 3.26Å; Q1632-D1634 PolarHBondContact O-N 2.82Å; Q1632-I1635 WeakPolarHBondContact O-CB 3.39Å; Q1632-I1635 PolarHBondContact O-N 3.19Å; Q1632-I1635 VanDerWaalsContact O-N 3.07Å; Q1632-D1636 PolarHBondContact NE2-OD1 3.34Å; Q1632-D1636 PolarHBondContact O-N 2.98Å |
| 1633 | L | 87.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -29.9 | 175.5 | -177.5 | 60.3 | 0 | 0 | 0 | 113.1 | P1604 R1605 S1631 D1636 N1637 | P1604-L1633 HydrophobicContact CB-CB 4.23Å; P1604-L1633 PolarHBondContact O-N 3.08Å; R1605-L1633 HydrophobicContact CB-CB 4.31Å; R1605-L1633 HydrophobicContact CB-CD2 3.89Å; S1631-L1633 PolarHBondContact O-N 3.35Å; S1631-L1633 PolarHBondContact OG-N 2.96Å; L1633-D1636 PolarHBondContact O-N 2.89Å; L1633-N1637 WeakPolarHBondContact O-CB 3.41Å; L1633-N1637 PolarHBondContact O-N 3.15Å; L1633-N1637 PolarHBondContact O-ND2 3.23Å; L1633-N1637 VanDerWaalsContact O-ND2 3.07Å |
| 1634 | D | 91.1 | Very high | 88 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.7 | -29.1 | 175.3 | -63.5 | -63.4 | 0 | 0 | 0 | 112.6 | L1622 F1630 S1631 Q1632 G1638 F1639 V1640 | L1622-D1634 HydrophobicContact CD1-CB 3.69Å; F1630-D1634 HydrophobicContact CB-CB 4.18Å; S1631-D1634 WeakPolarHBondContact CB-OD2 3.44Å; S1631-D1634 PolarHBondContact N-OD2 2.88Å; S1631-D1634 WeakPolarHBondContact O-CB 3.34Å; S1631-D1634 PolarHBondContact O-N 2.95Å; S1631-D1634 VanDerWaalsContact O-N 3.1Å; S1631-D1634 PolarHBondContact OG-N 2.89Å; S1631-D1634 PolarHBondContact OG-OD2 2.89Å; Q1632-D1634 VanDerWaalsContact C-N 3.26Å; Q1632-D1634 PolarHBondContact O-N 2.82Å; D1634-G1638 PolarHBondContact O-N 3.29Å; D1634-F1639 PolarHBondContact O-N 2.66Å; D1634-V1640 HydrophobicContact CB-CG2 3.81Å; D1634-V1640 PolarHBondContact O-N 2.85Å |
| 1635 | I | 88.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.1 | -45.3 | 170.8 | -58.2 | 175.7 | 0 | 0 | 0 | 109.8 | L1590 L1595 Y1609 F1630 S1631 Q1632 N1637 G1638 V1640 | L1590-I1635 HydrophobicContact CD2-CD1 4.49Å; L1595-I1635 HydrophobicContact CB-CD1 4.21Å; L1595-I1635 HydrophobicContact CD2-CD1 4.12Å; L1595-I1635 HydrophobicContact CG-CD1 4.1Å; Y1609-I1635 HydrophobicContact CD2-CD1 4.06Å; Y1609-I1635 HydrophobicContact CE2-CD1 3.46Å; Y1609-I1635 VanDerWaalsContact CE2-CD1 3.46Å; F1630-I1635 HydrophobicContact CD2-CD1 4.05Å; F1630-I1635 HydrophobicContact CD2-CG1 3.94Å; F1630-I1635 HydrophobicContact CE2-CD1 3.78Å; F1630-I1635 HydrophobicContact CE2-CG1 4.09Å; S1631-I1635 PolarHBondContact O-N 3.23Å; Q1632-I1635 WeakPolarHBondContact O-CB 3.39Å; Q1632-I1635 PolarHBondContact O-N 3.19Å; Q1632-I1635 VanDerWaalsContact O-N 3.07Å; I1635-N1637 VanDerWaalsContact C-N 3.28Å; I1635-N1637 PolarHBondContact O-N 3.46Å; I1635-G1638 WeakPolarHBondContact O-CA 3.29Å; I1635-G1638 PolarHBondContact O-N 3.32Å; I1635-V1640 HydrophobicContact CG1-CG2 4.04Å |
| 1636 | D | 82.2 | Confident | 88.4 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 32% | 0.316 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -33.4 | -178.4 | -58.6 | -22.8 | 0 | 0 | 0 | 111.8 | S1592 Q1632 L1633 G1638 | S1592-D1636 WeakPolarHBondContact CB-OD1 3.45Å; S1592-D1636 WeakPolarHBondContact OG-CA 3.48Å; S1592-D1636 PolarHBondContact OG-OD1 3.02Å; Q1632-D1636 PolarHBondContact NE2-OD1 3.34Å; Q1632-D1636 PolarHBondContact O-N 2.98Å; L1633-D1636 PolarHBondContact O-N 2.89Å; D1636-G1638 VanDerWaalsContact C-N 3.31Å |
| 1637 | N | 84.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.7 | 171.7 | -68.9 | -32 | 0 | 0 | 0 | 114 | L1633 I1635 F1639 | L1633-N1637 WeakPolarHBondContact O-CB 3.41Å; L1633-N1637 PolarHBondContact O-N 3.15Å; L1633-N1637 PolarHBondContact O-ND2 3.23Å; L1633-N1637 VanDerWaalsContact O-ND2 3.07Å; I1635-N1637 VanDerWaalsContact C-N 3.28Å; I1635-N1637 PolarHBondContact O-N 3.46Å; N1637-F1639 VanDerWaalsContact C-N 3.26Å; N1637-F1639 HydrophobicContact CB-CD1 4.17Å; N1637-F1639 HydrophobicContact CB-CD2 3.72Å; N1637-F1639 HydrophobicContact CB-CE1 4.1Å; N1637-F1639 HydrophobicContact CB-CE2 3.64Å; N1637-F1639 HydrophobicContact CB-CG 3.99Å; N1637-F1639 HydrophobicContact CB-CZ 3.84Å; N1637-F1639 PolarHBondContact O-N 2.62Å |
| 1638 | G | 79.4 | Confident | 87.8 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 20.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1634 I1635 D1636 | D1634-G1638 PolarHBondContact O-N 3.29Å; I1635-G1638 WeakPolarHBondContact O-CA 3.29Å; I1635-G1638 PolarHBondContact O-N 3.32Å; D1636-G1638 VanDerWaalsContact C-N 3.31Å |
| 1639 | F | 88.3 | Confident | 87.6 | Confident | 106 Ų | 106 | 43.4 Ų | 43.4 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | trans | -79.8 | -23.2 | -179.8 | -62.3 | -25.6 | 0 | 0 | 0 | 113.2 | L1622 G1623 D1634 N1637 | L1622-F1639 HydrophobicContact CD1-CB 3.8Å; G1623-F1639 PolarHBondContact N-O 2.76Å; D1634-F1639 PolarHBondContact O-N 2.66Å; N1637-F1639 VanDerWaalsContact C-N 3.26Å; N1637-F1639 HydrophobicContact CB-CD1 4.17Å; N1637-F1639 HydrophobicContact CB-CD2 3.72Å; N1637-F1639 HydrophobicContact CB-CE1 4.1Å; N1637-F1639 HydrophobicContact CB-CE2 3.64Å; N1637-F1639 HydrophobicContact CB-CG 3.99Å; N1637-F1639 HydrophobicContact CB-CZ 3.84Å; N1637-F1639 PolarHBondContact O-N 2.62Å | ||
| 1640 | V | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.6 | 174.3 | -173 | 0 | 0 | 0 | 0 | 109.5 | L1590 I1620 L1621 L1622 F1630 D1634 I1635 | L1590-V1640 HydrophobicContact CB-CB 4.08Å; L1590-V1640 HydrophobicContact CB-CG1 3.9Å; L1590-V1640 HydrophobicContact CD2-CB 4.42Å; L1590-V1640 HydrophobicContact CD2-CG1 3.77Å; L1590-V1640 HydrophobicContact CG-CG1 4.46Å; L1590-V1640 PolarHBondContact N-O 3.2Å; I1620-V1640 HydrophobicContact CG2-CG1 3.66Å; L1621-V1640 CarbonylContact O-C 3.56Å; L1621-V1640 WeakPolarHBondContact O-CA 3.25Å; L1622-V1640 HydrophobicContact CD1-CG2 4.17Å; F1630-V1640 HydrophobicContact CB-CG2 3.59Å; F1630-V1640 HydrophobicContact CD1-CG1 4.05Å; F1630-V1640 HydrophobicContact CD1-CG2 4.23Å; F1630-V1640 HydrophobicContact CD2-CG2 3.87Å; F1630-V1640 HydrophobicContact CE1-CG1 4.17Å; F1630-V1640 HydrophobicContact CG-CG1 4.25Å; F1630-V1640 HydrophobicContact CG-CG2 3.64Å; F1630-V1640 HydrophobicContact CZ-CG1 4.49Å; D1634-V1640 HydrophobicContact CB-CG2 3.81Å; D1634-V1640 PolarHBondContact O-N 2.85Å; I1635-V1640 HydrophobicContact CG1-CG2 4.04Å |
| 1641 | S | 91.4 | Very high | 86.7 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.6 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | T1588 I1620 L1621 | T1588-S1641 CarbonylContact O-C 3.59Å; T1588-S1641 WeakPolarHBondContact O-CA 3.38Å; T1588-S1641 WeakPolarHBondContact O-CB 3.33Å; I1620-S1641 CarbonylContact C-O 3.52Å; I1620-S1641 WeakPolarHBondContact CA-O 3.16Å; L1621-S1641 PolarHBondContact N-O 2.95Å; L1621-S1641 PolarHBondContact O-N 3.1Å |
| 1642 | Y | 93.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.5 | 169.7 | 171.4 | -103.2 | 0 | 0 | 0 | 109.5 | L1580 V1582 I1587 T1588 P1615 Y1617 G1618 I1620 Q1644 D1655 I1681 | L1580-Y1642 HydrophobicContact CD2-CD1 4.36Å; L1580-Y1642 HydrophobicContact CD2-CG 4.24Å; V1582-Y1642 HydrophobicContact CB-CD1 4.43Å; V1582-Y1642 HydrophobicContact CB-CE1 4.37Å; V1582-Y1642 HydrophobicContact CG1-CD1 3.94Å; V1582-Y1642 HydrophobicContact CG1-CE1 3.85Å; V1582-Y1642 HydrophobicContact CG2-CD1 3.73Å; V1582-Y1642 HydrophobicContact CG2-CE1 4.03Å; I1587-Y1642 CarbonylContact C-O 3.53Å; I1587-Y1642 WeakPolarHBondContact CA-O 3.49Å; T1588-Y1642 PolarHBondContact N-O 3.08Å; T1588-Y1642 PolarHBondContact O-N 3.01Å; P1615-Y1642 HydrophobicContact CB-CD2 4.3Å; P1615-Y1642 HydrophobicContact CB-CE2 3.63Å; P1615-Y1642 HydrophobicContact CG-CD2 3.86Å; P1615-Y1642 HydrophobicContact CG-CE2 3.7Å; Y1617-Y1642 VanDerWaalsContact C-OH 3.23Å; Y1617-Y1642 PolarHBondContact O-OH 3.26Å; G1618-Y1642 PolarHBondContact N-OH 2.83Å; I1620-Y1642 HydrophobicContact CD1-CD2 3.99Å; Y1642-Q1644 HydrophobicContact CD1-CB 4.45Å; Y1642-Q1644 HydrophobicContact CE1-CB 3.71Å; Y1642-Q1644 HydrophobicContact CE1-CG 3.83Å; Y1642-D1655 PolarHBondContact OH-OD2 3.13Å; Y1642-I1681 HydrophobicContact CD1-CD1 4.36Å; Y1642-I1681 HydrophobicContact CD1-CG2 4.23Å; Y1642-I1681 HydrophobicContact CD2-CD1 3.46Å; Y1642-I1681 VanDerWaalsContact CD2-CD1 3.46Å; Y1642-I1681 HydrophobicContact CE1-CD1 4.48Å; Y1642-I1681 HydrophobicContact CE1-CG2 3.98Å; Y1642-I1681 HydrophobicContact CE2-CD1 3.63Å; Y1642-I1681 HydrophobicContact CG-CD1 3.84Å |
| 1643 | N | 91.5 | Very high | 86.3 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114 | 174.4 | 178.8 | 12.1 | 0 | 0 | 0 | 109.5 | I1587 G1618 H1619 L1621 S1645 | I1587-N1643 HydrophobicContact CG1-CB 4.07Å; I1587-N1643 WeakPolarHBondContact CG1-OD1 3.42Å; G1618-N1643 CarbonylContact C-O 3.12Å; G1618-N1643 WeakPolarHBondContact CA-O 3.22Å; H1619-N1643 PolarHBondContact N-O 3.26Å; H1619-N1643 PolarHBondContact O-N 2.83Å; L1621-N1643 HydrophobicContact CD1-CB 3.79Å; L1621-N1643 HydrophobicContact CG-CB 4Å; N1643-S1645 PolarHBondContact O-N 2.88Å |
| 1644 | Q | 90.2 | Very high | 86.2 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 104 | -178 | -155.3 | -69.9 | -81.3 | 0 | 0 | 109.7 | V1582 S1586 Y1617 Y1642 Q1646 I1683 | V1582-Q1644 HydrophobicContact CG1-CB 4.06Å; V1582-Q1644 HydrophobicContact CG1-CG 4.16Å; S1586-Q1644 VanDerWaalsContact O-CB 3.31Å; S1586-Q1644 WeakPolarHBondContact O-CB 3.42Å; S1586-Q1644 PolarHBondContact O-N 2.83Å; Y1617-Q1644 PolarHBondContact O-NE2 2.92Å; Y1642-Q1644 HydrophobicContact CD1-CB 4.45Å; Y1642-Q1644 HydrophobicContact CE1-CB 3.71Å; Y1642-Q1644 HydrophobicContact CE1-CG 3.83Å; Q1644-Q1646 PolarHBondContact NE2-O 3.05Å; Q1644-I1683 HydrophobicContact CG-CD1 3.71Å; Q1644-I1683 HydrophobicContact CG-CG1 3.98Å; Q1644-I1683 HydrophobicContact CG-CG2 3.95Å |
| 1645 | S | 83.9 | Confident | 86.2 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | trans | -121.6 | -4.9 | -163.5 | 74 | 0 | 0 | 0 | 0 | 116.2 | Y1617 N1643 | Y1617-S1645 PolarHBondContact O-N 2.87Å; N1643-S1645 PolarHBondContact O-N 2.88Å | ||
| 1646 | Q | 86 | Confident | 86.3 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -105.5 | 150.5 | 172.4 | -63.3 | -66.7 | -4 | 0 | 0 | 110.4 | Y1617 Q1644 | Y1617-Q1646 HydrophobicContact CD1-CB 4.24Å; Y1617-Q1646 PolarHBondContact O-N 3.08Å; Y1617-Q1646 VanDerWaalsContact O-N 3.1Å; Q1644-Q1646 PolarHBondContact NE2-O 3.05Å |
| 1647 | P | 81.4 | Confident | 86.8 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | trans | -60.2 | 141.3 | 173.4 | 25.9 | -34 | 0 | 0 | 0 | 111.5 | ||||
| 1648 | V | 82.7 | Confident | 87 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | trans | -125.6 | 120.4 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 108 | Y1617 Q1653 I1683 F1685 | Y1617-V1648 HydrophobicContact CD1-CG2 3.68Å; Y1617-V1648 HydrophobicContact CE1-CG2 4.28Å; Y1617-V1648 HydrophobicContact CG-CG2 4.35Å; V1648-Q1653 HydrophobicContact CG1-CB 3.44Å; V1648-Q1653 VanDerWaalsContact CG1-CB 3.44Å; V1648-Q1653 HydrophobicContact CG1-CG 4.03Å; V1648-Q1653 HydrophobicContact CG2-CB 4.43Å; V1648-Q1653 HydrophobicContact CG2-CG 4.27Å; V1648-I1683 HydrophobicContact CG1-CG2 4.39Å; V1648-I1683 HydrophobicContact CG2-CD1 3.9Å; V1648-I1683 HydrophobicContact CG2-CG2 4.24Å; V1648-F1685 HydrophobicContact CG1-CE2 4.36Å; V1648-F1685 WeakPolarHBondContact O-CZ 3.31Å | ||
| 1649 | N | 84.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | trans | -109.8 | 21.9 | -174.3 | 68.2 | -28.5 | 0 | 0 | 0 | 113.5 | M1725 D1727 | N1649-M1725 WeakPolarHBondContact CA-O 3.33Å; N1649-D1727 PolarHBondContact ND2-OD1 3.23Å; N1649-D1727 PolarHBondContact ND2-OD2 3.19Å; N1649-D1727 WeakPolarHBondContact O-CB 3.44Å; N1649-D1727 PolarHBondContact O-N 3.15Å | ||
| 1650 | K | 81.7 | Confident | 87.4 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -131 | 145.8 | 179.9 | -65.4 | -175.7 | -178.6 | 178.8 | 0 | 110.4 | L1652 F1685 D1728 | K1650-L1652 PolarHBondContact O-N 3.08Å; K1650-F1685 WeakPolarHBondContact O-CD2 3.38Å; K1650-F1685 WeakPolarHBondContact O-CE2 3.5Å; K1650-D1728 WeakPolarHBondContact CA-OD2 3.49Å |
| 1651 | W | 83.4 | Confident | 86.8 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -56.8 | -35.3 | 179.8 | -173.8 | -93.9 | 0 | 0 | 0 | 111.8 | C1684 F1685 A1686 M1722 I1726 D1728 L1730 V1787 F1788 A1789 L1801 V1803 | W1651-C1684 WeakPolarHBondContact O-CA 2.99Å; W1651-C1684 PolarHBondContact O-SG 2.94Å; W1651-F1685 HydrophobicContact CD2-CB 4.3Å; W1651-F1685 HydrophobicContact CE3-CB 3.98Å; W1651-F1685 HydrophobicContact CZ3-CB 4.18Å; W1651-F1685 PolarHBondContact O-N 2.61Å; W1651-F1685 VanDerWaalsContact O-N 3.15Å; W1651-A1686 HydrophobicContact CZ2-CB 4.12Å; W1651-M1722 HydrophobicContact CE3-CE 4.45Å; W1651-M1722 HydrophobicContact CH2-CE 4.12Å; W1651-M1722 HydrophobicContact CZ3-CE 3.55Å; W1651-M1722 HydrophobicContact CZ3-SD 4.38Å; W1651-I1726 HydrophobicContact CE3-CD1 3.96Å; W1651-I1726 HydrophobicContact CZ3-CD1 4.32Å; W1651-D1728 HydrophobicContact CB-CB 4.37Å; W1651-D1728 PolarHBondContact N-OD2 2.92Å; W1651-L1730 HydrophobicContact CE3-CD2 3.56Å; W1651-L1730 HydrophobicContact CZ3-CD2 3.59Å; W1651-V1787 WeakPolarHBondContact CH2-O 3.4Å; W1651-F1788 HydrophobicContact CZ2-CB 4.34Å; W1651-A1789 HydrophobicContact CB-CB 3.48Å; W1651-A1789 VanDerWaalsContact CB-CB 3.48Å; W1651-A1789 HydrophobicContact CD2-CB 3.72Å; W1651-A1789 HydrophobicContact CE3-CB 4.14Å; W1651-A1789 HydrophobicContact CG-CB 3.4Å; W1651-L1801 PolarHBondContact NE1-O 3.04Å; W1651-V1803 HydrophobicContact CH2-CG2 3.87Å; W1651-V1803 HydrophobicContact CZ2-CG2 4.41Å |
| 1652 | L | 83.3 | Confident | 86.2 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 40% | 0.398 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 106.4 | 173.6 | 178.2 | 64.8 | 0 | 0 | 0 | 110.9 | K1650 I1683 C1684 | K1650-L1652 PolarHBondContact O-N 3.08Å; L1652-I1683 WeakPolarHBondContact CA-O 3.39Å; L1652-C1684 HydrophobicContact CD1-CB 3.94Å |
| 1653 | Q | 85.8 | Confident | 85.2 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.5 | 174.5 | -179.9 | 55.2 | 50.7 | 0 | 0 | 110.8 | Y1617 V1648 S1682 I1683 | Y1617-Q1653 HydrophobicContact CD1-CG 4.26Å; Y1617-Q1653 HydrophobicContact CD2-CG 4.2Å; Y1617-Q1653 HydrophobicContact CE1-CG 3.96Å; Y1617-Q1653 HydrophobicContact CE2-CG 3.9Å; Y1617-Q1653 VanDerWaalsContact CE2-NE2 3.3Å; Y1617-Q1653 HydrophobicContact CG-CG 4.37Å; Y1617-Q1653 PolarHBondContact OH-NE2 2.85Å; V1648-Q1653 HydrophobicContact CG1-CB 3.44Å; V1648-Q1653 VanDerWaalsContact CG1-CB 3.44Å; V1648-Q1653 HydrophobicContact CG1-CG 4.03Å; V1648-Q1653 HydrophobicContact CG2-CB 4.43Å; V1648-Q1653 HydrophobicContact CG2-CG 4.27Å; Q1653-S1682 CarbonylContact O-C 3.54Å; Q1653-S1682 WeakPolarHBondContact O-CA 3.48Å; Q1653-I1683 HydrophobicContact CB-CB 4.46Å; Q1653-I1683 PolarHBondContact N-O 2.86Å; Q1653-I1683 PolarHBondContact O-N 2.9Å |
| 1654 | K | 85.3 | Confident | 84.1 | Confident | 150 Ų | 150 | 44.5 Ų | 44.5 | 65% | 0.652 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.1 | 178.4 | -65.4 | 173.7 | -174.7 | 168.7 | 0 | 110.7 | ||
| 1655 | D | 90.7 | Very high | 82.5 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 166 | 174.1 | -164.3 | 9.6 | 0 | 0 | 0 | 110.2 | P1615 A1616 Y1617 Y1642 I1681 I1683 | P1615-D1655 WeakPolarHBondContact CB-OD2 3.41Å; A1616-D1655 PolarHBondContact N-OD1 2.9Å; A1616-D1655 PolarHBondContact N-OD2 3.01Å; Y1617-D1655 WeakPolarHBondContact CA-OD2 3.41Å; Y1617-D1655 WeakPolarHBondContact CB-OD2 3.21Å; Y1617-D1655 HydrophobicContact CD2-CB 3.97Å; Y1617-D1655 PolarHBondContact N-OD2 3.42Å; Y1642-D1655 PolarHBondContact OH-OD2 3.13Å; D1655-I1681 HydrophobicContact CB-CB 4.17Å; D1655-I1681 PolarHBondContact N-O 2.89Å; D1655-I1681 PolarHBondContact O-N 3.13Å; D1655-I1681 VanDerWaalsContact O-O 3.06Å; D1655-I1683 HydrophobicContact CB-CD1 4.44Å |
| 1656 | F | 92.3 | Very high | 81.2 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 150.6 | 177.2 | 64.9 | -87 | 0 | 0 | 0 | 111.7 | P1615 R1678 F1679 | P1615-F1656 WeakPolarHBondContact CA-O 3.31Å; F1656-R1678 HydrophobicContact CD2-CB 4.48Å; F1656-R1678 HydrophobicContact CD2-CG 3.97Å; F1656-R1678 HydrophobicContact CE2-CG 4.38Å; F1656-F1679 WeakPolarHBondContact CA-O 3.05Å; F1656-F1679 WeakPolarHBondContact CB-O 3.09Å |
| 1657 | F | 92.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 149 | 163.6 | 70.3 | -98.4 | 0 | 0 | 0 | 110.2 | L1590 L1595 I1611 D1613 P1615 I1620 F1630 Y1659 R1678 F1679 I1681 | L1590-F1657 HydrophobicContact CD2-CZ 4.26Å; L1595-F1657 HydrophobicContact CD2-CZ 4.32Å; I1611-F1657 HydrophobicContact CG2-CD2 4.44Å; D1613-F1657 WeakPolarHBondContact O-CA 3.13Å; D1613-F1657 VanDerWaalsContact O-CB 3.28Å; D1613-F1657 WeakPolarHBondContact O-CB 3.38Å; P1615-F1657 HydrophobicContact CG-CB 4.06Å; I1620-F1657 HydrophobicContact CD1-CD1 3.59Å; I1620-F1657 HydrophobicContact CD1-CE1 3.64Å; I1620-F1657 HydrophobicContact CD1-CG 4.43Å; I1620-F1657 HydrophobicContact CG1-CD1 3.85Å; I1620-F1657 HydrophobicContact CG1-CE1 4.1Å; I1620-F1657 HydrophobicContact CG1-CG 4.2Å; F1630-F1657 HydrophobicContact CE1-CE2 4.42Å; F1630-F1657 HydrophobicContact CE1-CZ 4.49Å; F1630-F1657 HydrophobicContact CZ-CE2 4.02Å; F1630-F1657 AromaticContact CZ-CZ 4Å; F1630-F1657 HydrophobicContact CZ-CZ 4Å; F1657-Y1659 HydrophobicContact CD2-CD1 4.01Å; F1657-Y1659 AromaticContact CE2-CD1 3.65Å; F1657-Y1659 HydrophobicContact CE2-CD1 3.65Å; F1657-Y1659 HydrophobicContact CE2-CE1 4.42Å; F1657-Y1659 HydrophobicContact CE2-CG 4.25Å; F1657-R1678 CarbonylContact O-C 3.15Å; F1657-R1678 WeakPolarHBondContact O-CA 3.47Å; F1657-F1679 HydrophobicContact CD1-CB 3.89Å; F1657-F1679 AromaticContact CD1-CD1 3.79Å; F1657-F1679 HydrophobicContact CD1-CD1 3.79Å; F1657-F1679 HydrophobicContact CD1-CG 4.19Å; F1657-F1679 HydrophobicContact CD2-CB 4.16Å; F1657-F1679 HydrophobicContact CE1-CB 3.56Å; F1657-F1679 AromaticContact CE1-CD1 3.24Å; F1657-F1679 HydrophobicContact CE1-CD1 3.24Å; F1657-F1679 HydrophobicContact CE1-CE1 4.12Å; F1657-F1679 AromaticContact CE1-CG 3.52Å; F1657-F1679 HydrophobicContact CE1-CG 3.52Å; F1657-F1679 HydrophobicContact CE2-CB 3.82Å; F1657-F1679 HydrophobicContact CE2-CG 4.47Å; F1657-F1679 HydrophobicContact CG-CB 4.19Å; F1657-F1679 HydrophobicContact CZ-CB 3.51Å; F1657-F1679 AromaticContact CZ-CD1 3.9Å; F1657-F1679 HydrophobicContact CZ-CD1 3.9Å; F1657-F1679 HydrophobicContact CZ-CD2 4.45Å; F1657-F1679 AromaticContact CZ-CG 3.68Å; F1657-F1679 HydrophobicContact CZ-CG 3.68Å; F1657-F1679 PolarHBondContact N-O 2.74Å; F1657-F1679 PolarHBondContact O-N 3.44Å; F1657-I1681 HydrophobicContact CD1-CD1 4.38Å |
| 1658 | S | 89.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146.1 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | I1611 I1612 D1613 K1677 R1678 | I1611-S1658 CarbonylContact C-O 3.39Å; I1611-S1658 WeakPolarHBondContact CA-O 3.49Å; I1612-S1658 PolarHBondContact N-O 2.88Å; D1613-S1658 PolarHBondContact N-O 3.22Å; D1613-S1658 PolarHBondContact O-N 3.49Å; D1613-S1658 WeakPolarHBondContact OD2-CB 3.35Å; D1613-S1658 PolarHBondContact OD2-OG 3.38Å; S1658-K1677 CarbonylContact C-O 3.58Å; S1658-K1677 WeakPolarHBondContact CA-O 3.34Å; S1658-K1677 WeakPolarHBondContact CB-O 3.2Å; S1658-R1678 WeakPolarHBondContact OG-CG 3.24Å |
| 1659 | Y | 89.4 | Confident | 76.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.2 | -178.6 | 64.8 | -87.8 | 0 | 0 | 0 | 112.4 | I1574 L1595 Y1609 S1610 F1657 V1661 R1676 K1677 F1679 | I1574-Y1659 HydrophobicContact CD1-CE2 3.76Å; L1595-Y1659 HydrophobicContact CD1-CE1 4.46Å; L1595-Y1659 HydrophobicContact CD1-CE2 4.49Å; L1595-Y1659 WeakPolarHBondContact CD1-OH 3.26Å; Y1609-Y1659 AromaticContact CD1-CD2 3.64Å; Y1609-Y1659 HydrophobicContact CD1-CD2 3.64Å; Y1609-Y1659 AromaticContact CD1-CE2 3.8Å; Y1609-Y1659 HydrophobicContact CD1-CE2 3.8Å; Y1609-Y1659 HydrophobicContact CD1-CG 4.39Å; Y1609-Y1659 HydrophobicContact CE1-CD2 4.24Å; Y1609-Y1659 AromaticContact CE1-CE2 3.92Å; Y1609-Y1659 HydrophobicContact CE1-CE2 3.92Å; S1610-Y1659 CarbonylContact O-C 3.37Å; S1610-Y1659 WeakPolarHBondContact O-CA 3.46Å; F1657-Y1659 HydrophobicContact CD2-CD1 4.01Å; F1657-Y1659 AromaticContact CE2-CD1 3.65Å; F1657-Y1659 HydrophobicContact CE2-CD1 3.65Å; F1657-Y1659 HydrophobicContact CE2-CE1 4.42Å; F1657-Y1659 HydrophobicContact CE2-CG 4.25Å; Y1659-V1661 HydrophobicContact CD2-CG2 4.3Å; Y1659-V1661 HydrophobicContact CE2-CG2 4.19Å; Y1659-R1676 CarbonylContact O-C 3.58Å; Y1659-R1676 WeakPolarHBondContact O-CA 3Å; Y1659-K1677 HydrophobicContact CD2-CB 4.45Å; Y1659-K1677 HydrophobicContact CE1-CB 3.99Å; Y1659-K1677 HydrophobicContact CE2-CB 3.93Å; Y1659-K1677 HydrophobicContact CE2-CG 4.32Å; Y1659-K1677 PolarHBondContact N-O 2.04Å; Y1659-K1677 PolarHBondContact O-N 2.81Å; Y1659-F1679 HydrophobicContact CD1-CB 4.26Å; Y1659-F1679 HydrophobicContact CE1-CB 3.89Å |
| 1660 | I | 85.3 | Confident | 74.7 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 161.9 | 163.6 | 49.1 | 170.5 | 0 | 0 | 0 | 109.4 | Y1609 S1610 I1612 S1674 | Y1609-I1660 WeakPolarHBondContact CA-O 3.2Å; S1610-I1660 PolarHBondContact N-O 3.33Å; S1610-I1660 PolarHBondContact O-N 3.1Å; I1612-I1660 HydrophobicContact CD1-CB 4.37Å; I1612-I1660 HydrophobicContact CD1-CD1 4.5Å; I1612-I1660 HydrophobicContact CD1-CG1 4.15Å; I1612-I1660 HydrophobicContact CD1-CG2 3.58Å; I1612-I1660 HydrophobicContact CG1-CG1 4.39Å; I1660-S1674 WeakPolarHBondContact CG2-O 3.47Å |
| 1661 | V | 80 | Confident | 73.1 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.8 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | I1574 T1597 Y1609 Y1659 F1673 | I1574-V1661 HydrophobicContact CD1-CG2 4.01Å; I1574-V1661 HydrophobicContact CG1-CG2 4.04Å; T1597-V1661 HydrophobicContact CG2-CG1 3.73Å; T1597-V1661 HydrophobicContact CG2-CG2 4.42Å; Y1609-V1661 HydrophobicContact CD1-CG2 3.97Å; Y1609-V1661 HydrophobicContact CE1-CG2 4.04Å; Y1659-V1661 HydrophobicContact CD2-CG2 4.3Å; Y1659-V1661 HydrophobicContact CE2-CG2 4.19Å; V1661-F1673 HydrophobicContact CB-CB 4.36Å; V1661-F1673 VanDerWaalsContact O-O 3.09Å |
| 1662 | S | 78.3 | Confident | 71.6 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 154.6 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | V1608 | V1608-S1662 PolarHBondContact N-O 3.49Å; V1608-S1662 PolarHBondContact O-N 2.84Å; V1608-S1662 PolarHBondContact O-OG 2.86Å; V1608-S1662 VanDerWaalsContact O-OG 3.07Å |
| 1663 | L | 72.8 | Confident | 70.3 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144.7 | 172.8 | -66.6 | 178.8 | 0 | 0 | 0 | 110 | L1599 I1602 N1606 M1670 | L1599-L1663 HydrophobicContact CD1-CD2 3.8Å; I1602-L1663 HydrophobicContact CD1-CD1 3.79Å; I1602-L1663 HydrophobicContact CD1-CD2 3.65Å; I1602-L1663 HydrophobicContact CD1-CG 4.4Å; I1602-L1663 HydrophobicContact CG2-CD2 3.92Å; N1606-L1663 WeakPolarHBondContact O-CA 3.06Å; L1663-M1670 HydrophobicContact CD1-CB 3.97Å |
| 1664 | S | 67.6 | Low | 68.9 | Low | 27 Ų | 27 | 69.9 Ų | 69.9 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | trans | -62.7 | 149.9 | 174.6 | 72 | 0 | 0 | 0 | 0 | 111.7 | N1606 V1666 Y1667 | N1606-S1664 VanDerWaalsContact CG-OG 3.31Å; N1606-S1664 PolarHBondContact O-N 3.13Å; N1606-S1664 VanDerWaalsContact O-N 3.15Å; N1606-S1664 PolarHBondContact OD1-OG 3.35Å; S1664-V1666 PolarHBondContact O-N 3.05Å; S1664-Y1667 PolarHBondContact O-N 2.82Å | ||
| 1665 | N | 58 | Low | 68 | Low | 147 Ų | 147 | 67.5 Ų | 67.5 | 79% | 0.786 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -52.7 | -18.6 | -167.6 | -67.4 | 4.2 | 0 | 0 | 0 | 116.3 | Y1667 S1668 | N1665-Y1667 PolarHBondContact O-N 3.01Å; N1665-S1668 WeakPolarHBondContact O-CB 3.45Å; N1665-S1668 PolarHBondContact O-N 2.89Å; N1665-S1668 PolarHBondContact O-OG 3.35Å |
| 1666 | V | 56.1 | Low | 67.6 | Low | 122 Ų | 122 | 73.9 Ų | 73.9 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -63.8 | -24.1 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | S1664 | S1664-V1666 PolarHBondContact O-N 3.05Š|
| 1667 | Y | 53 | Low | 67 | Low | 82 Ų | 82 | 73.2 Ų | 73.2 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -109.3 | 27.9 | -177.1 | -64.5 | -92.8 | 0 | 0 | 0 | 112.9 | N1606 S1664 N1665 N1669 M1670 | N1606-Y1667 WeakPolarHBondContact ND2-CE2 3.44Å; S1664-Y1667 PolarHBondContact O-N 2.82Å; N1665-Y1667 PolarHBondContact O-N 3.01Å; Y1667-N1669 PolarHBondContact O-N 3.5Å; Y1667-M1670 HydrophobicContact CD1-SD 4.5Å; Y1667-M1670 PolarHBondContact O-N 2.86Å |
| 1668 | S | 48.5 | Very low | 66.7 | Low | 98 Ų | 98 | 80.5 Ų | 80.5 | 69% | 0.685 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11.1 | -172.6 | 32.9 | 0 | 0 | 0 | 0 | 116.3 | N1665 | N1665-S1668 WeakPolarHBondContact O-CB 3.45Å; N1665-S1668 PolarHBondContact O-N 2.89Å; N1665-S1668 PolarHBondContact O-OG 3.35Å |
| 1669 | N | 50.7 | Low | 66.7 | Low | 170 Ų | 170 | 80.6 Ų | 80.6 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4 | 174.8 | -71.3 | -10.4 | 0 | 0 | 0 | 114.4 | Y1667 | Y1667-N1669 PolarHBondContact O-N 3.5Š|
| 1670 | M | 44.7 | Very low | 66.7 | Low | 110 Ų | 110 | 89 Ų | 89 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -96.2 | 135.1 | 173.7 | -68.7 | -176 | 76.7 | 0 | 0 | 110.8 | I1602 L1663 Y1667 T1672 | I1602-M1670 HydrophobicContact CD1-SD 4.38Å; L1663-M1670 HydrophobicContact CD1-CB 3.97Å; Y1667-M1670 HydrophobicContact CD1-SD 4.5Å; Y1667-M1670 PolarHBondContact O-N 2.86Å; M1670-T1672 PolarHBondContact O-N 2.76Å |
| 1671 | S | 48.8 | Very low | 66.9 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 127.4 | -175.1 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1672 | T | 51.6 | Low | 67.2 | Low | 90 Ų | 90 | 86.9 Ų | 86.9 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 133 | -175.4 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | M1670 S1674 | M1670-T1672 PolarHBondContact O-N 2.76Å; T1672-S1674 VanDerWaalsContact C-N 3.29Å; T1672-S1674 PolarHBondContact O-N 3.43Å; T1672-S1674 PolarHBondContact O-OG 3.07Å |
| 1673 | F | 57.1 | Low | 67.6 | Low | 77 Ų | 77 | 85.3 Ų | 85.3 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 77.8 | 178.4 | -63.6 | -79.5 | 0 | 0 | 0 | 111.3 | A1573 L1599 V1661 D1675 | A1573-F1673 HydrophobicContact CB-CD1 3.79Å; A1573-F1673 HydrophobicContact CB-CD2 3.89Å; A1573-F1673 HydrophobicContact CB-CE1 3.87Å; A1573-F1673 HydrophobicContact CB-CE2 3.98Å; A1573-F1673 HydrophobicContact CB-CG 3.8Å; A1573-F1673 HydrophobicContact CB-CZ 3.96Å; L1599-F1673 HydrophobicContact CD1-CD2 4.12Å; L1599-F1673 HydrophobicContact CD1-CE2 3.72Å; L1599-F1673 HydrophobicContact CD2-CD2 4.5Å; L1599-F1673 HydrophobicContact CD2-CE2 3.59Å; L1599-F1673 HydrophobicContact CD2-CZ 3.78Å; L1599-F1673 HydrophobicContact CG-CE2 4.33Å; V1661-F1673 HydrophobicContact CB-CB 4.36Å; V1661-F1673 VanDerWaalsContact O-O 3.09Å; F1673-D1675 PolarHBondContact O-N 2.93Å |
| 1674 | S | 56.1 | Low | 68.2 | Low | 94 Ų | 94 | 84.4 Ų | 84.4 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 3.9 | -170 | 28.5 | 0 | 0 | 0 | 0 | 115.3 | I1660 T1672 R1676 | I1660-S1674 WeakPolarHBondContact CG2-O 3.47Å; T1672-S1674 VanDerWaalsContact C-N 3.29Å; T1672-S1674 PolarHBondContact O-N 3.43Å; T1672-S1674 PolarHBondContact O-OG 3.07Å; S1674-R1676 PolarHBondContact O-N 3.01Å |
| 1675 | D | 66.8 | Low | 68.9 | Low | 101 Ų | 101 | 83.6 Ų | 83.6 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 116.8 | 178.6 | -91.8 | 12.7 | 0 | 0 | 0 | 113.5 | F1673 K1677 | F1673-D1675 PolarHBondContact O-N 2.93Å; D1675-K1677 HydrophobicContact CB-CD 4.07Å; D1675-K1677 PolarHBondContact O-N 2.89Å; D1675-K1677 VanDerWaalsContact O-N 3.11Å; D1675-K1677 IonicContact OD2-NZ 3.8Å; D1675-K1677 PolarHBondContact OD2-NZ 3.18Å |
| 1676 | R | 82.1 | Confident | 69.9 | Low | 141 Ų | 141 | 77.5 Ų | 77.5 | 53% | 0.532 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 103.9 | 170.2 | -178.4 | 179.1 | -176.2 | 179.2 | 5.6 | 110.8 | I1612 D1613 Y1659 S1674 | I1612-R1676 HydrophobicContact CD1-CB 4.11Å; I1612-R1676 HydrophobicContact CD1-CG 3.97Å; D1613-R1676 IonicContact OD1-CZ 2.7Å; D1613-R1676 IonicContact OD1-NH2 3.4Å; D1613-R1676 PolarHBondContact OD1-NH2 3.42Å; D1613-R1676 IonicContact OD2-CZ 3.68Å; D1613-R1676 IonicContact OD2-NE 3.84Å; D1613-R1676 PolarHBondContact OD2-NE 3.2Å; D1613-R1676 IonicContact OD2-NH2 3.89Å; D1613-R1676 PolarHBondContact OD2-NH2 3.25Å; Y1659-R1676 CarbonylContact O-C 3.58Å; Y1659-R1676 WeakPolarHBondContact O-CA 3Å; S1674-R1676 PolarHBondContact O-N 3.01Å |
| 1677 | K | 79.1 | Confident | 71 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 168.3 | 172.5 | -50.4 | -53.1 | -170 | -177 | 0 | 110.9 | I1574 S1658 Y1659 D1675 | I1574-K1677 HydrophobicContact CD1-CB 4.46Å; I1574-K1677 HydrophobicContact CD1-CG 3.62Å; S1658-K1677 CarbonylContact C-O 3.58Å; S1658-K1677 WeakPolarHBondContact CA-O 3.34Å; S1658-K1677 WeakPolarHBondContact CB-O 3.2Å; Y1659-K1677 HydrophobicContact CD2-CB 4.45Å; Y1659-K1677 HydrophobicContact CE1-CB 3.99Å; Y1659-K1677 HydrophobicContact CE2-CB 3.93Å; Y1659-K1677 HydrophobicContact CE2-CG 4.32Å; Y1659-K1677 PolarHBondContact N-O 2.04Å; Y1659-K1677 PolarHBondContact O-N 2.81Å; D1675-K1677 HydrophobicContact CB-CD 4.07Å; D1675-K1677 PolarHBondContact O-N 2.89Å; D1675-K1677 VanDerWaalsContact O-N 3.11Å; D1675-K1677 IonicContact OD2-NZ 3.8Å; D1675-K1677 PolarHBondContact OD2-NZ 3.18Å |
| 1678 | R | 86.3 | Confident | 72.1 | Confident | 154 Ų | 154 | 72.4 Ų | 72.4 | 58% | 0.581 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.5 | 178.1 | -77.1 | 179.6 | 177.6 | 165.3 | -0.9 | 111.5 | F1656 F1657 S1658 | F1656-R1678 HydrophobicContact CD2-CB 4.48Å; F1656-R1678 HydrophobicContact CD2-CG 3.97Å; F1656-R1678 HydrophobicContact CE2-CG 4.38Å; F1657-R1678 CarbonylContact O-C 3.15Å; F1657-R1678 WeakPolarHBondContact O-CA 3.47Å; S1658-R1678 WeakPolarHBondContact OG-CG 3.24Å |
| 1679 | F | 89.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.9 | 171.5 | -177 | -91.2 | 0 | 0 | 0 | 110.2 | H1578 L1580 L1590 H1594 L1595 F1656 F1657 Y1659 I1681 | H1578-F1679 WeakPolarHBondContact O-CE2 2.96Å; H1578-F1679 VanDerWaalsContact O-CZ 3.27Å; H1578-F1679 WeakPolarHBondContact O-CZ 3.04Å; L1580-F1679 HydrophobicContact CB-CE1 3.68Å; L1580-F1679 HydrophobicContact CB-CZ 3.89Å; L1590-F1679 HydrophobicContact CD1-CE1 3.74Å; L1590-F1679 HydrophobicContact CD1-CE2 3.79Å; L1590-F1679 HydrophobicContact CD1-CZ 3.33Å; H1594-F1679 HydrophobicContact CB-CE2 4.12Å; H1594-F1679 HydrophobicContact CB-CZ 4.01Å; L1595-F1679 HydrophobicContact CB-CD2 4.17Å; L1595-F1679 HydrophobicContact CB-CE2 4.05Å; L1595-F1679 HydrophobicContact CD1-CD2 4.41Å; L1595-F1679 HydrophobicContact CD2-CD2 4.27Å; F1656-F1679 WeakPolarHBondContact CA-O 3.05Å; F1656-F1679 WeakPolarHBondContact CB-O 3.09Å; F1657-F1679 HydrophobicContact CD1-CB 3.89Å; F1657-F1679 AromaticContact CD1-CD1 3.79Å; F1657-F1679 HydrophobicContact CD1-CD1 3.79Å; F1657-F1679 HydrophobicContact CD1-CG 4.19Å; F1657-F1679 HydrophobicContact CD2-CB 4.16Å; F1657-F1679 HydrophobicContact CE1-CB 3.56Å; F1657-F1679 AromaticContact CE1-CD1 3.24Å; F1657-F1679 HydrophobicContact CE1-CD1 3.24Å; F1657-F1679 HydrophobicContact CE1-CE1 4.12Å; F1657-F1679 AromaticContact CE1-CG 3.52Å; F1657-F1679 HydrophobicContact CE1-CG 3.52Å; F1657-F1679 HydrophobicContact CE2-CB 3.82Å; F1657-F1679 HydrophobicContact CE2-CG 4.47Å; F1657-F1679 HydrophobicContact CG-CB 4.19Å; F1657-F1679 HydrophobicContact CZ-CB 3.51Å; F1657-F1679 AromaticContact CZ-CD1 3.9Å; F1657-F1679 HydrophobicContact CZ-CD1 3.9Å; F1657-F1679 HydrophobicContact CZ-CD2 4.45Å; F1657-F1679 AromaticContact CZ-CG 3.68Å; F1657-F1679 HydrophobicContact CZ-CG 3.68Å; F1657-F1679 PolarHBondContact N-O 2.74Å; F1657-F1679 PolarHBondContact O-N 3.44Å; Y1659-F1679 HydrophobicContact CD1-CB 4.26Å; Y1659-F1679 HydrophobicContact CE1-CB 3.89Å; F1679-I1681 HydrophobicContact CD1-CG1 3.99Å; F1679-I1681 HydrophobicContact CE1-CG1 3.95Å |
| 1680 | R | 89.2 | Confident | 73.9 | Confident | 178 Ų | 178 | 70.5 Ų | 70.5 | 67% | 0.672 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.7 | -172.5 | -63.8 | 178.5 | -178.3 | 164.2 | 1.3 | 112.4 | M1579 L1580 | M1579-R1680 WeakPolarHBondContact CA-O 3.43Å; M1579-R1680 HydrophobicContact CB-CB 4.2Å; M1579-R1680 HydrophobicContact CG-CB 3.85Å; M1579-R1680 HydrophobicContact SD-CB 4.4Å; L1580-R1680 PolarHBondContact N-O 3.4Å |
| 1681 | I | 89.3 | Confident | 75 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.8 | 177.9 | -51.6 | 179.9 | 0 | 0 | 0 | 108.8 | L1580 V1582 Y1642 D1655 F1657 F1679 I1683 | L1580-I1681 HydrophobicContact CB-CG1 4.33Å; L1580-I1681 HydrophobicContact CB-CG2 4.43Å; L1580-I1681 CarbonylContact O-C 3.52Å; L1580-I1681 WeakPolarHBondContact O-CA 3.14Å; V1582-I1681 HydrophobicContact CB-CG2 4.46Å; V1582-I1681 HydrophobicContact CG2-CG2 3.63Å; Y1642-I1681 HydrophobicContact CD1-CD1 4.36Å; Y1642-I1681 HydrophobicContact CD1-CG2 4.23Å; Y1642-I1681 HydrophobicContact CD2-CD1 3.46Å; Y1642-I1681 VanDerWaalsContact CD2-CD1 3.46Å; Y1642-I1681 HydrophobicContact CE1-CD1 4.48Å; Y1642-I1681 HydrophobicContact CE1-CG2 3.98Å; Y1642-I1681 HydrophobicContact CE2-CD1 3.63Å; Y1642-I1681 HydrophobicContact CG-CD1 3.84Å; D1655-I1681 HydrophobicContact CB-CB 4.17Å; D1655-I1681 PolarHBondContact N-O 2.89Å; D1655-I1681 PolarHBondContact O-N 3.13Å; D1655-I1681 VanDerWaalsContact O-O 3.06Å; F1657-I1681 HydrophobicContact CD1-CD1 4.38Å; F1679-I1681 HydrophobicContact CD1-CG1 3.99Å; F1679-I1681 HydrophobicContact CE1-CG1 3.95Å; I1681-I1683 HydrophobicContact CG2-CG1 4.45Å |
| 1682 | S | 85.9 | Confident | 76 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123 | 169.4 | -74.1 | 0 | 0 | 0 | 0 | 110.7 | M1579 L1580 V1582 Q1653 | M1579-S1682 WeakPolarHBondContact CE-OG 3.5Å; M1579-S1682 PolarHBondContact SD-OG 3.35Å; L1580-S1682 PolarHBondContact O-N 3.12Å; V1582-S1682 PolarHBondContact N-O 3.38Å; Q1653-S1682 CarbonylContact O-C 3.54Å; Q1653-S1682 WeakPolarHBondContact O-CA 3.48Å |
| 1683 | I | 87.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.4 | 179.8 | -51.3 | 159.9 | 0 | 0 | 0 | 107.1 | V1582 P1584 Y1617 Q1644 V1648 L1652 Q1653 D1655 I1681 | V1582-I1683 HydrophobicContact CB-CG1 4.32Å; V1582-I1683 CarbonylContact O-C 3.58Å; V1582-I1683 VanDerWaalsContact O-CA 3.28Å; V1582-I1683 WeakPolarHBondContact O-CA 3.36Å; P1584-I1683 HydrophobicContact CG-CG2 4.09Å; Y1617-I1683 HydrophobicContact CG-CD1 4.22Å; Q1644-I1683 HydrophobicContact CG-CD1 3.71Å; Q1644-I1683 HydrophobicContact CG-CG1 3.98Å; Q1644-I1683 HydrophobicContact CG-CG2 3.95Å; V1648-I1683 HydrophobicContact CG1-CG2 4.39Å; V1648-I1683 HydrophobicContact CG2-CD1 3.9Å; V1648-I1683 HydrophobicContact CG2-CG2 4.24Å; L1652-I1683 WeakPolarHBondContact CA-O 3.39Å; Q1653-I1683 HydrophobicContact CB-CB 4.46Å; Q1653-I1683 PolarHBondContact N-O 2.86Å; Q1653-I1683 PolarHBondContact O-N 2.9Å; D1655-I1683 HydrophobicContact CB-CD1 4.44Å; I1681-I1683 HydrophobicContact CG2-CG1 4.45Å |
| 1684 | C | 84.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 133.4 | -172.3 | 177.3 | 0 | 0 | 0 | 0 | 113.3 | V1582 P1584 W1651 L1652 A1686 F1687 | V1582-C1684 PolarHBondContact O-N 2.9Å; P1584-C1684 WeakPolarHBondContact CD-O 3.06Å; W1651-C1684 WeakPolarHBondContact O-CA 2.99Å; W1651-C1684 PolarHBondContact O-SG 2.94Å; L1652-C1684 HydrophobicContact CD1-CB 3.94Å; C1684-A1686 PolarHBondContact O-N 3.26Å; C1684-F1687 HydrophobicContact CB-CD2 3.72Å; C1684-F1687 HydrophobicContact CB-CE2 3.77Å; C1684-F1687 PolarHBondContact O-N 2.9Å; C1684-F1687 VanDerWaalsContact O-N 3.17Å |
| 1685 | F | 83.8 | Confident | 78 | Confident | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -65.5 | -21.9 | -178.3 | -81.1 | -99.4 | 0 | 0 | 0 | 113.6 | P1584 V1648 K1650 W1651 F1687 L1688 M1722 M1725 I1726 | P1584-F1685 HydrophobicContact CB-CZ 4.42Å; P1584-F1685 HydrophobicContact CG-CD1 4.11Å; P1584-F1685 HydrophobicContact CG-CD2 3.8Å; P1584-F1685 HydrophobicContact CG-CE1 4.1Å; P1584-F1685 HydrophobicContact CG-CE2 3.8Å; P1584-F1685 HydrophobicContact CG-CG 3.97Å; P1584-F1685 HydrophobicContact CG-CZ 3.95Å; V1648-F1685 HydrophobicContact CG1-CE2 4.36Å; V1648-F1685 WeakPolarHBondContact O-CZ 3.31Å; K1650-F1685 WeakPolarHBondContact O-CD2 3.38Å; K1650-F1685 WeakPolarHBondContact O-CE2 3.5Å; W1651-F1685 HydrophobicContact CD2-CB 4.3Å; W1651-F1685 HydrophobicContact CE3-CB 3.98Å; W1651-F1685 HydrophobicContact CZ3-CB 4.18Å; W1651-F1685 PolarHBondContact O-N 2.61Å; W1651-F1685 VanDerWaalsContact O-N 3.15Å; F1685-F1687 PolarHBondContact O-N 2.88Å; F1685-F1687 VanDerWaalsContact O-N 3.12Å; F1685-L1688 HydrophobicContact CD1-CD1 3.94Å; F1685-L1688 WeakPolarHBondContact O-CG 2.94Å; F1685-L1688 PolarHBondContact O-N 3.44Å; F1685-M1722 HydrophobicContact CB-CE 4.08Å; F1685-M1722 HydrophobicContact CD1-CE 4.13Å; F1685-M1725 HydrophobicContact CE1-CB 4.48Å; F1685-I1726 HydrophobicContact CB-CD1 4.18Å; F1685-I1726 HydrophobicContact CD1-CD1 3.54Å; F1685-I1726 HydrophobicContact CD1-CG1 4.1Å; F1685-I1726 HydrophobicContact CD2-CD1 3.92Å; F1685-I1726 HydrophobicContact CD2-CG1 4.17Å; F1685-I1726 HydrophobicContact CE1-CD1 3.79Å; F1685-I1726 HydrophobicContact CE1-CG1 3.81Å; F1685-I1726 HydrophobicContact CE2-CD1 4.14Å; F1685-I1726 HydrophobicContact CE2-CG1 3.88Å; F1685-I1726 HydrophobicContact CG-CD1 3.61Å; F1685-I1726 HydrophobicContact CG-CG1 4.27Å; F1685-I1726 HydrophobicContact CZ-CD1 4.08Å; F1685-I1726 HydrophobicContact CZ-CG1 3.7Å |
| 1686 | A | 78.6 | Confident | 78.1 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -62.9 | -13 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1651 C1684 L1801 | W1651-A1686 HydrophobicContact CZ2-CB 4.12Å; C1684-A1686 PolarHBondContact O-N 3.26Å; A1686-L1801 HydrophobicContact CB-CB 4.13Å; A1686-L1801 HydrophobicContact CB-CD2 4.22Å |
| 1687 | F | 78.3 | Confident | 77.4 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -102.4 | 8.8 | -179.9 | -56.1 | -53.9 | 0 | 0 | 0 | 114.5 | L1581 A1583 C1684 F1685 L1801 | L1581-F1687 HydrophobicContact CB-CD2 4.49Å; L1581-F1687 HydrophobicContact CB-CE2 4Å; L1581-F1687 HydrophobicContact CB-CZ 4.37Å; L1581-F1687 HydrophobicContact CD1-CE2 4.35Å; L1581-F1687 HydrophobicContact CD1-CZ 3.96Å; L1581-F1687 HydrophobicContact CD2-CE2 4.16Å; L1581-F1687 HydrophobicContact CD2-CZ 4.45Å; L1581-F1687 HydrophobicContact CG-CE2 4.4Å; L1581-F1687 HydrophobicContact CG-CZ 4.5Å; A1583-F1687 HydrophobicContact CB-CB 3.96Å; A1583-F1687 VanDerWaalsContact CB-O 3.3Å; A1583-F1687 WeakPolarHBondContact CB-O 3.48Å; C1684-F1687 HydrophobicContact CB-CD2 3.72Å; C1684-F1687 HydrophobicContact CB-CE2 3.77Å; C1684-F1687 PolarHBondContact O-N 2.9Å; C1684-F1687 VanDerWaalsContact O-N 3.17Å; F1685-F1687 PolarHBondContact O-N 2.88Å; F1685-F1687 VanDerWaalsContact O-N 3.12Å; F1687-L1801 HydrophobicContact CE1-CD2 4.15Å; F1687-L1801 HydrophobicContact CE2-CD2 4.09Å; F1687-L1801 HydrophobicContact CZ-CD2 3.53Å |
| 1688 | L | 77.4 | Confident | 76.9 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | trans | -58.3 | 138.4 | 174.2 | -71.9 | 174 | 0 | 0 | 0 | 111.7 | F1685 E1692 K1693 M1722 | F1685-L1688 HydrophobicContact CD1-CD1 3.94Å; F1685-L1688 WeakPolarHBondContact O-CG 2.94Å; F1685-L1688 PolarHBondContact O-N 3.44Å; L1688-E1692 HydrophobicContact CB-CB 4.38Å; L1688-E1692 HydrophobicContact CD2-CB 4.14Å; L1688-K1693 HydrophobicContact CB-CG 4.28Å; L1688-K1693 WeakPolarHBondContact O-CE 3.48Å; L1688-M1722 HydrophobicContact CD1-CE 4.5Å | ||
| 1689 | K | 68.7 | Low | 76.2 | Confident | 116 Ų | 116 | 60 Ų | 60 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | trans | -74.9 | 156.3 | 176.2 | -53.1 | -174.3 | -157.4 | 93.9 | 0 | 110.7 | K1691 E1692 K1693 | K1689-K1691 PolarHBondContact O-N 3.15Å; K1689-E1692 HydrophobicContact CB-CG 4.34Å; K1689-E1692 WeakPolarHBondContact CB-OE2 3.49Å; K1689-E1692 WeakPolarHBondContact CG-OE2 3.07Å; K1689-E1692 PolarHBondContact N-OE2 3.18Å; K1689-E1692 IonicContact NZ-OE1 2.76Å; K1689-E1692 PolarHBondContact NZ-OE1 3.01Å; K1689-E1692 IonicContact NZ-OE2 2.73Å; K1689-E1692 CarbonylContact O-C 3.59Å; K1689-E1692 WeakPolarHBondContact O-CA 3.34Å; K1689-E1692 VanDerWaalsContact O-CB 3.31Å; K1689-E1692 WeakPolarHBondContact O-CB 2.83Å; K1689-E1692 PolarHBondContact O-N 3.28Å; K1689-K1693 PolarHBondContact O-N 3.05Å | ||
| 1690 | E | 67.4 | Low | 75.5 | Confident | 112 Ų | 112 | 67.7 Ų | 67.7 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -49.4 | -48.8 | -178.1 | -120 | 54.9 | -151.1 | 0 | 0 | 114.2 | E1692 K1693 D1694 | E1690-E1692 PolarHBondContact O-N 2.84Å; E1690-E1692 VanDerWaalsContact O-N 3.16Å; E1690-K1693 WeakPolarHBondContact O-CA 3.04Å; E1690-K1693 WeakPolarHBondContact O-CB 3.15Å; E1690-K1693 PolarHBondContact O-N 2.03Å; E1690-K1693 WeakPolarHBondContact OE1-CD 3.35Å; E1690-K1693 IonicContact OE1-NZ 3.9Å; E1690-K1693 PolarHBondContact OE1-NZ 3.42Å; E1690-K1693 WeakPolarHBondContact OE2-CE 2.73Å; E1690-K1693 IonicContact OE2-NZ 2.89Å; E1690-K1693 PolarHBondContact OE2-NZ 2.85Å; E1690-D1694 PolarHBondContact O-N 2.87Å |
| 1691 | K | 67 | Low | 74.9 | Confident | 180 Ų | 180 | 62.3 Ų | 62.3 | 78% | 0.783 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.9 | -23.2 | 176.7 | -65.4 | -169.2 | 176.1 | -172.5 | 0 | 114.4 | K1689 | K1689-K1691 PolarHBondContact O-N 3.15Å |
| 1692 | E | 71 | Confident | 74.5 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.4 | -38.9 | 175.7 | -61.8 | 154.4 | -171.1 | 0 | 0 | 109.1 | L1688 K1689 E1690 S1695 V1696 | L1688-E1692 HydrophobicContact CB-CB 4.38Å; L1688-E1692 HydrophobicContact CD2-CB 4.14Å; K1689-E1692 HydrophobicContact CB-CG 4.34Å; K1689-E1692 WeakPolarHBondContact CB-OE2 3.49Å; K1689-E1692 WeakPolarHBondContact CG-OE2 3.07Å; K1689-E1692 PolarHBondContact N-OE2 3.18Å; K1689-E1692 IonicContact NZ-OE1 2.76Å; K1689-E1692 PolarHBondContact NZ-OE1 3.01Å; K1689-E1692 IonicContact NZ-OE2 2.73Å; K1689-E1692 CarbonylContact O-C 3.59Å; K1689-E1692 WeakPolarHBondContact O-CA 3.34Å; K1689-E1692 VanDerWaalsContact O-CB 3.31Å; K1689-E1692 WeakPolarHBondContact O-CB 2.83Å; K1689-E1692 PolarHBondContact O-N 3.28Å; E1690-E1692 PolarHBondContact O-N 2.84Å; E1690-E1692 VanDerWaalsContact O-N 3.16Å; E1692-S1695 PolarHBondContact O-N 3.33Å; E1692-S1695 PolarHBondContact O-OG 3.13Å; E1692-V1696 WeakPolarHBondContact O-CG2 3.19Å; E1692-V1696 PolarHBondContact O-N 2.98Å |
| 1693 | K | 69.5 | Low | 74.2 | Confident | 30 Ų | 30 | 68 Ų | 68 | 13% | 0.13 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 171 | -59 | 175.1 | -171.6 | 165.8 | 0 | 111.2 | L1688 K1689 E1690 S1695 V1696 L1697 V1803 | L1688-K1693 HydrophobicContact CB-CG 4.28Å; L1688-K1693 WeakPolarHBondContact O-CE 3.48Å; K1689-K1693 PolarHBondContact O-N 3.05Å; E1690-K1693 WeakPolarHBondContact O-CA 3.04Å; E1690-K1693 WeakPolarHBondContact O-CB 3.15Å; E1690-K1693 PolarHBondContact O-N 2.03Å; E1690-K1693 WeakPolarHBondContact OE1-CD 3.35Å; E1690-K1693 IonicContact OE1-NZ 3.9Å; E1690-K1693 PolarHBondContact OE1-NZ 3.42Å; E1690-K1693 WeakPolarHBondContact OE2-CE 2.73Å; E1690-K1693 IonicContact OE2-NZ 2.89Å; E1690-K1693 PolarHBondContact OE2-NZ 2.85Å; K1693-S1695 PolarHBondContact O-N 2.84Å; K1693-V1696 PolarHBondContact O-N 2.87Å; K1693-L1697 WeakPolarHBondContact O-CB 2.92Å; K1693-L1697 PolarHBondContact O-N 3.14Å; K1693-V1803 HydrophobicContact CD-CG1 4.15Å |
| 1694 | D | 67 | Low | 73.7 | Confident | 114 Ų | 114 | 68 Ų | 68 | 61% | 0.61 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -53.8 | -29.6 | 178.5 | -65.3 | -29.6 | 0 | 0 | 0 | 113.1 | E1690 | E1690-D1694 PolarHBondContact O-N 2.87Å |
| 1695 | S | 69.9 | Low | 72.9 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -84.7 | -16.9 | -179.4 | 75.6 | 0 | 0 | 0 | 0 | 114.3 | E1692 K1693 | E1692-S1695 PolarHBondContact O-N 3.33Å; E1692-S1695 PolarHBondContact O-OG 3.13Å; K1693-S1695 PolarHBondContact O-N 2.84Å |
| 1696 | V | 69 | Low | 71.8 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -114.6 | -17.2 | -172.9 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | E1692 K1693 T1721 M1722 M1725 | E1692-V1696 WeakPolarHBondContact O-CG2 3.19Å; E1692-V1696 PolarHBondContact O-N 2.98Å; K1693-V1696 PolarHBondContact O-N 2.87Å; V1696-T1721 WeakPolarHBondContact O-CB 3.36Å; V1696-M1722 HydrophobicContact CG1-CB 3.64Å; V1696-M1722 HydrophobicContact CG1-CG 3.78Å; V1696-M1722 PolarHBondContact O-N 2.64Å; V1696-M1725 HydrophobicContact CG1-SD 4.11Å; V1696-M1725 HydrophobicContact CG2-CE 4.31Å; V1696-M1725 HydrophobicContact CG2-SD 4.08Å |
| 1697 | L | 68.1 | Low | 70.7 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -134.6 | 109.4 | -174.9 | -63.5 | 164.8 | 0 | 0 | 0 | 109 | K1693 V1719 M1722 V1803 L1805 | K1693-L1697 WeakPolarHBondContact O-CB 2.92Å; K1693-L1697 PolarHBondContact O-N 3.14Å; L1697-V1719 HydrophobicContact CD2-CB 3.9Å; L1697-V1719 HydrophobicContact CD2-CG1 3.68Å; L1697-M1722 HydrophobicContact CD1-SD 4.07Å; L1697-M1722 HydrophobicContact CD2-CB 3.75Å; L1697-M1722 HydrophobicContact CD2-CG 4.34Å; L1697-M1722 HydrophobicContact CD2-SD 3.89Å; L1697-M1722 HydrophobicContact CG-CB 4.48Å; L1697-M1722 HydrophobicContact CG-SD 4.33Å; L1697-V1803 HydrophobicContact CD1-CG1 4.34Å; L1697-L1805 HydrophobicContact CB-CD2 4.48Å; L1697-L1805 HydrophobicContact CD1-CD1 4.18Å; L1697-L1805 HydrophobicContact CD1-CD2 3.72Å; L1697-L1805 HydrophobicContact CD1-CG 4.47Å; L1697-L1805 HydrophobicContact CD2-CD1 4.49Å |
| 1698 | R | 68 | Low | 70.3 | Confident | 160 Ų | 160 | 79.6 Ų | 79.6 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.7 | -178.9 | -65.3 | 177.5 | 178.7 | 142 | -9.7 | 110.8 | F1717 D1718 | R1698-F1717 CarbonylContact O-C 3.53Å; R1698-F1717 WeakPolarHBondContact O-CA 3.37Å; R1698-D1718 HydrophobicContact CB-CB 4.17Å; R1698-D1718 WeakPolarHBondContact CD-OD2 3.23Å; R1698-D1718 IonicContact CZ-OD2 3.35Å; R1698-D1718 PolarHBondContact N-O 3.42Å; R1698-D1718 VanDerWaalsContact N-O 3.08Å; R1698-D1718 IonicContact NH1-OD2 2.94Å; R1698-D1718 PolarHBondContact NH1-OD2 3Å; R1698-D1718 PolarHBondContact O-N 2.76Å |
| 1699 | I | 71.1 | Confident | 70.5 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.1 | -179.3 | -61.1 | 178.4 | 0 | 0 | 0 | 109.8 | L1805 F1807 | I1699-L1805 HydrophobicContact CD1-CB 4.24Å; I1699-L1805 HydrophobicContact CD1-CD2 4.34Å; I1699-F1807 HydrophobicContact CG2-CB 3.4Å |
| 1700 | R | 75.7 | Confident | 71 | Confident | 164 Ų | 164 | 79.8 Ų | 79.8 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | trans | -131.6 | 141.7 | 173.9 | -64 | -174.3 | 179.9 | 175.1 | -1 | 110.9 | A1715 N1716 | R1700-A1715 WeakPolarHBondContact CD-O 3.21Å; R1700-N1716 PolarHBondContact N-O 3.47Å | ||
| 1701 | P | 76.5 | Confident | 71.6 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 161.9 | 178.2 | 29.5 | -35.7 | 0 | 0 | 0 | 112.4 | N1716 H1808 | P1701-N1716 PolarHBondContact O-ND2 2.9Å; P1701-H1808 WeakPolarHBondContact CA-O 3.03Å; P1701-H1808 WeakPolarHBondContact CB-O 3.13Å |
| 1702 | V | 79.8 | Confident | 72.1 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.3 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V1704 A1710 V1712 F1807 H1808 I1809 N1810 | V1702-V1704 HydrophobicContact CG1-CG2 4.21Å; V1702-A1710 HydrophobicContact CG1-CB 3.57Å; V1702-V1712 HydrophobicContact CG2-CG2 4.19Å; V1702-F1807 HydrophobicContact CG2-CD2 4.15Å; V1702-F1807 HydrophobicContact CG2-CE2 3.79Å; V1702-H1808 PolarHBondContact N-O 2.94Å; V1702-H1808 VanDerWaalsContact N-O 3.07Å; V1702-I1809 HydrophobicContact CB-CG1 4.49Å; V1702-I1809 HydrophobicContact CB-CG2 4.38Å; V1702-I1809 WeakPolarHBondContact O-CA 3.35Å; V1702-N1810 PolarHBondContact O-N 3.13Å |
| 1703 | E | 80.4 | Confident | 72.2 | Confident | 122 Ų | 122 | 69 Ų | 69 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.9 | 175.5 | -65.9 | -172.4 | 176.8 | 0 | 0 | 111.4 | A1710 N1810 L1812 | E1703-A1710 WeakPolarHBondContact O-CB 3.36Å; E1703-N1810 WeakPolarHBondContact CA-O 3.21Å; E1703-L1812 HydrophobicContact CB-CD1 4.26Å; E1703-L1812 HydrophobicContact CB-CG 4.48Å |
| 1704 | V | 76.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.5 | -173.1 | -158.9 | 0 | 0 | 0 | 0 | 110.3 | V1702 A1710 Y1772 H1774 I1809 N1810 L1811 L1812 | V1702-V1704 HydrophobicContact CG1-CG2 4.21Å; V1704-A1710 HydrophobicContact CB-CB 4.32Å; V1704-A1710 HydrophobicContact CG1-CB 4.16Å; V1704-A1710 HydrophobicContact CG2-CB 3.84Å; V1704-Y1772 HydrophobicContact CG1-CD1 4.33Å; V1704-Y1772 HydrophobicContact CG1-CE1 4.36Å; V1704-Y1772 HydrophobicContact CG2-CD1 3.77Å; V1704-Y1772 HydrophobicContact CG2-CE1 3.92Å; V1704-H1774 HydrophobicContact CG1-CB 4.29Å; V1704-I1809 HydrophobicContact CG2-CG2 3.31Å; V1704-N1810 PolarHBondContact N-O 3.28Å; V1704-L1811 HydrophobicContact CB-CD2 4.43Å; V1704-L1811 CarbonylContact O-C 3.59Å; V1704-L1811 WeakPolarHBondContact O-CA 3.41Å; V1704-L1812 PolarHBondContact O-N 2.84Å |
| 1705 | P | 68.5 | Low | 72.2 | Confident | 67 Ų | 67 | 67 Ų | 67 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 156.4 | 166.3 | -18.3 | 31 | 0 | 0 | 0 | 111.4 | R1707 G1708 L1811 | P1705-R1707 PolarHBondContact O-N 2.82Å; P1705-G1708 WeakPolarHBondContact O-CA 3.42Å; P1705-G1708 PolarHBondContact O-N 2.89Å; P1705-L1811 WeakPolarHBondContact O-CD2 3.49Å |
| 1706 | F | 60 | Low | 72.5 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 45% | 0.447 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 123.6 | 172.7 | -172.5 | -101.4 | 0 | 0 | 0 | 111.8 | G1708 L1777 | F1706-G1708 PolarHBondContact O-N 3.37Å; F1706-L1777 HydrophobicContact CE2-CD2 4.36Å; F1706-L1777 HydrophobicContact CZ-CD2 3.7Å |
| 1707 | R | 56.3 | Low | 72.7 | Confident | 165 Ų | 165 | 63.5 Ų | 63.5 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 21.9 | -167.8 | -66.8 | 178.1 | 154 | -160.8 | -8.9 | 114.7 | P1705 | P1705-R1707 PolarHBondContact O-N 2.82Š|
| 1708 | G | 68.9 | Low | 72.6 | Confident | 18 Ų | 18 | 65 Ų | 65 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | trans | -88 | -176 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1705 F1706 H1774 | P1705-G1708 WeakPolarHBondContact O-CA 3.42Å; P1705-G1708 PolarHBondContact O-N 2.89Å; F1706-G1708 PolarHBondContact O-N 3.37Å; G1708-H1774 PolarHBondContact O-N 2.78Å | ||
| 1709 | K | 80.7 | Confident | 72.8 | Confident | 127 Ų | 127 | 58.1 Ų | 58.1 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.4 | 169.5 | 66.1 | 178.2 | -174 | 170 | 0 | 110.1 | V1771 Y1772 R1773 | K1709-V1771 HydrophobicContact CB-CG1 3.92Å; K1709-V1771 HydrophobicContact CD-CG1 4.13Å; K1709-V1771 HydrophobicContact CG-CG1 4.34Å; K1709-Y1772 CarbonylContact C-O 3.09Å; K1709-Y1772 WeakPolarHBondContact CA-O 3.31Å; K1709-R1773 HydrophobicContact CB-CG 3.84Å |
| 1710 | A | 79.8 | Confident | 72.8 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 147.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1702 E1703 V1704 V1771 Y1772 | V1702-A1710 HydrophobicContact CG1-CB 3.57Å; E1703-A1710 WeakPolarHBondContact O-CB 3.36Å; V1704-A1710 HydrophobicContact CB-CB 4.32Å; V1704-A1710 HydrophobicContact CG1-CB 4.16Å; V1704-A1710 HydrophobicContact CG2-CB 3.84Å; A1710-V1771 CarbonylContact O-C 3.49Å; A1710-V1771 WeakPolarHBondContact O-CA 3.41Å; A1710-Y1772 PolarHBondContact N-O 3.12Å; A1710-Y1772 PolarHBondContact O-N 3.18Å |
| 1711 | N | 79.6 | Confident | 72.8 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.5 | -180 | -73.5 | 11.7 | 0 | 0 | 0 | 110.1 | T1713 L1768 | N1711-T1713 HydrophobicContact CB-CG2 4.14Å; N1711-L1768 HydrophobicContact CB-CD1 3.58Å |
| 1712 | V | 77.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122 | 166.9 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | V1702 N1716 F1717 W1734 L1743 L1769 A1770 F1807 | V1702-V1712 HydrophobicContact CG2-CG2 4.19Å; V1712-N1716 HydrophobicContact CG1-CB 4.27Å; V1712-F1717 HydrophobicContact CG1-CE1 4.16Å; V1712-W1734 HydrophobicContact CG1-CH2 4.37Å; V1712-L1743 HydrophobicContact CG2-CD2 3.98Å; V1712-L1769 PolarHBondContact O-N 2.89Å; V1712-A1770 WeakPolarHBondContact CA-O 3.3Å; V1712-A1770 HydrophobicContact CB-CB 4.38Å; V1712-A1770 WeakPolarHBondContact CB-O 3.38Å; V1712-A1770 PolarHBondContact N-O 3.08Å; V1712-A1770 PolarHBondContact O-N 2.9Å; V1712-F1807 HydrophobicContact CG1-CE2 4.13Å; V1712-F1807 HydrophobicContact CG1-CZ 3.9Å |
| 1713 | T | 73.6 | Confident | 72.7 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 172.4 | -170.7 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | N1711 A1715 N1716 D1767 | N1711-T1713 HydrophobicContact CB-CG2 4.14Å; T1713-A1715 PolarHBondContact O-N 2.69Å; T1713-A1715 WeakPolarHBondContact OG1-CB 3.29Å; T1713-A1715 PolarHBondContact OG1-N 2.96Å; T1713-N1716 PolarHBondContact N-OD1 3.06Å; T1713-N1716 WeakPolarHBondContact O-CB 3.41Å; T1713-N1716 PolarHBondContact O-N 2.77Å; T1713-N1716 PolarHBondContact O-OD1 3.41Å; T1713-N1716 PolarHBondContact OG1-OD1 3.25Å; T1713-N1716 VanDerWaalsContact OG1-OD1 3.05Å; T1713-D1767 VanDerWaalsContact CA-O 3.26Å; T1713-D1767 WeakPolarHBondContact CA-O 3.48Å; T1713-D1767 WeakPolarHBondContact CB-O 3.16Å |
| 1714 | N | 67.9 | Low | 72.5 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19.5 | 167.8 | -77 | -18.9 | 0 | 0 | 0 | 113.7 | N1716 I1762 D1764 D1767 | N1714-N1716 VanDerWaalsContact C-N 3.35Å; N1714-I1762 VanDerWaalsContact ND2-CG2 3.3Å; N1714-I1762 WeakPolarHBondContact ND2-CG2 3.46Å; N1714-D1764 PolarHBondContact ND2-O 2.64Å; N1714-D1764 VanDerWaalsContact ND2-O 3.07Å; N1714-D1767 PolarHBondContact N-O 3.37Å |
| 1715 | A | 69.1 | Low | 72.5 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1700 T1713 | R1700-A1715 WeakPolarHBondContact CD-O 3.21Å; T1713-A1715 PolarHBondContact O-N 2.69Å; T1713-A1715 WeakPolarHBondContact OG1-CB 3.29Å; T1713-A1715 PolarHBondContact OG1-N 2.96Å |
| 1716 | N | 76.7 | Confident | 72.9 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -29.3 | 177.7 | -61.9 | 98.2 | 0 | 0 | 0 | 112.8 | R1700 P1701 V1712 T1713 N1714 | R1700-N1716 PolarHBondContact N-O 3.47Å; P1701-N1716 PolarHBondContact O-ND2 2.9Å; V1712-N1716 HydrophobicContact CG1-CB 4.27Å; T1713-N1716 PolarHBondContact N-OD1 3.06Å; T1713-N1716 WeakPolarHBondContact O-CB 3.41Å; T1713-N1716 PolarHBondContact O-N 2.77Å; T1713-N1716 PolarHBondContact O-OD1 3.41Å; T1713-N1716 PolarHBondContact OG1-OD1 3.25Å; T1713-N1716 VanDerWaalsContact OG1-OD1 3.05Å; N1714-N1716 VanDerWaalsContact C-N 3.35Å |
| 1717 | F | 71.5 | Confident | 73.8 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 114.7 | 168.1 | 55.8 | -94.4 | 0 | 0 | 0 | 111.8 | R1698 V1712 V1719 L1732 W1734 L1769 I1785 F1807 | R1698-F1717 CarbonylContact O-C 3.53Å; R1698-F1717 WeakPolarHBondContact O-CA 3.37Å; V1712-F1717 HydrophobicContact CG1-CE1 4.16Å; F1717-V1719 HydrophobicContact CD2-CG1 4.32Å; F1717-L1732 HydrophobicContact CE2-CD1 3.99Å; F1717-L1732 HydrophobicContact CE2-CD2 4.24Å; F1717-W1734 HydrophobicContact CE1-CH2 4.21Å; F1717-W1734 HydrophobicContact CZ-CH2 4.41Å; F1717-L1769 HydrophobicContact CE1-CD1 3.78Å; F1717-L1769 HydrophobicContact CE2-CD1 3.78Å; F1717-L1769 HydrophobicContact CZ-CD1 3.3Å; F1717-I1785 HydrophobicContact CD1-CD1 4.06Å; F1717-I1785 HydrophobicContact CE1-CD1 3.54Å; F1717-I1785 HydrophobicContact CE2-CD1 4.18Å; F1717-I1785 HydrophobicContact CZ-CD1 3.59Å; F1717-F1807 HydrophobicContact CD1-CE1 4.34Å; F1717-F1807 HydrophobicContact CE1-CE1 4.48Å |
| 1718 | D | 67.8 | Low | 74.7 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110 | 177.8 | 158.4 | 24.1 | 0 | 0 | 0 | 109.3 | R1698 A1720 | R1698-D1718 HydrophobicContact CB-CB 4.17Å; R1698-D1718 WeakPolarHBondContact CD-OD2 3.23Å; R1698-D1718 IonicContact CZ-OD2 3.35Å; R1698-D1718 PolarHBondContact N-O 3.42Å; R1698-D1718 VanDerWaalsContact N-O 3.08Å; R1698-D1718 IonicContact NH1-OD2 2.94Å; R1698-D1718 PolarHBondContact NH1-OD2 3Å; R1698-D1718 PolarHBondContact O-N 2.76Å; D1718-A1720 WeakPolarHBondContact OD1-CB 3.43Å; D1718-A1720 PolarHBondContact OD1-N 3.22Å |
| 1719 | V | 71.6 | Confident | 74.9 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -107.2 | 5.3 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | L1697 F1717 T1721 M1722 Q1723 L1732 T1760 | L1697-V1719 HydrophobicContact CD2-CB 3.9Å; L1697-V1719 HydrophobicContact CD2-CG1 3.68Å; F1717-V1719 HydrophobicContact CD2-CG1 4.32Å; V1719-T1721 PolarHBondContact O-N 2.71Å; V1719-M1722 PolarHBondContact O-N 3.28Å; V1719-Q1723 PolarHBondContact O-N 2.99Å; V1719-L1732 HydrophobicContact CG1-CD2 4.2Å; V1719-T1760 HydrophobicContact CG2-CG2 3.6Å | ||
| 1720 | A | 71.2 | Confident | 74.6 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 53% | 0.529 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -30.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1718 Q1723 S1724 | D1718-A1720 WeakPolarHBondContact OD1-CB 3.43Å; D1718-A1720 PolarHBondContact OD1-N 3.22Å; A1720-Q1723 PolarHBondContact O-N 3.08Å; A1720-S1724 WeakPolarHBondContact O-CB 3.3Å; A1720-S1724 PolarHBondContact O-N 2.74Å; A1720-S1724 PolarHBondContact O-OG 3.13Å |
| 1721 | T | 74.8 | Confident | 74.2 | Confident | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | V1696 V1719 S1724 M1725 | V1696-T1721 WeakPolarHBondContact O-CB 3.36Å; V1719-T1721 PolarHBondContact O-N 2.71Å; T1721-S1724 PolarHBondContact O-OG 3.24Å; T1721-M1725 HydrophobicContact CG2-CE 3.84Å; T1721-M1725 WeakPolarHBondContact O-CG 3.38Å |
| 1722 | M | 77.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.9 | -43.1 | 173.7 | -160.5 | -179.7 | -165.4 | 0 | 0 | 111.7 | W1651 F1685 L1688 V1696 L1697 V1719 S1724 M1725 I1726 L1730 V1787 V1803 | W1651-M1722 HydrophobicContact CE3-CE 4.45Å; W1651-M1722 HydrophobicContact CH2-CE 4.12Å; W1651-M1722 HydrophobicContact CZ3-CE 3.55Å; W1651-M1722 HydrophobicContact CZ3-SD 4.38Å; F1685-M1722 HydrophobicContact CB-CE 4.08Å; F1685-M1722 HydrophobicContact CD1-CE 4.13Å; L1688-M1722 HydrophobicContact CD1-CE 4.5Å; V1696-M1722 HydrophobicContact CG1-CB 3.64Å; V1696-M1722 HydrophobicContact CG1-CG 3.78Å; V1696-M1722 PolarHBondContact O-N 2.64Å; L1697-M1722 HydrophobicContact CD1-SD 4.07Å; L1697-M1722 HydrophobicContact CD2-CB 3.75Å; L1697-M1722 HydrophobicContact CD2-CG 4.34Å; L1697-M1722 HydrophobicContact CD2-SD 3.89Å; L1697-M1722 HydrophobicContact CG-CB 4.48Å; L1697-M1722 HydrophobicContact CG-SD 4.33Å; V1719-M1722 PolarHBondContact O-N 3.28Å; M1722-S1724 VanDerWaalsContact C-N 3.29Å; M1722-S1724 PolarHBondContact O-N 2.69Å; M1722-M1725 PolarHBondContact O-N 3.26Å; M1722-M1725 VanDerWaalsContact O-N 3.12Å; M1722-I1726 HydrophobicContact CE-CD1 3.98Å; M1722-I1726 HydrophobicContact CG-CD1 3.87Å; M1722-I1726 WeakPolarHBondContact O-CG1 3.44Å; M1722-I1726 PolarHBondContact O-N 3.46Å; M1722-L1730 HydrophobicContact CB-CD1 4.19Å; M1722-L1730 HydrophobicContact CG-CD1 4Å; M1722-L1730 HydrophobicContact SD-CD1 4.07Å; M1722-V1787 HydrophobicContact SD-CG1 4.38Å; M1722-V1803 HydrophobicContact CE-CG2 4.39Å |
| 1723 | Q | 76.6 | Confident | 73.5 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -27.1 | -179.5 | -169.6 | 63.2 | 85.3 | 0 | 0 | 112.8 | V1719 A1720 M1725 I1726 D1728 L1730 T1760 | V1719-Q1723 PolarHBondContact O-N 2.99Å; A1720-Q1723 PolarHBondContact O-N 3.08Å; Q1723-M1725 VanDerWaalsContact C-N 3.27Å; Q1723-M1725 PolarHBondContact O-N 3.14Å; Q1723-I1726 PolarHBondContact NE2-O 2.96Å; Q1723-I1726 PolarHBondContact O-N 2.96Å; Q1723-I1726 VanDerWaalsContact O-O 3.06Å; Q1723-D1728 PolarHBondContact NE2-O 2.77Å; Q1723-L1730 HydrophobicContact CB-CD1 4.32Å; Q1723-T1760 PolarHBondContact OE1-OG1 2.7Å |
| 1724 | S | 76.6 | Confident | 73.5 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 69% | 0.685 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.4 | 173.6 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | A1720 T1721 M1722 | A1720-S1724 WeakPolarHBondContact O-CB 3.3Å; A1720-S1724 PolarHBondContact O-N 2.74Å; A1720-S1724 PolarHBondContact O-OG 3.13Å; T1721-S1724 PolarHBondContact O-OG 3.24Å; M1722-S1724 VanDerWaalsContact C-N 3.29Å; M1722-S1724 PolarHBondContact O-N 2.69Å |
| 1725 | M | 76.6 | Confident | 73.3 | Confident | 86 Ų | 86 | 42.4 Ų | 42.4 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6.1 | 175.7 | -64.9 | 178.1 | -174.3 | 0 | 0 | 113.4 | N1649 F1685 V1696 T1721 M1722 Q1723 | N1649-M1725 WeakPolarHBondContact CA-O 3.33Å; F1685-M1725 HydrophobicContact CE1-CB 4.48Å; V1696-M1725 HydrophobicContact CG1-SD 4.11Å; V1696-M1725 HydrophobicContact CG2-CE 4.31Å; V1696-M1725 HydrophobicContact CG2-SD 4.08Å; T1721-M1725 HydrophobicContact CG2-CE 3.84Å; T1721-M1725 WeakPolarHBondContact O-CG 3.38Å; M1722-M1725 PolarHBondContact O-N 3.26Å; M1722-M1725 VanDerWaalsContact O-N 3.12Å; Q1723-M1725 VanDerWaalsContact C-N 3.27Å; Q1723-M1725 PolarHBondContact O-N 3.14Å |
| 1726 | I | 76.3 | Confident | 73.1 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -136.9 | 119.4 | -169 | -55.7 | 177.8 | 0 | 0 | 0 | 110.7 | W1651 F1685 M1722 Q1723 D1728 L1730 | W1651-I1726 HydrophobicContact CE3-CD1 3.96Å; W1651-I1726 HydrophobicContact CZ3-CD1 4.32Å; F1685-I1726 HydrophobicContact CB-CD1 4.18Å; F1685-I1726 HydrophobicContact CD1-CD1 3.54Å; F1685-I1726 HydrophobicContact CD1-CG1 4.1Å; F1685-I1726 HydrophobicContact CD2-CD1 3.92Å; F1685-I1726 HydrophobicContact CD2-CG1 4.17Å; F1685-I1726 HydrophobicContact CE1-CD1 3.79Å; F1685-I1726 HydrophobicContact CE1-CG1 3.81Å; F1685-I1726 HydrophobicContact CE2-CD1 4.14Å; F1685-I1726 HydrophobicContact CE2-CG1 3.88Å; F1685-I1726 HydrophobicContact CG-CD1 3.61Å; F1685-I1726 HydrophobicContact CG-CG1 4.27Å; F1685-I1726 HydrophobicContact CZ-CD1 4.08Å; F1685-I1726 HydrophobicContact CZ-CG1 3.7Å; M1722-I1726 HydrophobicContact CE-CD1 3.98Å; M1722-I1726 HydrophobicContact CG-CD1 3.87Å; M1722-I1726 WeakPolarHBondContact O-CG1 3.44Å; M1722-I1726 PolarHBondContact O-N 3.46Å; Q1723-I1726 PolarHBondContact NE2-O 2.96Å; Q1723-I1726 PolarHBondContact O-N 2.96Å; Q1723-I1726 VanDerWaalsContact O-O 3.06Å; I1726-D1728 HydrophobicContact CG2-CB 3.84Å; I1726-D1728 PolarHBondContact O-N 3.37Å; I1726-L1730 HydrophobicContact CD1-CD2 4.39Å | ||
| 1727 | D | 79.3 | Confident | 72.6 | Confident | 109 Ų | 109 | 48.5 Ų | 48.5 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63 | -29.3 | 174.2 | -70.2 | 5.8 | 0 | 0 | 0 | 112.5 | N1649 | N1649-D1727 PolarHBondContact ND2-OD1 3.23Å; N1649-D1727 PolarHBondContact ND2-OD2 3.19Å; N1649-D1727 WeakPolarHBondContact O-CB 3.44Å; N1649-D1727 PolarHBondContact O-N 3.15Å |
| 1728 | D | 74.6 | Confident | 72.6 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -74.2 | 131.7 | 179.1 | -60.7 | -57.4 | 0 | 0 | 0 | 110.9 | K1650 W1651 Q1723 I1726 L1730 A1789 | K1650-D1728 WeakPolarHBondContact CA-OD2 3.49Å; W1651-D1728 HydrophobicContact CB-CB 4.37Å; W1651-D1728 PolarHBondContact N-OD2 2.92Å; Q1723-D1728 PolarHBondContact NE2-O 2.77Å; I1726-D1728 HydrophobicContact CG2-CB 3.84Å; I1726-D1728 PolarHBondContact O-N 3.37Å; D1728-L1730 PolarHBondContact O-N 2.95Å; D1728-A1789 HydrophobicContact CB-CB 3.94Å |
| 1729 | E | 73.8 | Confident | 72.6 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 127.4 | 177.5 | -165.2 | -169 | 148 | 0 | 0 | 110.4 | T1759 K1790 | E1729-T1759 WeakPolarHBondContact OE1-CG2 3.27Å; E1729-K1790 HydrophobicContact CB-CB 4.23Å; E1729-K1790 HydrophobicContact CB-CD 4.11Å; E1729-K1790 HydrophobicContact CG-CD 4.08Å; E1729-K1790 WeakPolarHBondContact O-CB 3.29Å; E1729-K1790 PolarHBondContact O-N 2.85Å; E1729-K1790 WeakPolarHBondContact OE1-CD 3.28Å; E1729-K1790 IonicContact OE1-NZ 3.85Å; E1729-K1790 PolarHBondContact OE1-NZ 2.67Å; E1729-K1790 WeakPolarHBondContact OE2-CD 3.44Å; E1729-K1790 IonicContact OE2-NZ 3.5Å; E1729-K1790 PolarHBondContact OE2-NZ 3.08Å |
| 1730 | L | 74.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 148.1 | -177 | -60.2 | 176.3 | 0 | 0 | 0 | 112.6 | W1651 M1722 Q1723 I1726 D1728 T1760 V1787 A1789 | W1651-L1730 HydrophobicContact CE3-CD2 3.56Å; W1651-L1730 HydrophobicContact CZ3-CD2 3.59Å; M1722-L1730 HydrophobicContact CB-CD1 4.19Å; M1722-L1730 HydrophobicContact CG-CD1 4Å; M1722-L1730 HydrophobicContact SD-CD1 4.07Å; Q1723-L1730 HydrophobicContact CB-CD1 4.32Å; I1726-L1730 HydrophobicContact CD1-CD2 4.39Å; D1728-L1730 PolarHBondContact O-N 2.95Å; L1730-T1760 HydrophobicContact CB-CG2 3.63Å; L1730-T1760 PolarHBondContact O-N 3.49Å; L1730-T1760 PolarHBondContact O-OG1 3.29Å; L1730-V1787 HydrophobicContact CB-CG1 4.49Å; L1730-A1789 HydrophobicContact CD2-CB 4.44Å |
| 1731 | L | 71.1 | Confident | 72.4 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.3 | 174.5 | -72.6 | 170.4 | 0 | 0 | 0 | 110.6 | A1757 T1759 V1787 F1788 K1790 | L1731-A1757 HydrophobicContact CD2-CB 4.39Å; L1731-T1759 HydrophobicContact CD2-CG2 3.61Å; L1731-V1787 WeakPolarHBondContact O-CA 3.35Å; L1731-F1788 HydrophobicContact CB-CD2 4.14Å; L1731-F1788 HydrophobicContact CB-CE2 3.8Å; L1731-F1788 HydrophobicContact CB-CZ 4.08Å; L1731-F1788 HydrophobicContact CD1-CD2 4.27Å; L1731-F1788 HydrophobicContact CD1-CE2 3.59Å; L1731-F1788 HydrophobicContact CD1-CZ 4.3Å; L1731-F1788 HydrophobicContact CG-CE2 4.35Å; L1731-F1788 PolarHBondContact N-O 2.8Å; L1731-F1788 PolarHBondContact O-N 3.01Å; L1731-F1788 VanDerWaalsContact O-N 3.1Å; L1731-K1790 HydrophobicContact CD1-CB 3.98Å; L1731-K1790 HydrophobicContact CD1-CG 3.97Å; L1731-K1790 HydrophobicContact CG-CB 4.14Å; L1731-K1790 HydrophobicContact CG-CG 4.36Å |
| 1732 | L | 71.6 | Confident | 72.3 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 103.7 | -178.7 | -65.3 | 156.7 | 0 | 0 | 0 | 108.9 | F1717 V1719 A1757 V1758 T1760 I1785 N1786 V1787 | F1717-L1732 HydrophobicContact CE2-CD1 3.99Å; F1717-L1732 HydrophobicContact CE2-CD2 4.24Å; V1719-L1732 HydrophobicContact CG1-CD2 4.2Å; L1732-A1757 CarbonylContact O-C 3.57Å; L1732-A1757 WeakPolarHBondContact O-CA 3.39Å; L1732-V1758 HydrophobicContact CB-CB 4.33Å; L1732-V1758 WeakPolarHBondContact CB-O 3.26Å; L1732-V1758 PolarHBondContact N-O 2.92Å; L1732-V1758 PolarHBondContact O-N 2.79Å; L1732-T1760 HydrophobicContact CD1-CG2 3.88Å; L1732-T1760 HydrophobicContact CG-CG2 4.11Å; L1732-I1785 HydrophobicContact CB-CG2 4.19Å; L1732-I1785 HydrophobicContact CD2-CG2 4.05Å; L1732-N1786 CarbonylContact C-O 3.57Å; L1732-N1786 WeakPolarHBondContact CA-O 3.45Å; L1732-V1787 HydrophobicContact CD2-CG2 4.08Å |
| 1733 | E | 71.5 | Confident | 72 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.1 | -180 | 170.9 | -171.5 | -112.8 | 0 | 0 | 110.3 | A1735 A1757 I1785 N1786 F1788 | E1733-A1735 PolarHBondContact O-N 3.24Å; E1733-A1735 VanDerWaalsContact O-N 3.12Å; E1733-A1757 HydrophobicContact CB-CB 4.36Å; E1733-I1785 CarbonylContact O-C 3.58Å; E1733-I1785 WeakPolarHBondContact O-CA 3.26Å; E1733-N1786 HydrophobicContact CB-CB 4.23Å; E1733-N1786 PolarHBondContact N-O 3.19Å; E1733-N1786 PolarHBondContact O-N 3.15Å; E1733-N1786 PolarHBondContact OE2-ND2 3.47Å; E1733-F1788 HydrophobicContact CB-CE1 3.8Å; E1733-F1788 HydrophobicContact CB-CZ 4.36Å |
| 1734 | W | 72.5 | Confident | 71.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 11% | 0.106 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.7 | 174 | -57.6 | 92.3 | 0 | 0 | 0 | 109.5 | V1712 F1717 L1743 I1745 S1756 L1769 A1770 I1783 I1785 F1807 | V1712-W1734 HydrophobicContact CG1-CH2 4.37Å; F1717-W1734 HydrophobicContact CE1-CH2 4.21Å; F1717-W1734 HydrophobicContact CZ-CH2 4.41Å; W1734-L1743 HydrophobicContact CE3-CD1 3.79Å; W1734-L1743 HydrophobicContact CZ3-CD1 3.82Å; W1734-I1745 HydrophobicContact CB-CD1 4.37Å; W1734-I1745 HydrophobicContact CD2-CD1 4.06Å; W1734-I1745 HydrophobicContact CD2-CG1 4.43Å; W1734-I1745 HydrophobicContact CG-CD1 3.75Å; W1734-I1745 HydrophobicContact CZ2-CG1 4.38Å; W1734-S1756 PolarHBondContact N-O 2.83Å; W1734-L1769 HydrophobicContact CZ2-CB 4.38Å; W1734-A1770 HydrophobicContact CH2-CB 4.1Å; W1734-A1770 HydrophobicContact CZ2-CB 4.14Å; W1734-I1783 HydrophobicContact CE3-CG2 3.89Å; W1734-I1783 HydrophobicContact CZ3-CG2 3.85Å; W1734-I1785 HydrophobicContact CD2-CG1 4.5Å; W1734-I1785 HydrophobicContact CE3-CD1 3.96Å; W1734-I1785 HydrophobicContact CE3-CG1 3.87Å; W1734-I1785 HydrophobicContact CH2-CD1 4.27Å; W1734-I1785 HydrophobicContact CZ3-CD1 3.77Å; W1734-I1785 HydrophobicContact CZ3-CG1 4.16Å; W1734-F1807 HydrophobicContact CZ3-CE1 4.4Å; W1734-F1807 HydrophobicContact CZ3-CZ 4.26Å |
| 1735 | A | 63.8 | Low | 70.8 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -37.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1733 T1784 N1786 | E1733-A1735 PolarHBondContact O-N 3.24Å; E1733-A1735 VanDerWaalsContact O-N 3.12Å; A1735-T1784 HydrophobicContact CB-CG2 3.99Å; A1735-T1784 PolarHBondContact N-O 2.96Å; A1735-N1786 WeakPolarHBondContact CB-ND2 3.37Å |
| 1736 | E | 65.3 | Low | 69.7 | Low | 92 Ų | 92 | 53 Ų | 53 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.6 | 175.9 | -57.7 | -179.3 | 112.3 | 0 | 0 | 109.3 | T1784 K1806 | E1736-T1784 HydrophobicContact CG-CG2 4.4Å; E1736-T1784 PolarHBondContact N-O 3.45Å; E1736-T1784 VanDerWaalsContact OE2-CB 3.3Å; E1736-T1784 WeakPolarHBondContact OE2-CB 3.4Å; E1736-T1784 PolarHBondContact OE2-OG1 3.32Å; E1736-K1806 IonicContact OE2-NZ 3.28Å; E1736-K1806 PolarHBondContact OE2-NZ 3.01Å |
| 1737 | M | 65.3 | Low | 68.1 | Low | 116 Ų | 116 | 55.4 Ų | 55.4 | 57% | 0.571 | 28% | 0.284 | S | S | * | . | trans | -81.1 | 154.7 | 172.9 | -71.4 | -67.4 | 166.9 | 0 | 0 | 110.9 | I1745 | M1737-I1745 HydrophobicContact CE-CD1 4.23Š| ||
| 1738 | P | 71.7 | Confident | 66.3 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | trans | -59.7 | 154.8 | 176.5 | -6.9 | 14.7 | 0 | 0 | 0 | 113 | L1743 Y1772 D1781 I1783 | P1738-L1743 HydrophobicContact CG-CD1 4.13Å; P1738-L1743 HydrophobicContact CG-CG 3.88Å; P1738-Y1772 HydrophobicContact CB-CD2 4.29Å; P1738-Y1772 HydrophobicContact CB-CE2 3.67Å; P1738-Y1772 HydrophobicContact CG-CD2 3.86Å; P1738-Y1772 HydrophobicContact CG-CE2 3.74Å; P1738-D1781 WeakPolarHBondContact CB-OD2 3.48Å; P1738-I1783 HydrophobicContact CB-CG1 4.36Å; P1738-I1783 HydrophobicContact CG-CD1 4.37Å; P1738-I1783 HydrophobicContact CG-CG1 3.93Å | ||
| 1739 | K | 69 | Low | 64.3 | Low | 142 Ų | 142 | 59.7 Ų | 59.7 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -94.5 | -21.8 | -175.7 | -65.4 | 160.9 | -174.8 | 158.6 | 0 | 112.8 | D1781 E1782 | K1739-D1781 PolarHBondContact N-OD1 3.27Å; K1739-D1781 PolarHBondContact N-OD2 2.96Å; K1739-E1782 IonicContact NZ-OE2 2.7Å; K1739-E1782 PolarHBondContact NZ-OE2 3.16Å |
| 1740 | N | 70.9 | Confident | 62.4 | Low | 36 Ų | 36 | 64.3 Ų | 64.3 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -125.9 | 16.8 | -174.7 | -71.7 | -57.5 | 0 | 0 | 0 | 112.7 | Y1772 N1775 S1776 A1778 T1780 D1781 | N1740-Y1772 PolarHBondContact O-OH 3.3Å; N1740-N1775 PolarHBondContact O-N 2.04Å; N1740-N1775 PolarHBondContact O-OD1 3.44Å; N1740-S1776 PolarHBondContact O-N 3.31Å; N1740-S1776 VanDerWaalsContact OD1-CB 3.22Å; N1740-S1776 WeakPolarHBondContact OD1-CB 3.43Å; N1740-S1776 PolarHBondContact OD1-OG 2.59Å; N1740-A1778 HydrophobicContact CB-CB 4.46Å; N1740-A1778 WeakPolarHBondContact ND2-CB 3.43Å; N1740-A1778 WeakPolarHBondContact OD1-CB 2.93Å; N1740-T1780 PolarHBondContact ND2-O 3.15Å; N1740-D1781 VanDerWaalsContact CA-OD2 3.29Å; N1740-D1781 WeakPolarHBondContact CA-OD2 3.39Å; N1740-D1781 HydrophobicContact CB-CB 4.12Å; N1740-D1781 WeakPolarHBondContact CB-OD2 3.27Å; N1740-D1781 VanDerWaalsContact N-CG 3.34Å; N1740-D1781 PolarHBondContact N-OD1 2.83Å; N1740-D1781 PolarHBondContact N-OD2 2.82Å |
| 1741 | G | 67.7 | Low | 60.3 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -168.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1772 R1773 N1775 D1781 | G1741-Y1772 WeakPolarHBondContact CA-OH 3.27Å; G1741-R1773 CarbonylContact C-O 3.48Å; G1741-R1773 WeakPolarHBondContact CA-O 3.44Å; G1741-N1775 PolarHBondContact N-OD1 2.83Å; G1741-D1781 PolarHBondContact N-OD2 2.85Å |
| 1742 | W | 71.8 | Confident | 58.6 | Low | 116 Ų | 116 | 72.1 Ų | 72.1 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 164.3 | 174.4 | 68.1 | 88 | 0 | 0 | 0 | 112.2 | E1744 Y1772 R1773 N1775 | W1742-E1744 PolarHBondContact NE1-OE1 3.39Å; W1742-Y1772 CarbonylContact O-C 3.08Å; W1742-Y1772 WeakPolarHBondContact O-CA 3.36Å; W1742-Y1772 WeakPolarHBondContact O-CD2 3.46Å; W1742-R1773 HydrophobicContact CD2-CB 4.02Å; W1742-R1773 HydrophobicContact CE3-CB 4.45Å; W1742-R1773 HydrophobicContact CG-CB 4.5Å; W1742-R1773 HydrophobicContact CH2-CB 4.44Å; W1742-R1773 HydrophobicContact CZ2-CB 3.98Å; W1742-R1773 HydrophobicContact CZ2-CG 4.28Å; W1742-R1773 PolarHBondContact N-O 3.27Å; W1742-R1773 PolarHBondContact O-N 2.8Å; W1742-N1775 HydrophobicContact CE3-CB 4.14Å; W1742-N1775 HydrophobicContact CZ3-CB 3.7Å |
| 1743 | L | 70.8 | Confident | 56.9 | Low | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121 | 175.8 | -74.6 | 165.1 | 0 | 0 | 0 | 110.9 | V1712 W1734 P1738 I1745 A1770 Y1772 I1783 | V1712-L1743 HydrophobicContact CG2-CD2 3.98Å; W1734-L1743 HydrophobicContact CE3-CD1 3.79Å; W1734-L1743 HydrophobicContact CZ3-CD1 3.82Å; P1738-L1743 HydrophobicContact CG-CD1 4.13Å; P1738-L1743 HydrophobicContact CG-CG 3.88Å; L1743-I1745 HydrophobicContact CB-CG1 4.17Å; L1743-I1745 PolarHBondContact O-N 3.28Å; L1743-A1770 HydrophobicContact CB-CB 4.33Å; L1743-A1770 HydrophobicContact CD2-CB 3.75Å; L1743-Y1772 HydrophobicContact CD2-CD2 4.38Å; L1743-I1783 HydrophobicContact CD1-CD1 3.87Å; L1743-I1783 HydrophobicContact CD1-CG1 4.04Å; L1743-I1783 HydrophobicContact CD1-CG2 3.86Å; L1743-I1783 HydrophobicContact CD2-CD1 3.78Å; L1743-I1783 HydrophobicContact CG-CD1 4.12Å |
| 1744 | E | 68.1 | Low | 55.3 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 79.5 | 170.2 | -52.7 | 179.7 | 154.9 | 0 | 0 | 107.6 | W1742 A1770 V1771 R1773 | W1742-E1744 PolarHBondContact NE1-OE1 3.39Å; E1744-A1770 CarbonylContact O-C 3.51Å; E1744-A1770 VanDerWaalsContact O-CA 3.27Å; E1744-A1770 WeakPolarHBondContact O-CA 3.37Å; E1744-V1771 HydrophobicContact CB-CB 4.14Å; E1744-V1771 PolarHBondContact N-O 3.42Å; E1744-V1771 PolarHBondContact O-N 2.86Å; E1744-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1744-R1773 WeakPolarHBondContact OE1-CD 3.46Å; E1744-R1773 IonicContact OE1-CZ 2.61Å; E1744-R1773 IonicContact OE1-NE 3.43Å; E1744-R1773 PolarHBondContact OE1-NE 2.97Å; E1744-R1773 IonicContact OE1-NH1 3.47Å; E1744-R1773 IonicContact OE1-NH2 3.78Å; E1744-R1773 PolarHBondContact OE1-NH2 3.31Å; E1744-R1773 IonicContact OE2-CZ 2.7Å; E1744-R1773 IonicContact OE2-NE 2.69Å; E1744-R1773 PolarHBondContact OE2-NE 2.79Å; E1744-R1773 IonicContact OE2-NH2 2.74Å; E1744-R1773 PolarHBondContact OE2-NH2 2.8Å |
| 1745 | I | 59.7 | Low | 53.7 | Low | 28 Ų | 28 | 84.1 Ų | 84.1 | 14% | 0.144 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.9 | 174.9 | -57 | 160.7 | 0 | 0 | 0 | 107.6 | W1734 M1737 L1743 A1770 | W1734-I1745 HydrophobicContact CB-CD1 4.37Å; W1734-I1745 HydrophobicContact CD2-CD1 4.06Å; W1734-I1745 HydrophobicContact CD2-CG1 4.43Å; W1734-I1745 HydrophobicContact CG-CD1 3.75Å; W1734-I1745 HydrophobicContact CZ2-CG1 4.38Å; M1737-I1745 HydrophobicContact CE-CD1 4.23Å; L1743-I1745 HydrophobicContact CB-CG1 4.17Å; L1743-I1745 PolarHBondContact O-N 3.28Å; I1745-A1770 HydrophobicContact CG1-CB 4.03Å |
| 1746 | N | 53.7 | Low | 52.8 | Low | 78 Ų | 78 | 83.7 Ų | 83.7 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 61.5 | 101.8 | -168.1 | -56.9 | -6 | 0 | 0 | 0 | 113.8 | H1748 | N1746-H1748 PolarHBondContact O-N 3.37Š|
| 1747 | A | 43.9 | Very low | 52.1 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 20.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1768 | A1747-L1768 HydrophobicContact CB-CD2 3.58Å; A1747-L1768 HydrophobicContact CB-CG 4.31Å |
| 1748 | H | 41.8 | Very low | 51.6 | Low | 182 Ų | 182 | 77.7 Ų | 77.7 | 84% | 0.843 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 7.3 | -176.1 | -65.8 | -58.4 | 0 | 0 | 0 | 114.4 | N1746 | N1746-H1748 PolarHBondContact O-N 3.37Š|
| 1749 | G | 31.1 | Very low | 50.6 | Low | 75 Ų | 75 | 79.4 Ų | 79.4 | 77% | 0.773 | 44% | 0.44 | S | S | * | . | trans | 98.7 | -6.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1750 | E | 34.5 | Very low | 49.8 | Very low | 163 Ų | 163 | 73.9 Ų | 73.9 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | trans | -89.1 | 126.6 | -178.1 | -65.5 | -172.6 | 160.1 | 0 | 0 | 113.9 | L1752 | E1750-L1752 PolarHBondContact O-N 3.04Å; E1750-L1752 VanDerWaalsContact O-N 3.13Å | ||
| 1751 | A | 30.5 | Very low | 48.7 | Very low | 80 Ų | 80 | 75.2 Ų | 75.2 | 66% | 0.661 | 44% | 0.435 | S | S | * | . | trans | -84.2 | 85.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1753 | A1751-K1753 PolarHBondContact O-N 3.26Š| ||
| 1752 | L | 36.2 | Very low | 47.7 | Very low | 108 Ų | 108 | 77.6 Ų | 77.6 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | trans | -57.2 | 126.7 | -178.8 | -86.9 | 162.2 | 0 | 0 | 0 | 114.5 | E1750 K1754 | E1750-L1752 PolarHBondContact O-N 3.04Å; E1750-L1752 VanDerWaalsContact O-N 3.13Å; L1752-K1754 PolarHBondContact O-N 2.95Å | ||
| 1753 | K | 34.8 | Very low | 46.5 | Very low | 93 Ų | 93 | 83.3 Ų | 83.3 | 40% | 0.404 | 47% | 0.466 | S | S | . | . | trans | -83.3 | 108.6 | -179.7 | -72.9 | 176.9 | 167.9 | 99.7 | 0 | 112.5 | K449 Y451 A1751 S1755 | K449-K1753 HydrophobicContact CD-CD 4.27Å; Y451-K1753 WeakPolarHBondContact OH-CE 3.41Å; Y451-K1753 PolarHBondContact OH-NZ 2.96Å; A1751-K1753 PolarHBondContact O-N 3.26Å; K1753-S1755 PolarHBondContact O-N 3.29Å; K1753-S1755 VanDerWaalsContact O-N 3.1Å | ||
| 1754 | K | 37.7 | Very low | 45.5 | Very low | 174 Ų | 174 | 88.2 Ų | 88.2 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 64.2 | 0.9 | 152.9 | -90.7 | -177.2 | 175.7 | 176.5 | 0 | 121.5 | P461 L1752 | P461-K1754 HydrophobicContact CG-CD 4.41Å; L1752-K1754 PolarHBondContact O-N 2.95Å |
| 1755 | S | 38.6 | Very low | 44.3 | Very low | 89 Ų | 89 | 91.7 Ų | 91.7 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | trans | -158.1 | 110.8 | 160.1 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | K1753 | K1753-S1755 PolarHBondContact O-N 3.29Å; K1753-S1755 VanDerWaalsContact O-N 3.1Å | ||
| 1756 | S | 46.8 | Very low | 44 | Very low | 32 Ų | 32 | 93 Ų | 93 | 22% | 0.224 | 54% | 0.543 | C | S | . | . | trans | -107.8 | 85.8 | -177.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | W1734 | W1734-S1756 PolarHBondContact N-O 2.83Š| ||
| 1757 | A | 48.6 | Very low | 44.3 | Very low | 46 Ų | 46 | 92.6 Ų | 92.6 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1731 L1732 E1733 | L1731-A1757 HydrophobicContact CD2-CB 4.39Å; L1732-A1757 CarbonylContact O-C 3.57Å; L1732-A1757 WeakPolarHBondContact O-CA 3.39Å; E1733-A1757 HydrophobicContact CB-CB 4.36Å |
| 1758 | V | 54.9 | Low | 45.2 | Very low | 36 Ų | 36 | 92.8 Ų | 92.8 | 22% | 0.218 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.2 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | L1732 I1762 | L1732-V1758 HydrophobicContact CB-CB 4.33Å; L1732-V1758 WeakPolarHBondContact CB-O 3.26Å; L1732-V1758 PolarHBondContact N-O 2.92Å; L1732-V1758 PolarHBondContact O-N 2.79Å; V1758-I1762 HydrophobicContact CG1-CD1 3.83Å |
| 1759 | T | 51 | Low | 46.5 | Very low | 50 Ų | 50 | 84.9 Ų | 84.9 | 31% | 0.307 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.2 | 175.5 | 46.3 | 0 | 0 | 0 | 0 | 112 | E1729 L1731 A1761 | E1729-T1759 WeakPolarHBondContact OE1-CG2 3.27Å; L1731-T1759 HydrophobicContact CD2-CG2 3.61Å; T1759-A1761 PolarHBondContact O-N 2.61Å |
| 1760 | T | 52.6 | Low | 48.5 | Very low | 27 Ų | 27 | 81.3 Ų | 81.3 | 17% | 0.166 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 5.7 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 115.2 | V1719 Q1723 L1730 L1732 I1762 | V1719-T1760 HydrophobicContact CG2-CG2 3.6Å; Q1723-T1760 PolarHBondContact OE1-OG1 2.7Å; L1730-T1760 HydrophobicContact CB-CG2 3.63Å; L1730-T1760 PolarHBondContact O-N 3.49Å; L1730-T1760 PolarHBondContact O-OG1 3.29Å; L1732-T1760 HydrophobicContact CD1-CG2 3.88Å; L1732-T1760 HydrophobicContact CG-CG2 4.11Å; T1760-I1762 PolarHBondContact O-N 2.72Å |
| 1761 | A | 48.5 | Very low | 50.7 | Low | 64 Ų | 64 | 74 Ų | 74 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1759 R1763 | T1759-A1761 PolarHBondContact O-N 2.61Å; A1761-R1763 PolarHBondContact O-N 2.89Å |
| 1762 | I | 47 | Very low | 53.2 | Low | 59 Ų | 59 | 70.2 Ų | 70.2 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | trans | -73.3 | 93.9 | 178.2 | -53.3 | 177.3 | 0 | 0 | 0 | 108.6 | N1714 V1758 T1760 D1767 L1769 | N1714-I1762 VanDerWaalsContact ND2-CG2 3.3Å; N1714-I1762 WeakPolarHBondContact ND2-CG2 3.46Å; V1758-I1762 HydrophobicContact CG1-CD1 3.83Å; T1760-I1762 PolarHBondContact O-N 2.72Å; I1762-D1767 HydrophobicContact CG2-CB 3.69Å; I1762-D1767 WeakPolarHBondContact CG2-OD2 3.28Å; I1762-L1769 HydrophobicContact CD1-CD2 3.6Å | ||
| 1763 | R | 46.2 | Very low | 55.3 | Low | 237 Ų | 237 | 69.2 Ų | 69.2 | 89% | 0.894 | 38% | 0.384 | S | S | * | . | trans | -84.5 | -13.1 | -168.7 | -81.5 | -177.9 | 171 | -175.7 | -2.7 | 115.3 | A1761 | A1761-R1763 PolarHBondContact O-N 2.89Š| ||
| 1764 | D | 48.7 | Very low | 57.1 | Low | 119 Ų | 119 | 65.2 Ų | 65.2 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -98.1 | 142.7 | -171.7 | -72.6 | -56.2 | 0 | 0 | 0 | 113.8 | N1714 G1766 | N1714-D1764 PolarHBondContact ND2-O 2.64Å; N1714-D1764 VanDerWaalsContact ND2-O 3.07Å; D1764-G1766 VanDerWaalsContact C-N 3.33Å; D1764-G1766 PolarHBondContact O-N 2.99Å |
| 1765 | S | 44.7 | Very low | 58.2 | Low | 129 Ų | 129 | 61.5 Ų | 61.5 | 90% | 0.902 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 69.2 | -172.6 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1766 | G | 51.8 | Low | 59 | Low | 55 Ų | 55 | 58.8 Ų | 58.8 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -178 | -13.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1764 | D1764-G1766 VanDerWaalsContact C-N 3.33Å; D1764-G1766 PolarHBondContact O-N 2.99Å |
| 1767 | D | 60.6 | Low | 59.4 | Low | 70 Ų | 70 | 63.3 Ų | 63.3 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -65.6 | 141.5 | -165.9 | -64.7 | -42.3 | 0 | 0 | 0 | 114.8 | T1713 N1714 I1762 L1769 | T1713-D1767 VanDerWaalsContact CA-O 3.26Å; T1713-D1767 WeakPolarHBondContact CA-O 3.48Å; T1713-D1767 WeakPolarHBondContact CB-O 3.16Å; N1714-D1767 PolarHBondContact N-O 3.37Å; I1762-D1767 HydrophobicContact CG2-CB 3.69Å; I1762-D1767 WeakPolarHBondContact CG2-OD2 3.28Å; D1767-L1769 PolarHBondContact O-N 3.44Å | ||
| 1768 | L | 63.7 | Low | 59.6 | Low | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 99.4 | -174.9 | 179 | 55.7 | 0 | 0 | 0 | 110.6 | N1711 A1747 A1770 V1771 | N1711-L1768 HydrophobicContact CB-CD1 3.58Å; A1747-L1768 HydrophobicContact CB-CD2 3.58Å; A1747-L1768 HydrophobicContact CB-CG 4.31Å; L1768-A1770 WeakPolarHBondContact CD1-O 3.43Å; L1768-V1771 HydrophobicContact CD1-CG2 4.05Å; L1768-V1771 HydrophobicContact CD2-CG2 3.93Å; L1768-V1771 HydrophobicContact CG-CG2 4.34Å |
| 1769 | L | 68.9 | Low | 59.8 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -37.8 | -176.7 | -54.7 | 178.6 | 0 | 0 | 0 | 111.8 | V1712 F1717 W1734 I1762 D1767 | V1712-L1769 PolarHBondContact O-N 2.89Å; F1717-L1769 HydrophobicContact CE1-CD1 3.78Å; F1717-L1769 HydrophobicContact CE2-CD1 3.78Å; F1717-L1769 HydrophobicContact CZ-CD1 3.3Å; W1734-L1769 HydrophobicContact CZ2-CB 4.38Å; I1762-L1769 HydrophobicContact CD1-CD2 3.6Å; D1767-L1769 PolarHBondContact O-N 3.44Å |
| 1770 | A | 73.1 | Confident | 60.4 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 157 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1712 W1734 L1743 E1744 I1745 L1768 | V1712-A1770 WeakPolarHBondContact CA-O 3.3Å; V1712-A1770 HydrophobicContact CB-CB 4.38Å; V1712-A1770 WeakPolarHBondContact CB-O 3.38Å; V1712-A1770 PolarHBondContact N-O 3.08Å; V1712-A1770 PolarHBondContact O-N 2.9Å; W1734-A1770 HydrophobicContact CH2-CB 4.1Å; W1734-A1770 HydrophobicContact CZ2-CB 4.14Å; L1743-A1770 HydrophobicContact CB-CB 4.33Å; L1743-A1770 HydrophobicContact CD2-CB 3.75Å; E1744-A1770 CarbonylContact O-C 3.51Å; E1744-A1770 VanDerWaalsContact O-CA 3.27Å; E1744-A1770 WeakPolarHBondContact O-CA 3.37Å; I1745-A1770 HydrophobicContact CG1-CB 4.03Å; L1768-A1770 WeakPolarHBondContact CD1-O 3.43Å |
| 1771 | V | 79.6 | Confident | 61.5 | Low | 10 Ų | 10 | 67.4 Ų | 67.4 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.5 | 163.8 | -176 | 0 | 0 | 0 | 0 | 108.9 | K1709 A1710 E1744 L1768 R1773 | K1709-V1771 HydrophobicContact CB-CG1 3.92Å; K1709-V1771 HydrophobicContact CD-CG1 4.13Å; K1709-V1771 HydrophobicContact CG-CG1 4.34Å; A1710-V1771 CarbonylContact O-C 3.49Å; A1710-V1771 WeakPolarHBondContact O-CA 3.41Å; E1744-V1771 HydrophobicContact CB-CB 4.14Å; E1744-V1771 PolarHBondContact N-O 3.42Å; E1744-V1771 PolarHBondContact O-N 2.86Å; L1768-V1771 HydrophobicContact CD1-CG2 4.05Å; L1768-V1771 HydrophobicContact CD2-CG2 3.93Å; L1768-V1771 HydrophobicContact CG-CG2 4.34Å; V1771-R1773 HydrophobicContact CG1-CG 4.45Å |
| 1772 | Y | 84.2 | Confident | 63 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 137.8 | 169.7 | 173.2 | -97 | 0 | 0 | 0 | 110.4 | V1704 K1709 A1710 P1738 N1740 G1741 W1742 L1743 H1774 D1781 I1783 I1809 | V1704-Y1772 HydrophobicContact CG1-CD1 4.33Å; V1704-Y1772 HydrophobicContact CG1-CE1 4.36Å; V1704-Y1772 HydrophobicContact CG2-CD1 3.77Å; V1704-Y1772 HydrophobicContact CG2-CE1 3.92Å; K1709-Y1772 CarbonylContact C-O 3.09Å; K1709-Y1772 WeakPolarHBondContact CA-O 3.31Å; A1710-Y1772 PolarHBondContact N-O 3.12Å; A1710-Y1772 PolarHBondContact O-N 3.18Å; P1738-Y1772 HydrophobicContact CB-CD2 4.29Å; P1738-Y1772 HydrophobicContact CB-CE2 3.67Å; P1738-Y1772 HydrophobicContact CG-CD2 3.86Å; P1738-Y1772 HydrophobicContact CG-CE2 3.74Å; N1740-Y1772 PolarHBondContact O-OH 3.3Å; G1741-Y1772 WeakPolarHBondContact CA-OH 3.27Å; W1742-Y1772 CarbonylContact O-C 3.08Å; W1742-Y1772 WeakPolarHBondContact O-CA 3.36Å; W1742-Y1772 WeakPolarHBondContact O-CD2 3.46Å; L1743-Y1772 HydrophobicContact CD2-CD2 4.38Å; Y1772-H1774 HydrophobicContact CE1-CB 3.78Å; Y1772-H1774 PolarHBondContact OH-ND1 3.43Å; Y1772-H1774 VanDerWaalsContact OH-ND1 3.12Å; Y1772-D1781 PolarHBondContact OH-OD2 2.84Å; Y1772-I1783 HydrophobicContact CD2-CD1 4.44Å; Y1772-I1809 HydrophobicContact CD1-CD1 3.89Å; Y1772-I1809 HydrophobicContact CD1-CG2 3.99Å; Y1772-I1809 HydrophobicContact CD2-CD1 3.4Å; Y1772-I1809 VanDerWaalsContact CD2-CD1 3.4Å; Y1772-I1809 HydrophobicContact CE1-CD1 3.87Å; Y1772-I1809 HydrophobicContact CE1-CG2 3.73Å; Y1772-I1809 HydrophobicContact CE2-CD1 3.37Å; Y1772-I1809 HydrophobicContact CG-CD1 3.66Å |
| 1773 | R | 79.3 | Confident | 64.3 | Low | 88 Ų | 88 | 63.4 Ų | 63.4 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.1 | 173.5 | -58.9 | -149.7 | -176.7 | 175.8 | 19.8 | 111.4 | K1709 G1741 W1742 E1744 V1771 | K1709-R1773 HydrophobicContact CB-CG 3.84Å; G1741-R1773 CarbonylContact C-O 3.48Å; G1741-R1773 WeakPolarHBondContact CA-O 3.44Å; W1742-R1773 HydrophobicContact CD2-CB 4.02Å; W1742-R1773 HydrophobicContact CE3-CB 4.45Å; W1742-R1773 HydrophobicContact CG-CB 4.5Å; W1742-R1773 HydrophobicContact CH2-CB 4.44Å; W1742-R1773 HydrophobicContact CZ2-CB 3.98Å; W1742-R1773 HydrophobicContact CZ2-CG 4.28Å; W1742-R1773 PolarHBondContact N-O 3.27Å; W1742-R1773 PolarHBondContact O-N 2.8Å; E1744-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1744-R1773 WeakPolarHBondContact OE1-CD 3.46Å; E1744-R1773 IonicContact OE1-CZ 2.61Å; E1744-R1773 IonicContact OE1-NE 3.43Å; E1744-R1773 PolarHBondContact OE1-NE 2.97Å; E1744-R1773 IonicContact OE1-NH1 3.47Å; E1744-R1773 IonicContact OE1-NH2 3.78Å; E1744-R1773 PolarHBondContact OE1-NH2 3.31Å; E1744-R1773 IonicContact OE2-CZ 2.7Å; E1744-R1773 IonicContact OE2-NE 2.69Å; E1744-R1773 PolarHBondContact OE2-NE 2.79Å; E1744-R1773 IonicContact OE2-NH2 2.74Å; E1744-R1773 PolarHBondContact OE2-NH2 2.8Å; V1771-R1773 HydrophobicContact CG1-CG 4.45Å |
| 1774 | H | 73.7 | Confident | 65.7 | Low | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.5 | 179.6 | -165.3 | 93.4 | 0 | 0 | 0 | 111.4 | V1704 G1708 Y1772 S1776 A1778 | V1704-H1774 HydrophobicContact CG1-CB 4.29Å; G1708-H1774 PolarHBondContact O-N 2.78Å; Y1772-H1774 HydrophobicContact CE1-CB 3.78Å; Y1772-H1774 PolarHBondContact OH-ND1 3.43Å; Y1772-H1774 VanDerWaalsContact OH-ND1 3.12Å; H1774-S1776 PolarHBondContact CD2-N 2.8Å; H1774-S1776 VanDerWaalsContact CD2-N 3.34Å; H1774-S1776 PolarHBondContact CD2-O 3.29Å; H1774-S1776 WeakPolarHBondContact NE2-CB 3.42Å; H1774-S1776 PolarHBondContact NE2-N 2.74Å; H1774-S1776 PolarHBondContact NE2-O 3.04Å; H1774-A1778 PolarHBondContact CE1-O 2.81Å; H1774-A1778 PolarHBondContact NE2-O 3.16Å |
| 1775 | N | 60.9 | Low | 66.9 | Low | 95 Ų | 95 | 46.9 Ų | 46.9 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | trans | -117.7 | -7.1 | -176.9 | 72.6 | 9.1 | 0 | 0 | 0 | 114.8 | N1740 G1741 W1742 | N1740-N1775 PolarHBondContact O-N 2.04Å; N1740-N1775 PolarHBondContact O-OD1 3.44Å; G1741-N1775 PolarHBondContact N-OD1 2.83Å; W1742-N1775 HydrophobicContact CE3-CB 4.14Å; W1742-N1775 HydrophobicContact CZ3-CB 3.7Å | ||
| 1776 | S | 54.2 | Low | 68.4 | Low | 33 Ų | 33 | 41 Ų | 41 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -94.1 | -170.5 | -175.8 | -167.1 | 0 | 0 | 0 | 0 | 113.1 | N1740 H1774 A1778 | N1740-S1776 PolarHBondContact O-N 3.31Å; N1740-S1776 VanDerWaalsContact OD1-CB 3.22Å; N1740-S1776 WeakPolarHBondContact OD1-CB 3.43Å; N1740-S1776 PolarHBondContact OD1-OG 2.59Å; H1774-S1776 PolarHBondContact CD2-N 2.8Å; H1774-S1776 VanDerWaalsContact CD2-N 3.34Å; H1774-S1776 PolarHBondContact CD2-O 3.29Å; H1774-S1776 WeakPolarHBondContact NE2-CB 3.42Å; H1774-S1776 PolarHBondContact NE2-N 2.74Å; H1774-S1776 PolarHBondContact NE2-O 3.04Å; S1776-A1778 PolarHBondContact OG-N 2.95Å |
| 1777 | L | 54.6 | Low | 69.6 | Low | 127 Ų | 127 | 38.4 Ų | 38.4 | 67% | 0.665 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -110.5 | 0.4 | 163.9 | -63.6 | 175.6 | 0 | 0 | 0 | 111.9 | F1706 | F1706-L1777 HydrophobicContact CE2-CD2 4.36Å; F1706-L1777 HydrophobicContact CZ-CD2 3.7Å |
| 1778 | A | 53.4 | Low | 70.3 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | trans | -78.6 | 137.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1740 H1774 S1776 T1780 L1811 | N1740-A1778 HydrophobicContact CB-CB 4.46Å; N1740-A1778 WeakPolarHBondContact ND2-CB 3.43Å; N1740-A1778 WeakPolarHBondContact OD1-CB 2.93Å; H1774-A1778 PolarHBondContact CE1-O 2.81Å; H1774-A1778 PolarHBondContact NE2-O 3.16Å; S1776-A1778 PolarHBondContact OG-N 2.95Å; A1778-T1780 PolarHBondContact O-N 2.67Å; A1778-L1811 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1779 | L | 60 | Low | 70.8 | Confident | 113 Ų | 113 | 34.8 Ų | 34.8 | 59% | 0.592 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -74.1 | -7.1 | -171.3 | -64.4 | 173.4 | 0 | 0 | 0 | 115.2 | ||
| 1780 | T | 63.3 | Low | 70.6 | Confident | 89 Ų | 89 | 38 Ų | 38 | 55% | 0.546 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.2 | -174.6 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | N1740 A1778 I1809 | N1740-T1780 PolarHBondContact ND2-O 3.15Å; A1778-T1780 PolarHBondContact O-N 2.67Å; T1780-I1809 WeakPolarHBondContact CA-O 3.39Å |
| 1781 | D | 76.1 | Confident | 70 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 174 | 169.8 | -153.4 | -3.5 | 0 | 0 | 0 | 111.5 | P1738 K1739 N1740 G1741 Y1772 H1808 I1809 | P1738-D1781 WeakPolarHBondContact CB-OD2 3.48Å; K1739-D1781 PolarHBondContact N-OD1 3.27Å; K1739-D1781 PolarHBondContact N-OD2 2.96Å; N1740-D1781 VanDerWaalsContact CA-OD2 3.29Å; N1740-D1781 WeakPolarHBondContact CA-OD2 3.39Å; N1740-D1781 HydrophobicContact CB-CB 4.12Å; N1740-D1781 WeakPolarHBondContact CB-OD2 3.27Å; N1740-D1781 VanDerWaalsContact N-CG 3.34Å; N1740-D1781 PolarHBondContact N-OD1 2.83Å; N1740-D1781 PolarHBondContact N-OD2 2.82Å; G1741-D1781 PolarHBondContact N-OD2 2.85Å; Y1772-D1781 PolarHBondContact OH-OD2 2.84Å; D1781-H1808 WeakPolarHBondContact O-CA 3.39Å; D1781-I1809 HydrophobicContact CB-CB 4.03Å; D1781-I1809 HydrophobicContact CB-CD1 4.06Å; D1781-I1809 HydrophobicContact CB-CG1 4.23Å; D1781-I1809 PolarHBondContact N-O 3.42Å; D1781-I1809 PolarHBondContact O-N 2.96Å |
| 1782 | E | 78.3 | Confident | 68.5 | Low | 40 Ų | 40 | 51.3 Ų | 51.3 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 142.8 | -172.1 | -172.8 | -168.7 | -174.6 | 0 | 0 | 111.3 | K1739 K1806 F1807 | K1739-E1782 IonicContact NZ-OE2 2.7Å; K1739-E1782 PolarHBondContact NZ-OE2 3.16Å; E1782-K1806 VanDerWaalsContact OE1-CD 3.3Å; E1782-K1806 WeakPolarHBondContact OE1-CD 3.01Å; E1782-K1806 WeakPolarHBondContact OE1-CE 3.36Å; E1782-K1806 IonicContact OE1-NZ 3.34Å; E1782-K1806 PolarHBondContact OE1-NZ 3.17Å; E1782-F1807 WeakPolarHBondContact CA-O 3.12Å |
| 1783 | I | 74.6 | Confident | 66.6 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.4 | 174.1 | -63.3 | 161 | 0 | 0 | 0 | 110 | W1734 P1738 L1743 Y1772 K1806 F1807 I1809 | W1734-I1783 HydrophobicContact CE3-CG2 3.89Å; W1734-I1783 HydrophobicContact CZ3-CG2 3.85Å; P1738-I1783 HydrophobicContact CB-CG1 4.36Å; P1738-I1783 HydrophobicContact CG-CD1 4.37Å; P1738-I1783 HydrophobicContact CG-CG1 3.93Å; L1743-I1783 HydrophobicContact CD1-CD1 3.87Å; L1743-I1783 HydrophobicContact CD1-CG1 4.04Å; L1743-I1783 HydrophobicContact CD1-CG2 3.86Å; L1743-I1783 HydrophobicContact CD2-CD1 3.78Å; L1743-I1783 HydrophobicContact CG-CD1 4.12Å; Y1772-I1783 HydrophobicContact CD2-CD1 4.44Å; I1783-K1806 CarbonylContact O-C 3.57Å; I1783-K1806 WeakPolarHBondContact O-CA 3.19Å; I1783-F1807 HydrophobicContact CB-CD1 4.05Å; I1783-F1807 HydrophobicContact CB-CD2 4.48Å; I1783-F1807 HydrophobicContact CB-CE1 3.61Å; I1783-F1807 HydrophobicContact CB-CE2 4.08Å; I1783-F1807 HydrophobicContact CB-CG 4.48Å; I1783-F1807 HydrophobicContact CB-CZ 3.63Å; I1783-F1807 HydrophobicContact CD1-CD2 4.47Å; I1783-F1807 HydrophobicContact CD1-CE1 4.4Å; I1783-F1807 HydrophobicContact CD1-CE2 3.56Å; I1783-F1807 HydrophobicContact CD1-CZ 3.52Å; I1783-F1807 HydrophobicContact CG1-CE2 4.37Å; I1783-F1807 HydrophobicContact CG1-CZ 4.18Å; I1783-F1807 HydrophobicContact CG2-CD1 4.28Å; I1783-F1807 HydrophobicContact CG2-CE1 3.48Å; I1783-F1807 VanDerWaalsContact CG2-CE1 3.48Å; I1783-F1807 HydrophobicContact CG2-CZ 3.66Å; I1783-F1807 PolarHBondContact N-O 3.35Å; I1783-F1807 PolarHBondContact O-N 2.79Å; I1783-I1809 HydrophobicContact CD1-CD1 3.59Å; I1783-I1809 HydrophobicContact CD1-CG1 4.33Å; I1783-I1809 HydrophobicContact CG1-CD1 4.08Å |
| 1784 | T | 76.6 | Confident | 64.8 | Low | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.7 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | A1735 E1736 I1804 L1805 K1806 | A1735-T1784 HydrophobicContact CB-CG2 3.99Å; A1735-T1784 PolarHBondContact N-O 2.96Å; E1736-T1784 HydrophobicContact CG-CG2 4.4Å; E1736-T1784 PolarHBondContact N-O 3.45Å; E1736-T1784 VanDerWaalsContact OE2-CB 3.3Å; E1736-T1784 WeakPolarHBondContact OE2-CB 3.4Å; E1736-T1784 PolarHBondContact OE2-OG1 3.32Å; T1784-I1804 HydrophobicContact CG2-CG2 3.51Å; T1784-L1805 CarbonylContact C-O 3.59Å; T1784-L1805 VanDerWaalsContact CA-O 3.28Å; T1784-L1805 WeakPolarHBondContact CA-O 3.45Å; T1784-L1805 WeakPolarHBondContact CG2-O 2.99Å; T1784-K1806 HydrophobicContact CG2-CG 4.03Å; T1784-K1806 PolarHBondContact OG1-NZ 2.83Å; T1784-K1806 VanDerWaalsContact OG1-NZ 3.09Å |
| 1785 | I | 73.9 | Confident | 62.9 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.8 | 178.6 | -60.4 | 178.1 | 0 | 0 | 0 | 110.1 | F1717 L1732 E1733 W1734 L1805 F1807 | F1717-I1785 HydrophobicContact CD1-CD1 4.06Å; F1717-I1785 HydrophobicContact CE1-CD1 3.54Å; F1717-I1785 HydrophobicContact CE2-CD1 4.18Å; F1717-I1785 HydrophobicContact CZ-CD1 3.59Å; L1732-I1785 HydrophobicContact CB-CG2 4.19Å; L1732-I1785 HydrophobicContact CD2-CG2 4.05Å; E1733-I1785 CarbonylContact O-C 3.58Å; E1733-I1785 WeakPolarHBondContact O-CA 3.26Å; W1734-I1785 HydrophobicContact CD2-CG1 4.5Å; W1734-I1785 HydrophobicContact CE3-CD1 3.96Å; W1734-I1785 HydrophobicContact CE3-CG1 3.87Å; W1734-I1785 HydrophobicContact CH2-CD1 4.27Å; W1734-I1785 HydrophobicContact CZ3-CD1 3.77Å; W1734-I1785 HydrophobicContact CZ3-CG1 4.16Å; I1785-L1805 PolarHBondContact N-O 2.77Å; I1785-L1805 PolarHBondContact O-N 2.78Å; I1785-F1807 HydrophobicContact CD1-CE1 3.87Å; I1785-F1807 HydrophobicContact CG1-CE1 4.33Å |
| 1786 | N | 76.8 | Confident | 61.9 | Low | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.9 | 167.7 | -61.4 | -40.6 | 0 | 0 | 0 | 110 | L1732 E1733 A1735 F1788 K1802 V1803 | L1732-N1786 CarbonylContact C-O 3.57Å; L1732-N1786 WeakPolarHBondContact CA-O 3.45Å; E1733-N1786 HydrophobicContact CB-CB 4.23Å; E1733-N1786 PolarHBondContact N-O 3.19Å; E1733-N1786 PolarHBondContact O-N 3.15Å; E1733-N1786 PolarHBondContact OE2-ND2 3.47Å; A1735-N1786 WeakPolarHBondContact CB-ND2 3.37Å; N1786-F1788 HydrophobicContact CB-CD1 4.44Å; N1786-K1802 HydrophobicContact CB-CD 4.11Å; N1786-K1802 VanDerWaalsContact CG-NZ 3.32Å; N1786-K1802 PolarHBondContact ND2-NZ 2.67Å; N1786-K1802 VanDerWaalsContact ND2-NZ 3.2Å; N1786-K1802 PolarHBondContact OD1-NZ 2.98Å; N1786-V1803 CarbonylContact C-O 3.38Å; N1786-V1803 WeakPolarHBondContact CA-O 3.37Å |
| 1787 | V | 77.1 | Confident | 61.3 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.3 | 171.7 | -163.4 | 0 | 0 | 0 | 0 | 109.8 | W1651 M1722 L1730 L1731 L1732 V1803 L1805 | W1651-V1787 WeakPolarHBondContact CH2-O 3.4Å; M1722-V1787 HydrophobicContact SD-CG1 4.38Å; L1730-V1787 HydrophobicContact CB-CG1 4.49Å; L1731-V1787 WeakPolarHBondContact O-CA 3.35Å; L1732-V1787 HydrophobicContact CD2-CG2 4.08Å; V1787-V1803 HydrophobicContact CB-CB 4.32Å; V1787-V1803 PolarHBondContact N-O 3.43Å; V1787-V1803 PolarHBondContact O-N 3.3Å; V1787-L1805 HydrophobicContact CG2-CD1 3.59Å; V1787-L1805 HydrophobicContact CG2-CG 4.03Å |
| 1788 | F | 74 | Confident | 60.8 | Low | 38 Ų | 38 | 83.2 Ų | 83.2 | 17% | 0.167 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 158.6 | 175.9 | 55.4 | -92.3 | 0 | 0 | 0 | 112.2 | W1651 L1731 E1733 N1786 K1802 | W1651-F1788 HydrophobicContact CZ2-CB 4.34Å; L1731-F1788 HydrophobicContact CB-CD2 4.14Å; L1731-F1788 HydrophobicContact CB-CE2 3.8Å; L1731-F1788 HydrophobicContact CB-CZ 4.08Å; L1731-F1788 HydrophobicContact CD1-CD2 4.27Å; L1731-F1788 HydrophobicContact CD1-CE2 3.59Å; L1731-F1788 HydrophobicContact CD1-CZ 4.3Å; L1731-F1788 HydrophobicContact CG-CE2 4.35Å; L1731-F1788 PolarHBondContact N-O 2.8Å; L1731-F1788 PolarHBondContact O-N 3.01Å; L1731-F1788 VanDerWaalsContact O-N 3.1Å; E1733-F1788 HydrophobicContact CB-CE1 3.8Å; E1733-F1788 HydrophobicContact CB-CZ 4.36Å; N1786-F1788 HydrophobicContact CB-CD1 4.44Å; F1788-K1802 HydrophobicContact CB-CB 4.41Å |
| 1789 | A | 73.8 | Confident | 60.6 | Low | 16 Ų | 16 | 88.5 Ų | 88.5 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | W1651 D1728 L1730 D1791 | W1651-A1789 HydrophobicContact CB-CB 3.48Å; W1651-A1789 VanDerWaalsContact CB-CB 3.48Å; W1651-A1789 HydrophobicContact CD2-CB 3.72Å; W1651-A1789 HydrophobicContact CE3-CB 4.14Å; W1651-A1789 HydrophobicContact CG-CB 3.4Å; D1728-A1789 HydrophobicContact CB-CB 3.94Å; L1730-A1789 HydrophobicContact CD2-CB 4.44Å; A1789-D1791 VanDerWaalsContact C-N 3.28Å; A1789-D1791 PolarHBondContact O-N 2.89Å |
| 1790 | K | 66.3 | Low | 60.3 | Low | 83 Ų | 83 | 88.7 Ų | 88.7 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | trans | -73.3 | 72.4 | 179.3 | -169.6 | 180 | -175.3 | -177.8 | 0 | 111.7 | E1729 L1731 K1792 | E1729-K1790 HydrophobicContact CB-CB 4.23Å; E1729-K1790 HydrophobicContact CB-CD 4.11Å; E1729-K1790 HydrophobicContact CG-CD 4.08Å; E1729-K1790 WeakPolarHBondContact O-CB 3.29Å; E1729-K1790 PolarHBondContact O-N 2.85Å; E1729-K1790 WeakPolarHBondContact OE1-CD 3.28Å; E1729-K1790 IonicContact OE1-NZ 3.85Å; E1729-K1790 PolarHBondContact OE1-NZ 2.67Å; E1729-K1790 WeakPolarHBondContact OE2-CD 3.44Å; E1729-K1790 IonicContact OE2-NZ 3.5Å; E1729-K1790 PolarHBondContact OE2-NZ 3.08Å; L1731-K1790 HydrophobicContact CD1-CB 3.98Å; L1731-K1790 HydrophobicContact CD1-CG 3.97Å; L1731-K1790 HydrophobicContact CG-CB 4.14Å; L1731-K1790 HydrophobicContact CG-CG 4.36Å; K1790-K1792 PolarHBondContact O-N 3.3Å; K1790-K1792 VanDerWaalsContact O-N 3.16Å | ||
| 1791 | D | 58.6 | Low | 60.4 | Low | 122 Ų | 122 | 87.3 Ų | 87.3 | 65% | 0.652 | 41% | 0.408 | S | S | * | . | trans | -59.3 | 116.8 | 179.2 | -171.3 | -12.9 | 0 | 0 | 0 | 111.3 | A1789 Y1793 | A1789-D1791 VanDerWaalsContact C-N 3.28Å; A1789-D1791 PolarHBondContact O-N 2.89Å; D1791-Y1793 VanDerWaalsContact C-N 3.28Å; D1791-Y1793 PolarHBondContact O-N 3.41Å; D1791-Y1793 PolarHBondContact OD1-N 3.17Å | ||
| 1792 | K | 48.2 | Very low | 60.2 | Low | 168 Ų | 168 | 90.7 Ų | 90.7 | 73% | 0.73 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -76.7 | -9.2 | -177.7 | -66.7 | 178.2 | 179.5 | 173 | 0 | 113.2 | K1790 | K1790-K1792 PolarHBondContact O-N 3.3Å; K1790-K1792 VanDerWaalsContact O-N 3.16Å |
| 1793 | Y | 44.3 | Very low | 59.9 | Low | 181 Ų | 181 | 89 Ų | 89 | 71% | 0.71 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -145.9 | 83.6 | -172 | -63.8 | -83.2 | 0 | 0 | 0 | 115.2 | D1791 | D1791-Y1793 VanDerWaalsContact C-N 3.28Å; D1791-Y1793 PolarHBondContact O-N 3.41Å; D1791-Y1793 PolarHBondContact OD1-N 3.17Å |
| 1794 | R | 41.6 | Very low | 59.9 | Low | 212 Ų | 212 | 92.5 Ų | 92.5 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | trans | 128.4 | 104.4 | 155.5 | -72.2 | 168.1 | -177.1 | -153.5 | 3 | 113.1 | V1796 | R1794-V1796 PolarHBondContact O-N 3.32Å; R1794-V1796 VanDerWaalsContact O-N 3.1Å | ||
| 1795 | V | 35 | Very low | 59.7 | Low | 96 Ų | 96 | 93.1 Ų | 93.1 | 58% | 0.582 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -62.6 | -17.5 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 114.6 | R1797 R1798 | V1795-R1797 VanDerWaalsContact C-N 3.31Å; V1795-R1797 PolarHBondContact O-N 2.97Å; V1795-R1798 WeakPolarHBondContact O-CG 3.17Å |
| 1796 | V | 38.9 | Very low | 59.7 | Low | 141 Ų | 141 | 97.5 Ų | 97.5 | 86% | 0.855 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -81.8 | 6.3 | -167 | -165.2 | 0 | 0 | 0 | 0 | 114.5 | R1794 | R1794-V1796 PolarHBondContact O-N 3.32Å; R1794-V1796 VanDerWaalsContact O-N 3.1Å |
| 1797 | R | 42.4 | Very low | 59.6 | Low | 211 Ų | 211 | 97.5 Ų | 97.5 | 80% | 0.796 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -121.4 | 12.3 | -178.7 | -84.2 | -170 | 170.5 | -164 | -5.1 | 115.8 | V1795 N1799 | V1795-R1797 VanDerWaalsContact C-N 3.31Å; V1795-R1797 PolarHBondContact O-N 2.97Å; R1797-N1799 PolarHBondContact O-N 3.43Å |
| 1798 | R | 43.8 | Very low | 59.6 | Low | 181 Ų | 181 | 103.2 Ų | 103.2 | 68% | 0.683 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16 | -166.4 | -80.1 | 178 | 170.2 | 179.3 | -3.5 | 117.5 | V1795 | V1795-R1798 WeakPolarHBondContact O-CG 3.17Š|
| 1799 | N | 48.8 | Very low | 59.7 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 78% | 0.781 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -9.4 | -170.7 | -68.3 | 14.8 | 0 | 0 | 0 | 116.2 | R1797 | R1797-N1799 PolarHBondContact O-N 3.43Š|
| 1800 | V | 53.5 | Low | 59.6 | Low | 116 Ų | 116 | 103.9 Ų | 103.9 | 70% | 0.703 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -105.7 | -19.9 | -158.2 | -166.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1801 | L | 65.3 | Low | 59.2 | Low | 60 Ų | 60 | 101.4 Ų | 101.4 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -135.3 | 73.4 | -173.7 | -65.7 | 176.2 | 0 | 0 | 0 | 112.4 | W1651 A1686 F1687 | W1651-L1801 PolarHBondContact NE1-O 3.04Å; A1686-L1801 HydrophobicContact CB-CB 4.13Å; A1686-L1801 HydrophobicContact CB-CD2 4.22Å; F1687-L1801 HydrophobicContact CE1-CD2 4.15Å; F1687-L1801 HydrophobicContact CE2-CD2 4.09Å; F1687-L1801 HydrophobicContact CZ-CD2 3.53Å |
| 1802 | K | 71.8 | Confident | 59.2 | Low | 79 Ų | 79 | 99.7 Ų | 99.7 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | trans | -128.2 | 149.2 | 178.7 | 61.4 | 172.5 | -172.4 | 161.2 | 0 | 112.1 | N1786 F1788 | N1786-K1802 HydrophobicContact CB-CD 4.11Å; N1786-K1802 VanDerWaalsContact CG-NZ 3.32Å; N1786-K1802 PolarHBondContact ND2-NZ 2.67Å; N1786-K1802 VanDerWaalsContact ND2-NZ 3.2Å; N1786-K1802 PolarHBondContact OD1-NZ 2.98Å; F1788-K1802 HydrophobicContact CB-CB 4.41Å | ||
| 1803 | V | 73.3 | Confident | 59.3 | Low | 3 Ų | 3 | 100.2 Ų | 100.2 | 2% | 0.018 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 140.6 | 166.8 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | W1651 K1693 L1697 M1722 N1786 V1787 L1805 | W1651-V1803 HydrophobicContact CH2-CG2 3.87Å; W1651-V1803 HydrophobicContact CZ2-CG2 4.41Å; K1693-V1803 HydrophobicContact CD-CG1 4.15Å; L1697-V1803 HydrophobicContact CD1-CG1 4.34Å; M1722-V1803 HydrophobicContact CE-CG2 4.39Å; N1786-V1803 CarbonylContact C-O 3.38Å; N1786-V1803 WeakPolarHBondContact CA-O 3.37Å; V1787-V1803 HydrophobicContact CB-CB 4.32Å; V1787-V1803 PolarHBondContact N-O 3.43Å; V1787-V1803 PolarHBondContact O-N 3.3Å; V1803-L1805 HydrophobicContact CG1-CD2 4.22Å |
| 1804 | I | 73.1 | Confident | 59.1 | Low | 74 Ų | 74 | 97.4 Ų | 97.4 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.5 | 179.1 | -53.2 | 178.8 | 0 | 0 | 0 | 108.5 | T1784 | T1784-I1804 HydrophobicContact CG2-CG2 3.51Å |
| 1805 | L | 73.3 | Confident | 58.7 | Low | 17 Ų | 17 | 97.7 Ų | 97.7 | 9% | 0.089 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.1 | 178.4 | -57.4 | 178.6 | 0 | 0 | 0 | 110.5 | L1697 I1699 T1784 I1785 V1787 V1803 | L1697-L1805 HydrophobicContact CB-CD2 4.48Å; L1697-L1805 HydrophobicContact CD1-CD1 4.18Å; L1697-L1805 HydrophobicContact CD1-CD2 3.72Å; L1697-L1805 HydrophobicContact CD1-CG 4.47Å; L1697-L1805 HydrophobicContact CD2-CD1 4.49Å; I1699-L1805 HydrophobicContact CD1-CB 4.24Å; I1699-L1805 HydrophobicContact CD1-CD2 4.34Å; T1784-L1805 CarbonylContact C-O 3.59Å; T1784-L1805 VanDerWaalsContact CA-O 3.28Å; T1784-L1805 WeakPolarHBondContact CA-O 3.45Å; T1784-L1805 WeakPolarHBondContact CG2-O 2.99Å; I1785-L1805 PolarHBondContact N-O 2.77Å; I1785-L1805 PolarHBondContact O-N 2.78Å; V1787-L1805 HydrophobicContact CG2-CD1 3.59Å; V1787-L1805 HydrophobicContact CG2-CG 4.03Å; V1803-L1805 HydrophobicContact CG1-CD2 4.22Å |
| 1806 | K | 74.1 | Confident | 58.7 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.5 | -178 | -72.9 | 174.6 | 160.6 | -65.2 | 0 | 110 | E1736 E1782 I1783 T1784 | E1736-K1806 IonicContact OE2-NZ 3.28Å; E1736-K1806 PolarHBondContact OE2-NZ 3.01Å; E1782-K1806 VanDerWaalsContact OE1-CD 3.3Å; E1782-K1806 WeakPolarHBondContact OE1-CD 3.01Å; E1782-K1806 WeakPolarHBondContact OE1-CE 3.36Å; E1782-K1806 IonicContact OE1-NZ 3.34Å; E1782-K1806 PolarHBondContact OE1-NZ 3.17Å; I1783-K1806 CarbonylContact O-C 3.57Å; I1783-K1806 WeakPolarHBondContact O-CA 3.19Å; T1784-K1806 HydrophobicContact CG2-CG 4.03Å; T1784-K1806 PolarHBondContact OG1-NZ 2.83Å; T1784-K1806 VanDerWaalsContact OG1-NZ 3.09Å |
| 1807 | F | 74.9 | Confident | 58.5 | Low | 6 Ų | 6 | 96 Ų | 96 | 3% | 0.026 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149 | 175.4 | 69.2 | -87.3 | 0 | 0 | 0 | 113.4 | I1699 V1702 V1712 F1717 W1734 E1782 I1783 I1785 | I1699-F1807 HydrophobicContact CG2-CB 3.4Å; V1702-F1807 HydrophobicContact CG2-CD2 4.15Å; V1702-F1807 HydrophobicContact CG2-CE2 3.79Å; V1712-F1807 HydrophobicContact CG1-CE2 4.13Å; V1712-F1807 HydrophobicContact CG1-CZ 3.9Å; F1717-F1807 HydrophobicContact CD1-CE1 4.34Å; F1717-F1807 HydrophobicContact CE1-CE1 4.48Å; W1734-F1807 HydrophobicContact CZ3-CE1 4.4Å; W1734-F1807 HydrophobicContact CZ3-CZ 4.26Å; E1782-F1807 WeakPolarHBondContact CA-O 3.12Å; I1783-F1807 HydrophobicContact CB-CD1 4.05Å; I1783-F1807 HydrophobicContact CB-CD2 4.48Å; I1783-F1807 HydrophobicContact CB-CE1 3.61Å; I1783-F1807 HydrophobicContact CB-CE2 4.08Å; I1783-F1807 HydrophobicContact CB-CG 4.48Å; I1783-F1807 HydrophobicContact CB-CZ 3.63Å; I1783-F1807 HydrophobicContact CD1-CD2 4.47Å; I1783-F1807 HydrophobicContact CD1-CE1 4.4Å; I1783-F1807 HydrophobicContact CD1-CE2 3.56Å; I1783-F1807 HydrophobicContact CD1-CZ 3.52Å; I1783-F1807 HydrophobicContact CG1-CE2 4.37Å; I1783-F1807 HydrophobicContact CG1-CZ 4.18Å; I1783-F1807 HydrophobicContact CG2-CD1 4.28Å; I1783-F1807 HydrophobicContact CG2-CE1 3.48Å; I1783-F1807 VanDerWaalsContact CG2-CE1 3.48Å; I1783-F1807 HydrophobicContact CG2-CZ 3.66Å; I1783-F1807 PolarHBondContact N-O 3.35Å; I1783-F1807 PolarHBondContact O-N 2.79Å; I1785-F1807 HydrophobicContact CD1-CE1 3.87Å; I1785-F1807 HydrophobicContact CG1-CE1 4.33Å |
| 1808 | H | 76.7 | Confident | 58.2 | Low | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155.8 | -172.5 | -66.2 | -56.6 | 0 | 0 | 0 | 113.6 | P1701 V1702 D1781 | P1701-H1808 WeakPolarHBondContact CA-O 3.03Å; P1701-H1808 WeakPolarHBondContact CB-O 3.13Å; V1702-H1808 PolarHBondContact N-O 2.94Å; V1702-H1808 VanDerWaalsContact N-O 3.07Å; D1781-H1808 WeakPolarHBondContact O-CA 3.39Å |
| 1809 | I | 76.1 | Confident | 58 | Low | 2 Ų | 2 | 96.7 Ų | 96.7 | 1% | 0.01 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.7 | 177.7 | -48.7 | -170.8 | 0 | 0 | 0 | 109.4 | V1702 V1704 Y1772 T1780 D1781 I1783 | V1702-I1809 HydrophobicContact CB-CG1 4.49Å; V1702-I1809 HydrophobicContact CB-CG2 4.38Å; V1702-I1809 WeakPolarHBondContact O-CA 3.35Å; V1704-I1809 HydrophobicContact CG2-CG2 3.31Å; Y1772-I1809 HydrophobicContact CD1-CD1 3.89Å; Y1772-I1809 HydrophobicContact CD1-CG2 3.99Å; Y1772-I1809 HydrophobicContact CD2-CD1 3.4Å; Y1772-I1809 VanDerWaalsContact CD2-CD1 3.4Å; Y1772-I1809 HydrophobicContact CE1-CD1 3.87Å; Y1772-I1809 HydrophobicContact CE1-CG2 3.73Å; Y1772-I1809 HydrophobicContact CE2-CD1 3.37Å; Y1772-I1809 HydrophobicContact CG-CD1 3.66Å; T1780-I1809 WeakPolarHBondContact CA-O 3.39Å; D1781-I1809 HydrophobicContact CB-CB 4.03Å; D1781-I1809 HydrophobicContact CB-CD1 4.06Å; D1781-I1809 HydrophobicContact CB-CG1 4.23Å; D1781-I1809 PolarHBondContact N-O 3.42Å; D1781-I1809 PolarHBondContact O-N 2.96Å; I1783-I1809 HydrophobicContact CD1-CD1 3.59Å; I1783-I1809 HydrophobicContact CD1-CG1 4.33Å; I1783-I1809 HydrophobicContact CG1-CD1 4.08Å |
| 1810 | N | 71.9 | Confident | 57.8 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.9 | -175.4 | -66.4 | -16.4 | 0 | 0 | 0 | 111.1 | V1702 E1703 V1704 | V1702-N1810 PolarHBondContact O-N 3.13Å; E1703-N1810 WeakPolarHBondContact CA-O 3.21Å; V1704-N1810 PolarHBondContact N-O 3.28Å |
| 1811 | L | 57.5 | Low | 57.5 | Low | 31 Ų | 31 | 98.1 Ų | 98.1 | 16% | 0.162 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.6 | 179 | -88 | 157.8 | 0 | 0 | 0 | 113.2 | V1704 P1705 A1778 | V1704-L1811 HydrophobicContact CB-CD2 4.43Å; V1704-L1811 CarbonylContact O-C 3.59Å; V1704-L1811 WeakPolarHBondContact O-CA 3.41Å; P1705-L1811 WeakPolarHBondContact O-CD2 3.49Å; A1778-L1811 WeakPolarHBondContact O-CD1 3.47Å |
| 1812 | L | 58.9 | Low | 57 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.6 | 179.1 | -64.6 | 172 | 0 | 0 | 0 | 111.7 | E1703 V1704 | E1703-L1812 HydrophobicContact CB-CD1 4.26Å; E1703-L1812 HydrophobicContact CB-CG 4.48Å; V1704-L1812 PolarHBondContact O-N 2.84Å |
| 1813 | E | 49.8 | Very low | 56.4 | Low | 178 Ų | 178 | 98.5 Ų | 98.5 | 83% | 0.832 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 128.9 | 177.1 | -71.2 | -164.8 | 141.8 | 0 | 0 | 113.5 | ||
| 1814 | T | 41.6 | Very low | 55.6 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 117.8 | 171.5 | 51 | 0 | 0 | 0 | 0 | 111.9 | S1816 | T1814-S1816 PolarHBondContact O-N 2.7Š|
| 1815 | K | 33 | Very low | 55.1 | Low | 218 Ų | 218 | 101.3 Ų | 101.3 | 95% | 0.948 | 50% | 0.503 | S | S | * | . | trans | -71.9 | 88.8 | 179.9 | -66 | 177.1 | 179.6 | 173.9 | 0 | 113.1 | ||||
| 1816 | S | 34.6 | Very low | 54.7 | Low | 110 Ų | 110 | 102.3 Ų | 102.3 | 77% | 0.769 | 52% | 0.518 | S | S | * | . | trans | -155 | 143.9 | 164.9 | -163.8 | 0 | 0 | 0 | 0 | 115.3 | T1814 | T1814-S1816 PolarHBondContact O-N 2.7Š| ||
| 1817 | S | 35.1 | Very low | 54.6 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | trans | 42.1 | 109.3 | 158.7 | -158.5 | 0 | 0 | 0 | 0 | 121.2 | R1819 | S1817-R1819 PolarHBondContact O-N 3Š| ||
| 1818 | K | 34.5 | Very low | 54.7 | Low | 210 Ų | 210 | 100.7 Ų | 100.7 | 91% | 0.913 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -76.9 | 92.3 | 162 | -63.8 | 176.5 | 179.9 | 179 | 0 | 111.3 | ||
| 1819 | R | 40.4 | Very low | 54.9 | Low | 197 Ų | 197 | 97 Ų | 97 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | trans | -160.8 | -26.8 | 160.3 | -133.8 | 163.2 | -100 | -150.9 | -3.3 | 119.8 | S1817 K1821 | S1817-R1819 PolarHBondContact O-N 3Å; R1819-K1821 PolarHBondContact O-N 3.43Å | ||
| 1820 | D | 44.5 | Very low | 55 | Low | 124 Ų | 124 | 97 Ų | 97 | 66% | 0.663 | 50% | 0.5 | S | S | * | . | trans | -69.6 | 124.1 | -165.8 | -58.4 | -21.1 | 0 | 0 | 0 | 113.6 | ||||
| 1821 | K | 46.7 | Very low | 55.3 | Low | 167 Ų | 167 | 94.7 Ų | 94.7 | 73% | 0.726 | 49% | 0.488 | S | S | * | . | trans | -107.7 | 118.2 | 175.5 | -81.2 | -173.9 | 174.6 | -177.3 | 0 | 111.1 | R1819 | R1819-K1821 PolarHBondContact O-N 3.43Š| ||
| 1822 | I | 56.2 | Low | 56.2 | Low | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126 | 167.7 | -57.2 | 173.3 | 0 | 0 | 0 | 108.8 | L1919 Q1921 | I1822-L1919 HydrophobicContact CG1-CB 4.36Å; I1822-L1919 HydrophobicContact CG1-CD1 4.25Å; I1822-Q1921 HydrophobicContact CG2-CB 3.98Å |
| 1823 | L | 57.3 | Low | 57 | Low | 50 Ų | 50 | 90.7 Ų | 90.7 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108.7 | 176.4 | -70 | 162.4 | 0 | 0 | 0 | 108.8 | V1825 Q1918 L1919 Y1920 Q1921 | L1823-V1825 WeakPolarHBondContact O-CG2 3.3Å; L1823-V1825 PolarHBondContact O-N 3.39Å; L1823-Q1918 HydrophobicContact CD1-CB 4.47Å; L1823-L1919 PolarHBondContact N-O 2.88Å; L1823-Y1920 HydrophobicContact CD1-CE1 4.24Å; L1823-Q1921 PolarHBondContact O-N 3.44Å |
| 1824 | N | 58 | Low | 58.4 | Low | 104 Ų | 104 | 85.1 Ų | 85.1 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.5 | 171 | -89.2 | -71.7 | 0 | 0 | 0 | 109.5 | Q1921 | N1824-Q1921 PolarHBondContact ND2-OE1 2.89Å; N1824-Q1921 PolarHBondContact OD1-OE1 3.07Å |
| 1825 | V | 62.2 | Low | 60.3 | Low | 31 Ų | 31 | 87.7 Ų | 87.7 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -31 | -168.1 | -159.8 | 0 | 0 | 0 | 0 | 112.5 | L1823 Y1920 Q1921 F1922 | L1823-V1825 WeakPolarHBondContact O-CG2 3.3Å; L1823-V1825 PolarHBondContact O-N 3.39Å; V1825-Y1920 HydrophobicContact CG2-CD1 3.72Å; V1825-Y1920 HydrophobicContact CG2-CG 4.26Å; V1825-Q1921 PolarHBondContact N-O 2.83Å; V1825-F1922 HydrophobicContact CB-CD1 3.87Å; V1825-F1922 HydrophobicContact CB-CE1 3.49Å; V1825-F1922 VanDerWaalsContact CB-CE1 3.49Å; V1825-F1922 HydrophobicContact CB-CZ 3.84Å; V1825-F1922 HydrophobicContact CG1-CD1 4.35Å; V1825-F1922 HydrophobicContact CG1-CE1 3.55Å; V1825-F1922 HydrophobicContact CG1-CZ 3.92Å; V1825-F1922 HydrophobicContact CG2-CD1 4.43Å; V1825-F1922 HydrophobicContact CG2-CE1 3.94Å; V1825-F1922 HydrophobicContact CG2-CE2 4.09Å; V1825-F1922 HydrophobicContact CG2-CZ 3.74Å |
| 1826 | G | 65 | Low | 62.5 | Low | 39 Ų | 39 | 81.3 Ų | 81.3 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | -153.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1922 Q1923 | G1826-F1922 WeakPolarHBondContact O-CA 3.09Å; G1826-Q1923 PolarHBondContact O-N 2.86Å |
| 1827 | S | 72.4 | Confident | 64.8 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.1 | 179.8 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | Q1923 | S1827-Q1923 CarbonylContact C-O 3.46Å; S1827-Q1923 WeakPolarHBondContact CA-O 3.19Å; S1827-Q1923 WeakPolarHBondContact CB-O 3.37Å |
| 1828 | I | 76.7 | Confident | 66.8 | Low | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.7 | 175.4 | -53.2 | 174.1 | 0 | 0 | 0 | 108 | V1830 R1836 L1894 L1905 F1922 Q1923 V1924 I1925 | I1828-V1830 HydrophobicContact CG2-CG2 4.27Å; I1828-R1836 HydrophobicContact CG2-CG 4.37Å; I1828-L1894 HydrophobicContact CB-CD1 4.47Å; I1828-L1894 HydrophobicContact CD1-CD1 4.1Å; I1828-L1894 HydrophobicContact CG2-CD1 3.73Å; I1828-L1905 HydrophobicContact CD1-CD2 4.04Å; I1828-F1922 HydrophobicContact CD1-CB 4.33Å; I1828-F1922 HydrophobicContact CD1-CD1 4.26Å; I1828-F1922 HydrophobicContact CD1-CG 4.4Å; I1828-F1922 HydrophobicContact CG1-CD1 4.45Å; I1828-Q1923 PolarHBondContact N-O 3.26Å; I1828-V1924 WeakPolarHBondContact O-CA 3.24Å; I1828-I1925 PolarHBondContact O-N 2.84Å |
| 1829 | R | 79.6 | Confident | 68.5 | Low | 41 Ų | 41 | 66.5 Ų | 66.5 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.1 | -179.2 | -83.3 | 164.7 | 174.1 | -83.7 | 0.8 | 110.8 | N164 S167 R1836 I1925 E1927 | N164-R1829 PolarHBondContact O-NH2 3.26Å; N164-R1829 VanDerWaalsContact O-NH2 3.11Å; N164-R1829 PolarHBondContact OD1-NE 3.18Å; N164-R1829 PolarHBondContact OD1-NH2 3.44Å; S167-R1829 PolarHBondContact OG-NH1 3.16Å; S167-R1829 PolarHBondContact OG-NH2 3Å; R1829-R1836 VanDerWaalsContact O-CD 3.3Å; R1829-R1836 WeakPolarHBondContact O-CD 3.35Å; R1829-R1836 WeakPolarHBondContact O-CG 3.11Å; R1829-I1925 WeakPolarHBondContact CA-O 3.2Å; R1829-I1925 HydrophobicContact CG-CB 4.19Å; R1829-I1925 HydrophobicContact CG-CD1 4.43Å; R1829-E1927 HydrophobicContact CB-CG 4.29Å; R1829-E1927 WeakPolarHBondContact CB-OE1 3.37Å; R1829-E1927 WeakPolarHBondContact CB-OE2 3.41Å; R1829-E1927 WeakPolarHBondContact CD-OE1 3.06Å; R1829-E1927 HydrophobicContact CG-CG 4.23Å; R1829-E1927 VanDerWaalsContact CG-OE1 3.28Å; R1829-E1927 WeakPolarHBondContact CG-OE1 3.43Å; R1829-E1927 IonicContact CZ-OE1 3.3Å; R1829-E1927 IonicContact NE-OE1 2.68Å; R1829-E1927 IonicContact NH1-OE1 3.16Å; R1829-E1927 PolarHBondContact NH1-OE1 2.98Å |
| 1830 | V | 79.1 | Confident | 69.8 | Low | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 114.6 | -175.5 | -172 | 0 | 0 | 0 | 0 | 109.9 | I1828 R1836 L1894 V1924 I1925 I1926 E1927 | I1828-V1830 HydrophobicContact CG2-CG2 4.27Å; V1830-R1836 HydrophobicContact CB-CB 4.31Å; V1830-R1836 HydrophobicContact CG1-CB 4.05Å; V1830-R1836 HydrophobicContact CG2-CB 3.77Å; V1830-R1836 HydrophobicContact CG2-CG 4.27Å; V1830-L1894 HydrophobicContact CG2-CB 4.42Å; V1830-L1894 HydrophobicContact CG2-CD1 4.45Å; V1830-V1924 HydrophobicContact CG2-CG1 4.2Å; V1830-I1925 PolarHBondContact N-O 2.78Å; V1830-I1926 CarbonylContact O-C 3.49Å; V1830-I1926 VanDerWaalsContact O-CA 3.28Å; V1830-I1926 WeakPolarHBondContact O-CA 3.35Å; V1830-E1927 PolarHBondContact O-N 3.05Å |
| 1831 | V | 77.6 | Confident | 70.8 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 138.8 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 111 | Q1834 E1927 L1929 | V1831-Q1834 HydrophobicContact CB-CB 4.06Å; V1831-Q1834 HydrophobicContact CB-CG 3.97Å; V1831-Q1834 HydrophobicContact CG1-CG 3.93Å; V1831-Q1834 WeakPolarHBondContact O-CA 3.47Å; V1831-Q1834 VanDerWaalsContact O-CB 3.26Å; V1831-Q1834 WeakPolarHBondContact O-CB 3.25Å; V1831-Q1834 PolarHBondContact O-N 2.98Å; V1831-E1927 CarbonylContact C-O 3.54Å; V1831-E1927 WeakPolarHBondContact CA-O 3.16Å; V1831-E1927 HydrophobicContact CG2-CB 4.15Å; V1831-L1929 HydrophobicContact CG1-CB 3.98Å; V1831-L1929 HydrophobicContact CG1-CD1 3.46Å; V1831-L1929 VanDerWaalsContact CG1-CD1 3.46Å; V1831-L1929 HydrophobicContact CG1-CG 4.32Å |
| 1832 | Q | 77.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 133.9 | -174.4 | -171.5 | -173.5 | 10.3 | 0 | 0 | 112.6 | L471 Y472 Q1834 G1898 L1900 I1926 E1927 L1929 F2022 | L471-Q1832 PolarHBondContact O-OE1 2.88Å; Y472-Q1832 PolarHBondContact O-NE2 2.93Å; Y472-Q1832 PolarHBondContact O-OE1 2.68Å; Q1832-Q1834 PolarHBondContact O-N 3.5Å; Q1832-Q1834 VanDerWaalsContact O-N 3.1Å; Q1832-G1898 PolarHBondContact NE2-O 2.95Å; Q1832-L1900 HydrophobicContact CB-CD2 4.02Å; Q1832-L1900 HydrophobicContact CG-CD2 3.72Å; Q1832-I1926 HydrophobicContact CB-CG2 3.94Å; Q1832-I1926 HydrophobicContact CG-CG2 4.28Å; Q1832-E1927 PolarHBondContact N-O 3.4Å; Q1832-L1929 HydrophobicContact CB-CB 4.37Å; Q1832-F2022 HydrophobicContact CB-CE1 4.34Å; Q1832-F2022 HydrophobicContact CG-CD1 4.15Å; Q1832-F2022 HydrophobicContact CG-CE1 3.55Å; Q1832-F2022 HydrophobicContact CG-CZ 4.34Å |
| 1833 | G | 74.6 | Confident | 72 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -4.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1896 | G1833-S1896 WeakPolarHBondContact CA-O 3.41Å; G1833-S1896 PolarHBondContact N-OG 3.28Å; G1833-S1896 VanDerWaalsContact N-OG 3.16Å |
| 1834 | Q | 79.2 | Confident | 71.9 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | trans | -99.7 | -180 | 179.1 | -55.1 | -64.2 | -29.3 | 0 | 0 | 111.5 | V1831 Q1832 S1896 L1929 | V1831-Q1834 HydrophobicContact CB-CB 4.06Å; V1831-Q1834 HydrophobicContact CB-CG 3.97Å; V1831-Q1834 HydrophobicContact CG1-CG 3.93Å; V1831-Q1834 WeakPolarHBondContact O-CA 3.47Å; V1831-Q1834 VanDerWaalsContact O-CB 3.26Å; V1831-Q1834 WeakPolarHBondContact O-CB 3.25Å; V1831-Q1834 PolarHBondContact O-N 2.98Å; Q1832-Q1834 PolarHBondContact O-N 3.5Å; Q1832-Q1834 VanDerWaalsContact O-N 3.1Å; Q1834-S1896 PolarHBondContact O-N 3.02Å; Q1834-L1929 HydrophobicContact CG-CD1 4.33Å | ||
| 1835 | R | 81.3 | Confident | 71.5 | Confident | 177 Ų | 177 | 56.8 Ų | 56.8 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.6 | -174.1 | 60.4 | -175.8 | 170.8 | 179.8 | -4.2 | 112.4 | T1893 L1894 I1895 | R1835-T1893 HydrophobicContact CB-CG2 3.95Å; R1835-L1894 CarbonylContact C-O 3.45Å; R1835-L1894 VanDerWaalsContact CA-O 3.25Å; R1835-L1894 WeakPolarHBondContact CA-O 3.41Å; R1835-I1895 HydrophobicContact CB-CG1 3.92Å |
| 1836 | R | 80.7 | Confident | 70.5 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 32% | 0.317 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.5 | -177.2 | -170.9 | 77 | -179 | -156.2 | -2.1 | 110.7 | E176 I1828 R1829 V1830 T1893 L1894 | E176-R1836 IonicContact OE1-NH1 2.63Å; E176-R1836 IonicContact OE2-NH1 2.75Å; I1828-R1836 HydrophobicContact CG2-CG 4.37Å; R1829-R1836 VanDerWaalsContact O-CD 3.3Å; R1829-R1836 WeakPolarHBondContact O-CD 3.35Å; R1829-R1836 WeakPolarHBondContact O-CG 3.11Å; V1830-R1836 HydrophobicContact CB-CB 4.31Å; V1830-R1836 HydrophobicContact CG1-CB 4.05Å; V1830-R1836 HydrophobicContact CG2-CB 3.77Å; V1830-R1836 HydrophobicContact CG2-CG 4.27Å; R1836-T1893 CarbonylContact O-C 3.54Å; R1836-T1893 WeakPolarHBondContact O-CA 3.25Å; R1836-L1894 PolarHBondContact N-O 2.99Å; R1836-L1894 PolarHBondContact O-N 3.36Å |
| 1837 | L | 81.8 | Confident | 69.7 | Low | 67 Ų | 67 | 64.9 Ų | 64.9 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134.9 | 175 | -175.1 | 77.1 | 0 | 0 | 0 | 110.8 | K1890 I1892 | L1837-K1890 HydrophobicContact CD1-CB 4.01Å; L1837-K1890 VanDerWaalsContact CD1-O 3.31Å; L1837-K1890 WeakPolarHBondContact CD1-O 3.39Å; L1837-K1890 HydrophobicContact CD2-CB 3.88Å; L1837-K1890 HydrophobicContact CD2-CD 3.95Å; L1837-K1890 HydrophobicContact CD2-CG 3.92Å; L1837-K1890 HydrophobicContact CG-CB 4.49Å; L1837-I1892 WeakPolarHBondContact CD1-O 3.26Å |
| 1838 | I | 76.9 | Confident | 68.3 | Low | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | trans | -89.4 | 133.2 | 167.2 | -54.7 | -173.4 | 0 | 0 | 0 | 109.1 | L1868 M1887 I1892 L1894 | I1838-L1868 HydrophobicContact CD1-CD1 3.89Å; I1838-L1868 HydrophobicContact CD1-CG 4.46Å; I1838-M1887 HydrophobicContact CG2-CG 4.3Å; I1838-M1887 HydrophobicContact CG2-SD 3.96Å; I1838-I1892 HydrophobicContact CB-CB 4.41Å; I1838-I1892 HydrophobicContact CB-CG2 4.11Å; I1838-I1892 HydrophobicContact CD1-CG2 3.84Å; I1838-I1892 HydrophobicContact CG1-CG2 4.13Å; I1838-I1892 PolarHBondContact N-O 3.19Å; I1838-L1894 HydrophobicContact CD1-CD1 3.74Å; I1838-L1894 HydrophobicContact CD1-CG 3.87Å; I1838-L1894 HydrophobicContact CG1-CD1 3.76Å; I1838-L1894 HydrophobicContact CG1-CG 4.03Å | ||
| 1839 | S | 71.5 | Confident | 66.4 | Low | 30 Ų | 30 | 76 Ų | 76 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | trans | -127.9 | 166.5 | 175.9 | 84.4 | 0 | 0 | 0 | 0 | 112.3 | K1841 D1842 | S1839-K1841 PolarHBondContact O-N 2.93Å; S1839-K1841 VanDerWaalsContact O-N 3.08Å; S1839-K1841 PolarHBondContact OG-N 3.33Å; S1839-D1842 VanDerWaalsContact CA-OD2 3.31Å; S1839-D1842 WeakPolarHBondContact CA-OD2 3.3Å; S1839-D1842 VanDerWaalsContact CB-OD2 3.27Å; S1839-D1842 WeakPolarHBondContact CB-OD2 3.45Å; S1839-D1842 PolarHBondContact N-OD2 2.84Å; S1839-D1842 WeakPolarHBondContact O-CB 3.32Å; S1839-D1842 PolarHBondContact O-N 2.86Å; S1839-D1842 VanDerWaalsContact O-OD2 3.08Å; S1839-D1842 PolarHBondContact OG-OD2 2.76Å | ||
| 1840 | K | 67.7 | Low | 64.3 | Low | 115 Ų | 115 | 79.8 Ų | 79.8 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -59.3 | -19.3 | 174.2 | -178.5 | 165.4 | 175 | 168.6 | 0 | 114 | D1842 A1844 E1884 | K1840-D1842 VanDerWaalsContact C-N 3.32Å; K1840-A1844 PolarHBondContact O-N 2.93Å; K1840-E1884 VanDerWaalsContact CE-OE1 3.22Å; K1840-E1884 WeakPolarHBondContact CE-OE1 3.44Å; K1840-E1884 IonicContact NZ-OE1 2.66Å; K1840-E1884 PolarHBondContact NZ-OE1 2.8Å |
| 1841 | K | 64.9 | Low | 62.6 | Low | 188 Ų | 188 | 91.7 Ų | 91.7 | 82% | 0.817 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -69.2 | -31.6 | 173.3 | -72.4 | -169.3 | 173.3 | -170.3 | 0 | 112.5 | S1839 V1843 | S1839-K1841 PolarHBondContact O-N 2.93Å; S1839-K1841 VanDerWaalsContact O-N 3.08Å; S1839-K1841 PolarHBondContact OG-N 3.33Å; K1841-V1843 PolarHBondContact O-N 2.92Å |
| 1842 | D | 65.5 | Low | 61.1 | Low | 60 Ų | 60 | 93.8 Ų | 93.8 | 32% | 0.321 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -79.2 | -7.4 | -174.1 | -47.6 | -75.1 | 0 | 0 | 0 | 112.3 | S1839 K1840 F1922 | S1839-D1842 VanDerWaalsContact CA-OD2 3.31Å; S1839-D1842 WeakPolarHBondContact CA-OD2 3.3Å; S1839-D1842 VanDerWaalsContact CB-OD2 3.27Å; S1839-D1842 WeakPolarHBondContact CB-OD2 3.45Å; S1839-D1842 PolarHBondContact N-OD2 2.84Å; S1839-D1842 WeakPolarHBondContact O-CB 3.32Å; S1839-D1842 PolarHBondContact O-N 2.86Å; S1839-D1842 VanDerWaalsContact O-OD2 3.08Å; S1839-D1842 PolarHBondContact OG-OD2 2.76Å; K1840-D1842 VanDerWaalsContact C-N 3.32Å; D1842-F1922 WeakPolarHBondContact O-CE1 3.3Å |
| 1843 | V | 62.8 | Low | 59.7 | Low | 15 Ų | 15 | 103 Ų | 103 | 9% | 0.091 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -122.5 | -4.8 | -173.9 | -179.4 | 0 | 0 | 0 | 0 | 113 | K1841 H1845 Y1857 M1887 F1922 | K1841-V1843 PolarHBondContact O-N 2.92Å; V1843-H1845 PolarHBondContact O-N 3.48Å; V1843-Y1857 HydrophobicContact CG1-CE1 4.04Å; V1843-M1887 HydrophobicContact CB-SD 4.45Å; V1843-M1887 HydrophobicContact CG1-CE 4.43Å; V1843-M1887 HydrophobicContact CG2-CE 4.42Å; V1843-M1887 HydrophobicContact CG2-SD 3.74Å; V1843-F1922 HydrophobicContact CB-CZ 4.4Å; V1843-F1922 HydrophobicContact CG1-CZ 4.19Å; V1843-F1922 HydrophobicContact CG2-CE1 4.03Å; V1843-F1922 HydrophobicContact CG2-CZ 3.93Å |
| 1844 | A | 53.7 | Low | 58.9 | Low | 65 Ų | 65 | 108.8 Ų | 108.8 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | trans | -81.3 | 108.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | K1840 | K1840-A1844 PolarHBondContact O-N 2.93Š| ||
| 1845 | H | 51.3 | Low | 58.3 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 43% | 0.431 | 54% | 0.538 | S | S | . | . | trans | -97.3 | 118.9 | 179.4 | -149.3 | -42.1 | 0 | 0 | 0 | 112 | V1843 G1847 | V1843-H1845 PolarHBondContact O-N 3.48Å; H1845-G1847 PolarHBondContact O-N 3.41Å | ||
| 1846 | N | 41.4 | Very low | 57.9 | Low | 175 Ų | 175 | 102.5 Ų | 102.5 | 94% | 0.936 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 18.3 | -171.5 | -77.8 | -21.8 | 0 | 0 | 0 | 117.2 | ||
| 1847 | G | 47.2 | Very low | 57.9 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 67% | 0.67 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -11 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | H1845 | H1845-G1847 PolarHBondContact O-N 3.41Š|
| 1848 | V | 43.6 | Very low | 57.9 | Low | 120 Ų | 120 | 104 Ų | 104 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | trans | -112.9 | 100.2 | -171.2 | -175 | 0 | 0 | 0 | 0 | 111.2 | T1850 | V1848-T1850 PolarHBondContact O-N 3.19Š| ||
| 1849 | Q | 36.9 | Very low | 58.2 | Low | 183 Ų | 183 | 105 Ų | 105 | 86% | 0.855 | 54% | 0.538 | S | S | * | . | trans | -75.8 | 108.8 | 172.7 | -75.4 | -171.9 | -11.8 | 0 | 0 | 111.6 | ||||
| 1850 | T | 34.6 | Very low | 58.5 | Low | 121 Ų | 121 | 107.3 Ų | 107.3 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 45 | 107.9 | 143.5 | 57.6 | 0 | 0 | 0 | 0 | 119 | V1848 | V1848-T1850 PolarHBondContact O-N 3.19Š|
| 1851 | R | 44.3 | Very low | 58.8 | Low | 251 Ų | 251 | 106 Ų | 106 | 95% | 0.947 | 55% | 0.547 | S | S | * | . | trans | -166.6 | -25.8 | 135.1 | -114.5 | 168.2 | -168.3 | -157.4 | 1.1 | 118.1 | ||||
| 1852 | L | 45 | Very low | 59.3 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 34% | 0.335 | 52% | 0.522 | S | S | . | . | trans | -84.8 | 129.3 | -178.7 | -65.4 | 173.2 | 0 | 0 | 0 | 111 | L1855 D1911 P1912 L1913 | L1852-L1855 HydrophobicContact CB-CD1 4.34Å; L1852-L1855 HydrophobicContact CB-CG 4.32Å; L1852-D1911 HydrophobicContact CD1-CB 4.4Å; L1852-P1912 HydrophobicContact CD2-CG 3.91Å; L1852-L1913 HydrophobicContact CD2-CD1 4.3Å | ||
| 1853 | K | 49.2 | Very low | 59.7 | Low | 194 Ų | 194 | 97.3 Ų | 97.3 | 84% | 0.843 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -109.6 | 0.8 | -171.6 | -138.3 | -173.1 | -176.6 | -168.3 | 0 | 114.7 | ||
| 1854 | N | 57.7 | Low | 59.9 | Low | 153 Ų | 153 | 102.5 Ų | 102.5 | 82% | 0.818 | 54% | 0.536 | S | S | * | . | trans | -142.5 | 67.8 | -179 | -80.8 | -16.8 | 0 | 0 | 0 | 109 | ||||
| 1855 | L | 65.6 | Low | 60.6 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 17% | 0.173 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 121.3 | 174.5 | -88.4 | 153.4 | 0 | 0 | 0 | 110.3 | L1852 Y1857 E1884 T1909 | L1852-L1855 HydrophobicContact CB-CD1 4.34Å; L1852-L1855 HydrophobicContact CB-CG 4.32Å; L1855-Y1857 HydrophobicContact CB-CE2 4.18Å; L1855-E1884 PolarHBondContact O-N 2.92Å; L1855-E1884 VanDerWaalsContact O-N 3.13Å; L1855-T1909 HydrophobicContact CD2-CG2 4.06Å |
| 1856 | S | 73.3 | Confident | 61.9 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.8 | 169.8 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1857 | Y | 80.2 | Confident | 63.8 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 6% | 0.055 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.6 | 175.8 | -61.3 | -93.6 | 0 | 0 | 0 | 107.9 | V1843 L1855 S1881 F1882 E1884 M1887 L1907 T1909 | V1843-Y1857 HydrophobicContact CG1-CE1 4.04Å; L1855-Y1857 HydrophobicContact CB-CE2 4.18Å; Y1857-S1881 CarbonylContact O-C 3.52Å; Y1857-S1881 WeakPolarHBondContact O-CA 3.47Å; Y1857-S1881 VanDerWaalsContact O-CB 3.27Å; Y1857-S1881 WeakPolarHBondContact O-CB 3.38Å; Y1857-F1882 HydrophobicContact CD2-CD2 4.12Å; Y1857-F1882 AromaticContact CD2-CE2 3.97Å; Y1857-F1882 HydrophobicContact CD2-CE2 3.97Å; Y1857-F1882 HydrophobicContact CG-CD2 4.33Å; Y1857-F1882 AromaticContact CG-CE2 3.88Å; Y1857-F1882 HydrophobicContact CG-CE2 3.88Å; Y1857-F1882 HydrophobicContact CG-CZ 4.47Å; Y1857-F1882 PolarHBondContact N-O 3.19Å; Y1857-F1882 PolarHBondContact O-N 3.1Å; Y1857-E1884 HydrophobicContact CE2-CB 4.36Å; Y1857-M1887 HydrophobicContact CD2-CE 3.83Å; Y1857-M1887 HydrophobicContact CE2-CE 3.38Å; Y1857-L1907 HydrophobicContact CD1-CB 4.38Å; Y1857-L1907 HydrophobicContact CD1-CD1 3.96Å; Y1857-L1907 HydrophobicContact CG-CD1 4.4Å; Y1857-T1909 HydrophobicContact CD1-CG2 3.53Å; Y1857-T1909 HydrophobicContact CE1-CG2 3.68Å; Y1857-T1909 HydrophobicContact CG-CG2 4.12Å |
| 1858 | R | 83.6 | Confident | 65.5 | Low | 167 Ų | 167 | 87.9 Ų | 87.9 | 63% | 0.63 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.3 | 169.8 | 178.4 | -177 | -179.3 | -176.3 | 2.1 | 109.1 | V1860 L1907 S1908 | R1858-V1860 PolarHBondContact O-N 3.13Å; R1858-L1907 CarbonylContact O-C 3.52Å; R1858-L1907 VanDerWaalsContact O-CA 3.32Å; R1858-L1907 WeakPolarHBondContact O-CA 3.44Å; R1858-S1908 PolarHBondContact N-O 2.95Å; R1858-S1908 PolarHBondContact O-N 2.96Å |
| 1859 | V | 82.2 | Confident | 67.4 | Low | 24 Ų | 24 | 82.8 Ų | 82.8 | 15% | 0.145 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.3 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | L1862 V1879 D1880 F1882 L1907 | V1859-L1862 HydrophobicContact CG1-CD1 4.05Å; V1859-L1862 HydrophobicContact CG1-CG 3.81Å; V1859-V1879 WeakPolarHBondContact CG2-O 3.4Å; V1859-D1880 PolarHBondContact N-O 3.35Å; V1859-F1882 HydrophobicContact CG2-CE1 4.3Å; V1859-L1907 HydrophobicContact CB-CD2 4.44Å; V1859-L1907 HydrophobicContact CG2-CD2 3.94Å |
| 1860 | V | 78.4 | Confident | 69.5 | Low | 80 Ų | 80 | 76.8 Ų | 76.8 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -34.6 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | R1858 L1906 S1908 | R1858-V1860 PolarHBondContact O-N 3.13Å; V1860-L1906 HydrophobicContact CB-CB 4.34Å; V1860-L1906 HydrophobicContact CB-CD2 4.2Å; V1860-L1906 HydrophobicContact CB-CG 4.44Å; V1860-L1906 WeakPolarHBondContact CB-O 3.43Å; V1860-L1906 HydrophobicContact CG1-CD2 4Å; V1860-L1906 PolarHBondContact N-O 2.88Å; V1860-S1908 WeakPolarHBondContact CG2-OG 3.39Å |
| 1861 | Q | 74.2 | Confident | 70.9 | Confident | 88 Ų | 88 | 73.7 Ų | 73.7 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.7 | 174.9 | -172.4 | 175.7 | 0.6 | 0 | 0 | 109.5 | L1905 L1906 | Q1861-L1905 WeakPolarHBondContact O-CA 3.48Å; Q1861-L1906 HydrophobicContact CB-CB 3.74Å; Q1861-L1906 PolarHBondContact N-O 3.42Å; Q1861-L1906 PolarHBondContact O-N 3.14Å |
| 1862 | L | 73.7 | Confident | 71.7 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | trans | -109.3 | 156.1 | 162.3 | -84.9 | 158.9 | 0 | 0 | 0 | 108.9 | V1859 V1866 L1868 L1894 L1905 | V1859-L1862 HydrophobicContact CG1-CD1 4.05Å; V1859-L1862 HydrophobicContact CG1-CG 3.81Å; L1862-V1866 HydrophobicContact CD2-CG1 4.42Å; L1862-L1868 HydrophobicContact CD1-CB 4.41Å; L1862-L1868 HydrophobicContact CD2-CB 4.04Å; L1862-L1868 HydrophobicContact CD2-CD1 4.4Å; L1862-L1894 HydrophobicContact CD2-CD2 4.48Å; L1862-L1905 HydrophobicContact CD2-CD1 3.74Å; L1862-L1905 HydrophobicContact CG-CD1 4.34Å | ||
| 1863 | P | 73.9 | Confident | 72.2 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.045 | 37% | 0.365 | C | S | . | . | trans | -60.6 | 143.8 | 160.8 | -13.4 | 26.3 | 0 | 0 | 0 | 110.6 | V1866 V1924 | P1863-V1866 HydrophobicContact CB-CB 3.94Å; P1863-V1866 HydrophobicContact CB-CG2 3.79Å; P1863-V1866 HydrophobicContact CG-CB 3.95Å; P1863-V1866 HydrophobicContact CG-CG1 4.33Å; P1863-V1866 HydrophobicContact CG-CG2 3.99Å; P1863-V1866 PolarHBondContact O-N 2.69Å; P1863-V1924 HydrophobicContact CG-CB 3.58Å; P1863-V1924 HydrophobicContact CG-CG1 4.13Å; P1863-V1924 HydrophobicContact CG-CG2 3.66Å | ||
| 1864 | D | 68.2 | Low | 72.2 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 66% | 0.663 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 140.3 | 165.8 | -76.1 | -56.6 | 0 | 0 | 0 | 110 | V1866 E1901 | D1864-V1866 VanDerWaalsContact C-N 3.28Å; D1864-V1866 PolarHBondContact O-N 3.14Å; D1864-E1901 WeakPolarHBondContact CB-OE2 3.1Å; D1864-E1901 WeakPolarHBondContact O-CB 3.4Å |
| 1865 | G | 67.8 | Low | 71.9 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 13 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | S1897 | G1865-S1897 VanDerWaalsContact C-OG 3.25Å; G1865-S1897 WeakPolarHBondContact CA-OG 3.45Å; G1865-S1897 VanDerWaalsContact O-CB 3.25Å; G1865-S1897 WeakPolarHBondContact O-CB 3.31Å; G1865-S1897 PolarHBondContact O-N 2.76Å; G1865-S1897 PolarHBondContact O-OG 2.83Å |
| 1866 | V | 78.5 | Confident | 71.5 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.4 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L1862 P1863 D1864 L1894 I1895 V1924 I1926 | L1862-V1866 HydrophobicContact CD2-CG1 4.42Å; P1863-V1866 HydrophobicContact CB-CB 3.94Å; P1863-V1866 HydrophobicContact CB-CG2 3.79Å; P1863-V1866 HydrophobicContact CG-CB 3.95Å; P1863-V1866 HydrophobicContact CG-CG1 4.33Å; P1863-V1866 HydrophobicContact CG-CG2 3.99Å; P1863-V1866 PolarHBondContact O-N 2.69Å; D1864-V1866 VanDerWaalsContact C-N 3.28Å; D1864-V1866 PolarHBondContact O-N 3.14Å; V1866-L1894 HydrophobicContact CG1-CD2 3.52Å; V1866-I1895 WeakPolarHBondContact CA-O 3.48Å; V1866-V1924 HydrophobicContact CG1-CG1 4.45Å; V1866-V1924 HydrophobicContact CG2-CG1 4.26Å; V1866-I1926 HydrophobicContact CG2-CD1 3.7Å; V1866-I1926 HydrophobicContact CG2-CG1 4.18Å |
| 1867 | T | 81.7 | Confident | 70.9 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.5 | 176.7 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | L1894 I1895 | T1867-L1894 CarbonylContact O-C 3.53Å; T1867-L1894 WeakPolarHBondContact O-CA 3.05Å; T1867-I1895 PolarHBondContact N-O 2.98Å; T1867-I1895 PolarHBondContact O-N 3.2Å |
| 1868 | L | 83.3 | Confident | 70.4 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.8 | -178.8 | -166.5 | 156.9 | 0 | 0 | 0 | 108.4 | I1838 L1862 V1879 F1882 I1892 T1893 L1894 L1905 | I1838-L1868 HydrophobicContact CD1-CD1 3.89Å; I1838-L1868 HydrophobicContact CD1-CG 4.46Å; L1862-L1868 HydrophobicContact CD1-CB 4.41Å; L1862-L1868 HydrophobicContact CD2-CB 4.04Å; L1862-L1868 HydrophobicContact CD2-CD1 4.4Å; L1868-V1879 HydrophobicContact CD2-CB 3.7Å; L1868-V1879 HydrophobicContact CD2-CG1 4.12Å; L1868-V1879 HydrophobicContact CD2-CG2 4.25Å; L1868-V1879 PolarHBondContact O-N 3.19Å; L1868-F1882 HydrophobicContact CD1-CE1 4Å; L1868-F1882 HydrophobicContact CD2-CD1 3.95Å; L1868-F1882 HydrophobicContact CD2-CE1 3.98Å; L1868-I1892 HydrophobicContact CD2-CG2 3.58Å; L1868-I1892 HydrophobicContact CG-CG2 4.04Å; L1868-T1893 WeakPolarHBondContact CA-O 3.45Å; L1868-L1894 HydrophobicContact CB-CD2 4.23Å; L1868-L1894 HydrophobicContact CD1-CD2 4.07Å; L1868-L1894 HydrophobicContact CG-CD2 4.27Å; L1868-L1905 HydrophobicContact CD1-CD1 4.19Å |
| 1869 | I | 83.2 | Confident | 69.9 | Low | 13 Ų | 13 | 70.5 Ų | 70.5 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.7 | -171.8 | 52.3 | 159 | 0 | 0 | 0 | 112.2 | H1876 R1877 T1878 I1892 T1893 I1895 | I1869-H1876 HydrophobicContact CD1-CB 4.13Å; I1869-R1877 CarbonylContact C-O 3.51Å; I1869-R1877 VanDerWaalsContact CA-O 3.24Å; I1869-R1877 WeakPolarHBondContact CA-O 3.46Å; I1869-T1878 HydrophobicContact CG2-CG2 4.33Å; I1869-I1892 WeakPolarHBondContact O-CA 3.38Å; I1869-T1893 WeakPolarHBondContact CG1-O 3.47Å; I1869-T1893 PolarHBondContact N-O 3.08Å; I1869-T1893 PolarHBondContact O-N 3.44Å; I1869-I1895 HydrophobicContact CD1-CD1 3.56Å; I1869-I1895 HydrophobicContact CD1-CG1 4.17Å; I1869-I1895 HydrophobicContact CG1-CD1 4.24Å; I1869-I1895 HydrophobicContact CG1-CG1 4.41Å |
| 1870 | K | 80.6 | Confident | 69.7 | Low | 57 Ų | 57 | 75.6 Ų | 75.6 | 25% | 0.248 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.4 | 172 | -167.2 | 168.3 | -172.6 | 168.4 | 0 | 109.6 | T1872 R1877 V1879 D1886 I1892 | K1870-T1872 VanDerWaalsContact C-N 3.28Å; K1870-T1872 PolarHBondContact O-N 3.13Å; K1870-R1877 PolarHBondContact N-O 3.03Å; K1870-V1879 HydrophobicContact CB-CG2 3.6Å; K1870-V1879 VanDerWaalsContact N-CG2 3.3Å; K1870-D1886 VanDerWaalsContact CE-OD1 3.27Å; K1870-D1886 WeakPolarHBondContact CE-OD1 3.39Å; K1870-D1886 IonicContact NZ-OD1 3.77Å; K1870-D1886 PolarHBondContact NZ-OD1 3.03Å; K1870-D1886 IonicContact NZ-OD2 3.14Å; K1870-D1886 PolarHBondContact NZ-OD2 2.97Å; K1870-I1892 HydrophobicContact CB-CD1 4.15Å; K1870-I1892 HydrophobicContact CD-CD1 4.37Å; K1870-I1892 HydrophobicContact CG-CD1 4.08Å |
| 1871 | N | 63.7 | Low | 69.8 | Low | 56 Ų | 56 | 75.3 Ų | 75.3 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 79.6 | 172.8 | -65.7 | -24.6 | 0 | 0 | 0 | 110.1 | H1876 T1891 T1893 | N1871-H1876 PolarHBondContact OD1-CE1 3.02Å; N1871-H1876 PolarHBondContact OD1-ND1 3.44Å; N1871-T1891 PolarHBondContact N-O 3.37Å; N1871-T1893 PolarHBondContact ND2-OG1 2.59Å |
| 1872 | T | 62.7 | Low | 70.3 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | trans | -75.1 | 157.9 | 154.6 | 30 | 0 | 0 | 0 | 0 | 110.1 | K1870 E1874 E1875 | K1870-T1872 VanDerWaalsContact C-N 3.28Å; K1870-T1872 PolarHBondContact O-N 3.13Å; T1872-E1874 PolarHBondContact O-N 3.36Å; T1872-E1874 VanDerWaalsContact O-N 3.08Å; T1872-E1875 PolarHBondContact OG1-O 2.87Å | ||
| 1873 | S | 53.6 | Low | 70.6 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -64.5 | -15.8 | -167.6 | 45 | 0 | 0 | 0 | 0 | 116 | ||
| 1874 | E | 51 | Low | 70.7 | Confident | 184 Ų | 184 | 73.2 Ų | 73.2 | 86% | 0.86 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -132 | -11.9 | -171.9 | -61.8 | -179.9 | 149.6 | 0 | 0 | 113.9 | T1872 | T1872-E1874 PolarHBondContact O-N 3.36Å; T1872-E1874 VanDerWaalsContact O-N 3.08Å |
| 1875 | E | 50.7 | Low | 71 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | trans | -147.9 | 142.2 | 179.7 | -70.7 | -175.5 | 168.3 | 0 | 0 | 112.5 | T1872 R1877 | T1872-E1875 PolarHBondContact OG1-O 2.87Å; E1875-R1877 HydrophobicContact CB-CG 4.38Å; E1875-R1877 IonicContact OE1-NH2 2.69Å; E1875-R1877 IonicContact OE2-CZ 3.4Å; E1875-R1877 IonicContact OE2-NE 3.96Å; E1875-R1877 PolarHBondContact OE2-NE 2.84Å; E1875-R1877 IonicContact OE2-NH2 2.67Å; E1875-R1877 PolarHBondContact OE2-NH2 2.96Å | ||
| 1876 | H | 56.1 | Low | 71.6 | Confident | 121 Ų | 121 | 74.4 Ų | 74.4 | 56% | 0.56 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 91.2 | 168.8 | -68.8 | -51.5 | 0 | 0 | 0 | 110.5 | I1869 N1871 | I1869-H1876 HydrophobicContact CD1-CB 4.13Å; N1871-H1876 PolarHBondContact OD1-CE1 3.02Å; N1871-H1876 PolarHBondContact OD1-ND1 3.44Å |
| 1877 | R | 62.3 | Low | 71.5 | Confident | 158 Ų | 158 | 74.2 Ų | 74.2 | 60% | 0.596 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139.2 | 176.8 | -64.8 | -172.5 | -178.6 | -167.3 | -1.3 | 111.9 | I1869 K1870 E1875 V1879 | I1869-R1877 CarbonylContact C-O 3.51Å; I1869-R1877 VanDerWaalsContact CA-O 3.24Å; I1869-R1877 WeakPolarHBondContact CA-O 3.46Å; K1870-R1877 PolarHBondContact N-O 3.03Å; E1875-R1877 HydrophobicContact CB-CG 4.38Å; E1875-R1877 IonicContact OE1-NH2 2.69Å; E1875-R1877 IonicContact OE2-CZ 3.4Å; E1875-R1877 IonicContact OE2-NE 3.96Å; E1875-R1877 PolarHBondContact OE2-NE 2.84Å; E1875-R1877 IonicContact OE2-NH2 2.67Å; E1875-R1877 PolarHBondContact OE2-NH2 2.96Å; R1877-V1879 WeakPolarHBondContact O-CG2 3.46Å |
| 1878 | T | 69.8 | Low | 70.9 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 65% | 0.65 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 151.4 | 168.8 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | I1869 | I1869-T1878 HydrophobicContact CG2-CG2 4.33Å |
| 1879 | V | 73.1 | Confident | 70.5 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | trans | -131.2 | 101.6 | -163 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | V1859 L1868 K1870 R1877 S1881 F1882 I1892 | V1859-V1879 WeakPolarHBondContact CG2-O 3.4Å; L1868-V1879 HydrophobicContact CD2-CB 3.7Å; L1868-V1879 HydrophobicContact CD2-CG1 4.12Å; L1868-V1879 HydrophobicContact CD2-CG2 4.25Å; L1868-V1879 PolarHBondContact O-N 3.19Å; K1870-V1879 HydrophobicContact CB-CG2 3.6Å; K1870-V1879 VanDerWaalsContact N-CG2 3.3Å; R1877-V1879 WeakPolarHBondContact O-CG2 3.46Å; V1879-S1881 VanDerWaalsContact C-N 3.29Å; V1879-S1881 WeakPolarHBondContact CG1-O 3.37Å; V1879-F1882 HydrophobicContact CG1-CB 3.94Å; V1879-F1882 HydrophobicContact CG1-CD1 4.02Å; V1879-I1892 HydrophobicContact CG1-CD1 4.36Å; V1879-I1892 HydrophobicContact CG2-CD1 4.46Å | ||
| 1880 | D | 76.6 | Confident | 69.9 | Low | 131 Ų | 131 | 83.6 Ų | 83.6 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -74.1 | -22.4 | 173.3 | -54 | -41.6 | 0 | 0 | 0 | 112.6 | V1859 | V1859-D1880 PolarHBondContact N-O 3.35Š|
| 1881 | S | 80.6 | Confident | 69.8 | Low | 74 Ų | 74 | 82.1 Ų | 82.1 | 52% | 0.517 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 145 | 173.8 | 62.9 | 0 | 0 | 0 | 0 | 113 | Y1857 V1879 | Y1857-S1881 CarbonylContact O-C 3.52Å; Y1857-S1881 WeakPolarHBondContact O-CA 3.47Å; Y1857-S1881 VanDerWaalsContact O-CB 3.27Å; Y1857-S1881 WeakPolarHBondContact O-CB 3.38Å; V1879-S1881 VanDerWaalsContact C-N 3.29Å; V1879-S1881 WeakPolarHBondContact CG1-O 3.37Å |
| 1882 | F | 84.3 | Confident | 70.8 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.018 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.7 | 178.3 | 54.9 | -95.3 | 0 | 0 | 0 | 111.9 | Y1857 V1859 L1868 V1879 D1886 M1887 I1892 L1907 | Y1857-F1882 HydrophobicContact CD2-CD2 4.12Å; Y1857-F1882 AromaticContact CD2-CE2 3.97Å; Y1857-F1882 HydrophobicContact CD2-CE2 3.97Å; Y1857-F1882 HydrophobicContact CG-CD2 4.33Å; Y1857-F1882 AromaticContact CG-CE2 3.88Å; Y1857-F1882 HydrophobicContact CG-CE2 3.88Å; Y1857-F1882 HydrophobicContact CG-CZ 4.47Å; Y1857-F1882 PolarHBondContact N-O 3.19Å; Y1857-F1882 PolarHBondContact O-N 3.1Å; V1859-F1882 HydrophobicContact CG2-CE1 4.3Å; L1868-F1882 HydrophobicContact CD1-CE1 4Å; L1868-F1882 HydrophobicContact CD2-CD1 3.95Å; L1868-F1882 HydrophobicContact CD2-CE1 3.98Å; V1879-F1882 HydrophobicContact CG1-CB 3.94Å; V1879-F1882 HydrophobicContact CG1-CD1 4.02Å; F1882-D1886 HydrophobicContact CB-CB 4.14Å; F1882-M1887 HydrophobicContact CD2-CE 4.43Å; F1882-M1887 HydrophobicContact CD2-CG 3.99Å; F1882-M1887 HydrophobicContact CD2-SD 4.31Å; F1882-M1887 HydrophobicContact CE2-CE 4.03Å; F1882-M1887 HydrophobicContact CE2-CG 3.92Å; F1882-M1887 HydrophobicContact CE2-SD 3.68Å; F1882-I1892 HydrophobicContact CB-CD1 3.68Å; F1882-I1892 HydrophobicContact CB-CG1 4.03Å; F1882-I1892 HydrophobicContact CD2-CG1 4.37Å; F1882-I1892 HydrophobicContact CG-CD1 4.16Å; F1882-I1892 HydrophobicContact CG-CG1 4.12Å; F1882-L1907 HydrophobicContact CE1-CD1 4.44Å; F1882-L1907 HydrophobicContact CE1-CD2 4.18Å; F1882-L1907 HydrophobicContact CE2-CD1 4.39Å; F1882-L1907 HydrophobicContact CZ-CD1 3.65Å; F1882-L1907 HydrophobicContact CZ-CD2 4.19Å |
| 1883 | T | 80.9 | Confident | 71.8 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 164.8 | 178 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | E1885 D1886 M1887 | T1883-E1885 PolarHBondContact O-N 2.97Å; T1883-E1885 PolarHBondContact OG1-N 2.93Å; T1883-D1886 PolarHBondContact N-OD2 2.87Å; T1883-D1886 WeakPolarHBondContact O-CB 3.16Å; T1883-D1886 PolarHBondContact O-N 2.97Å; T1883-D1886 PolarHBondContact OG1-N 3Å; T1883-D1886 PolarHBondContact OG1-OD1 3.15Å; T1883-D1886 PolarHBondContact OG1-OD2 2.97Å; T1883-M1887 PolarHBondContact O-N 3.48Å |
| 1884 | E | 75.6 | Confident | 73.2 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.2 | -29.1 | 166.6 | -158.8 | -173.1 | 153.9 | 0 | 0 | 112.6 | K1840 L1855 Y1857 M1887 A1888 | K1840-E1884 VanDerWaalsContact CE-OE1 3.22Å; K1840-E1884 WeakPolarHBondContact CE-OE1 3.44Å; K1840-E1884 IonicContact NZ-OE1 2.66Å; K1840-E1884 PolarHBondContact NZ-OE1 2.8Å; L1855-E1884 PolarHBondContact O-N 2.92Å; L1855-E1884 VanDerWaalsContact O-N 3.13Å; Y1857-E1884 HydrophobicContact CE2-CB 4.36Å; E1884-M1887 HydrophobicContact CG-CE 4.44Å; E1884-A1888 PolarHBondContact O-N 2.89Å |
| 1885 | E | 74.8 | Confident | 74.5 | Confident | 146 Ų | 146 | 64 Ų | 64 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -75.2 | -29.3 | 177.4 | -169.3 | 157.3 | -143 | 0 | 0 | 112.6 | T1883 M1887 A1888 S1889 | T1883-E1885 PolarHBondContact O-N 2.97Å; T1883-E1885 PolarHBondContact OG1-N 2.93Å; E1885-M1887 VanDerWaalsContact C-N 3.35Å; E1885-A1888 PolarHBondContact O-N 2.82Å; E1885-S1889 VanDerWaalsContact O-CB 3.31Å; E1885-S1889 WeakPolarHBondContact O-CB 3.47Å; E1885-S1889 PolarHBondContact O-N 3.18Å; E1885-S1889 PolarHBondContact O-OG 2.89Å |
| 1886 | D | 80.4 | Confident | 75.8 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 172.9 | -63.3 | -27.1 | 0 | 0 | 0 | 112.1 | K1870 F1882 T1883 S1889 K1890 T1891 I1892 | K1870-D1886 VanDerWaalsContact CE-OD1 3.27Å; K1870-D1886 WeakPolarHBondContact CE-OD1 3.39Å; K1870-D1886 IonicContact NZ-OD1 3.77Å; K1870-D1886 PolarHBondContact NZ-OD1 3.03Å; K1870-D1886 IonicContact NZ-OD2 3.14Å; K1870-D1886 PolarHBondContact NZ-OD2 2.97Å; F1882-D1886 HydrophobicContact CB-CB 4.14Å; T1883-D1886 PolarHBondContact N-OD2 2.87Å; T1883-D1886 WeakPolarHBondContact O-CB 3.16Å; T1883-D1886 PolarHBondContact O-N 2.97Å; T1883-D1886 PolarHBondContact OG1-N 3Å; T1883-D1886 PolarHBondContact OG1-OD1 3.15Å; T1883-D1886 PolarHBondContact OG1-OD2 2.97Å; D1886-S1889 WeakPolarHBondContact CA-OG 3.43Å; D1886-S1889 PolarHBondContact O-OG 3.1Å; D1886-S1889 VanDerWaalsContact O-OG 3.07Å; D1886-K1890 PolarHBondContact O-N 2.94Å; D1886-T1891 PolarHBondContact O-N 3.2Å; D1886-T1891 VanDerWaalsContact O-N 3.1Å; D1886-T1891 PolarHBondContact O-OG1 2.78Å; D1886-I1892 HydrophobicContact CB-CD1 3.98Å; D1886-I1892 HydrophobicContact CB-CG1 3.83Å |
| 1887 | M | 76.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.7 | -35.8 | 171 | -67.7 | -170.9 | -73.4 | 0 | 0 | 112.4 | I1838 V1843 Y1857 F1882 T1883 E1884 E1885 K1890 | I1838-M1887 HydrophobicContact CG2-CG 4.3Å; I1838-M1887 HydrophobicContact CG2-SD 3.96Å; V1843-M1887 HydrophobicContact CB-SD 4.45Å; V1843-M1887 HydrophobicContact CG1-CE 4.43Å; V1843-M1887 HydrophobicContact CG2-CE 4.42Å; V1843-M1887 HydrophobicContact CG2-SD 3.74Å; Y1857-M1887 HydrophobicContact CD2-CE 3.83Å; Y1857-M1887 HydrophobicContact CE2-CE 3.38Å; F1882-M1887 HydrophobicContact CD2-CE 4.43Å; F1882-M1887 HydrophobicContact CD2-CG 3.99Å; F1882-M1887 HydrophobicContact CD2-SD 4.31Å; F1882-M1887 HydrophobicContact CE2-CE 4.03Å; F1882-M1887 HydrophobicContact CE2-CG 3.92Å; F1882-M1887 HydrophobicContact CE2-SD 3.68Å; T1883-M1887 PolarHBondContact O-N 3.48Å; E1884-M1887 HydrophobicContact CG-CE 4.44Å; E1885-M1887 VanDerWaalsContact C-N 3.35Å; M1887-K1890 PolarHBondContact O-N 3.23Å |
| 1888 | A | 69.9 | Low | 76.6 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 55% | 0.554 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.2 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1884 E1885 K1890 | E1884-A1888 PolarHBondContact O-N 2.89Å; E1885-A1888 PolarHBondContact O-N 2.82Å; A1888-K1890 VanDerWaalsContact C-N 3.25Å; A1888-K1890 PolarHBondContact O-N 2.65Å |
| 1889 | S | 74.4 | Confident | 76.6 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.5 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | E1885 D1886 T1891 | E1885-S1889 VanDerWaalsContact O-CB 3.31Å; E1885-S1889 WeakPolarHBondContact O-CB 3.47Å; E1885-S1889 PolarHBondContact O-N 3.18Å; E1885-S1889 PolarHBondContact O-OG 2.89Å; D1886-S1889 WeakPolarHBondContact CA-OG 3.43Å; D1886-S1889 PolarHBondContact O-OG 3.1Å; D1886-S1889 VanDerWaalsContact O-OG 3.07Å; S1889-T1891 VanDerWaalsContact C-N 3.29Å; S1889-T1891 PolarHBondContact O-N 3.4Å |
| 1890 | K | 69.6 | Low | 76.2 | Confident | 141 Ų | 141 | 48.7 Ų | 48.7 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 34.6 | -177.7 | -55.6 | -176.8 | 178.5 | 178.1 | 0 | 113.7 | L1837 D1886 M1887 A1888 | L1837-K1890 HydrophobicContact CD1-CB 4.01Å; L1837-K1890 VanDerWaalsContact CD1-O 3.31Å; L1837-K1890 WeakPolarHBondContact CD1-O 3.39Å; L1837-K1890 HydrophobicContact CD2-CB 3.88Å; L1837-K1890 HydrophobicContact CD2-CD 3.95Å; L1837-K1890 HydrophobicContact CD2-CG 3.92Å; L1837-K1890 HydrophobicContact CG-CB 4.49Å; D1886-K1890 PolarHBondContact O-N 2.94Å; M1887-K1890 PolarHBondContact O-N 3.23Å; A1888-K1890 VanDerWaalsContact C-N 3.25Å; A1888-K1890 PolarHBondContact O-N 2.65Å |
| 1891 | T | 79.5 | Confident | 75.7 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | trans | -86.4 | -30.6 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | N1871 D1886 S1889 | N1871-T1891 PolarHBondContact N-O 3.37Å; D1886-T1891 PolarHBondContact O-N 3.2Å; D1886-T1891 VanDerWaalsContact O-N 3.1Å; D1886-T1891 PolarHBondContact O-OG1 2.78Å; S1889-T1891 VanDerWaalsContact C-N 3.29Å; S1889-T1891 PolarHBondContact O-N 3.4Å | ||
| 1892 | I | 85.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.5 | -174.4 | -54.8 | -56.5 | 0 | 0 | 0 | 112.6 | L1837 I1838 L1868 I1869 K1870 V1879 F1882 D1886 | L1837-I1892 WeakPolarHBondContact CD1-O 3.26Å; I1838-I1892 HydrophobicContact CB-CB 4.41Å; I1838-I1892 HydrophobicContact CB-CG2 4.11Å; I1838-I1892 HydrophobicContact CD1-CG2 3.84Å; I1838-I1892 HydrophobicContact CG1-CG2 4.13Å; I1838-I1892 PolarHBondContact N-O 3.19Å; L1868-I1892 HydrophobicContact CD2-CG2 3.58Å; L1868-I1892 HydrophobicContact CG-CG2 4.04Å; I1869-I1892 WeakPolarHBondContact O-CA 3.38Å; K1870-I1892 HydrophobicContact CB-CD1 4.15Å; K1870-I1892 HydrophobicContact CD-CD1 4.37Å; K1870-I1892 HydrophobicContact CG-CD1 4.08Å; V1879-I1892 HydrophobicContact CG1-CD1 4.36Å; V1879-I1892 HydrophobicContact CG2-CD1 4.46Å; F1882-I1892 HydrophobicContact CB-CD1 3.68Å; F1882-I1892 HydrophobicContact CB-CG1 4.03Å; F1882-I1892 HydrophobicContact CD2-CG1 4.37Å; F1882-I1892 HydrophobicContact CG-CD1 4.16Å; F1882-I1892 HydrophobicContact CG-CG1 4.12Å; D1886-I1892 HydrophobicContact CB-CD1 3.98Å; D1886-I1892 HydrophobicContact CB-CG1 3.83Å |
| 1893 | T | 82.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.1 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | R1835 R1836 L1868 I1869 N1871 I1895 | R1835-T1893 HydrophobicContact CB-CG2 3.95Å; R1836-T1893 CarbonylContact O-C 3.54Å; R1836-T1893 WeakPolarHBondContact O-CA 3.25Å; L1868-T1893 WeakPolarHBondContact CA-O 3.45Å; I1869-T1893 WeakPolarHBondContact CG1-O 3.47Å; I1869-T1893 PolarHBondContact N-O 3.08Å; I1869-T1893 PolarHBondContact O-N 3.44Å; N1871-T1893 PolarHBondContact ND2-OG1 2.59Å; T1893-I1895 HydrophobicContact CG2-CG1 4.49Å |
| 1894 | L | 83.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.7 | 165.6 | -73.9 | 157.3 | 0 | 0 | 0 | 110 | I1828 V1830 R1835 R1836 I1838 L1862 V1866 T1867 L1868 | I1828-L1894 HydrophobicContact CB-CD1 4.47Å; I1828-L1894 HydrophobicContact CD1-CD1 4.1Å; I1828-L1894 HydrophobicContact CG2-CD1 3.73Å; V1830-L1894 HydrophobicContact CG2-CB 4.42Å; V1830-L1894 HydrophobicContact CG2-CD1 4.45Å; R1835-L1894 CarbonylContact C-O 3.45Å; R1835-L1894 VanDerWaalsContact CA-O 3.25Å; R1835-L1894 WeakPolarHBondContact CA-O 3.41Å; R1836-L1894 PolarHBondContact N-O 2.99Å; R1836-L1894 PolarHBondContact O-N 3.36Å; I1838-L1894 HydrophobicContact CD1-CD1 3.74Å; I1838-L1894 HydrophobicContact CD1-CG 3.87Å; I1838-L1894 HydrophobicContact CG1-CD1 3.76Å; I1838-L1894 HydrophobicContact CG1-CG 4.03Å; L1862-L1894 HydrophobicContact CD2-CD2 4.48Å; V1866-L1894 HydrophobicContact CG1-CD2 3.52Å; T1867-L1894 CarbonylContact O-C 3.53Å; T1867-L1894 WeakPolarHBondContact O-CA 3.05Å; L1868-L1894 HydrophobicContact CB-CD2 4.23Å; L1868-L1894 HydrophobicContact CD1-CD2 4.07Å; L1868-L1894 HydrophobicContact CG-CD2 4.27Å |
| 1895 | I | 79.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.7 | 170.4 | -62.3 | -173.4 | 0 | 0 | 0 | 108.9 | R1835 V1866 T1867 I1869 T1893 | R1835-I1895 HydrophobicContact CB-CG1 3.92Å; V1866-I1895 WeakPolarHBondContact CA-O 3.48Å; T1867-I1895 PolarHBondContact N-O 2.98Å; T1867-I1895 PolarHBondContact O-N 3.2Å; I1869-I1895 HydrophobicContact CD1-CD1 3.56Å; I1869-I1895 HydrophobicContact CD1-CG1 4.17Å; I1869-I1895 HydrophobicContact CG1-CD1 4.24Å; I1869-I1895 HydrophobicContact CG1-CG1 4.41Å; T1893-I1895 HydrophobicContact CG2-CG1 4.49Å |
| 1896 | S | 77 | Confident | 74.7 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.3 | 163.3 | 169.5 | 0 | 0 | 0 | 0 | 109.3 | G1833 Q1834 G1898 | G1833-S1896 WeakPolarHBondContact CA-O 3.41Å; G1833-S1896 PolarHBondContact N-OG 3.28Å; G1833-S1896 VanDerWaalsContact N-OG 3.16Å; Q1834-S1896 PolarHBondContact O-N 3.02Å; S1896-G1898 PolarHBondContact O-N 3.24Å; S1896-G1898 PolarHBondContact OG-N 3.19Å |
| 1897 | S | 70.7 | Confident | 74.8 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | trans | -74.2 | 6.4 | 175.9 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | G1865 | G1865-S1897 VanDerWaalsContact C-OG 3.25Å; G1865-S1897 WeakPolarHBondContact CA-OG 3.45Å; G1865-S1897 VanDerWaalsContact O-CB 3.25Å; G1865-S1897 WeakPolarHBondContact O-CB 3.31Å; G1865-S1897 PolarHBondContact O-N 2.76Å; G1865-S1897 PolarHBondContact O-OG 2.83Å | ||
| 1898 | G | 64.1 | Low | 74.9 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 90 | 1.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1832 S1896 | Q1832-G1898 PolarHBondContact NE2-O 2.95Å; S1896-G1898 PolarHBondContact O-N 3.24Å; S1896-G1898 PolarHBondContact OG-N 3.19Å |
| 1899 | K | 69.2 | Low | 75.1 | Confident | 85 Ų | 85 | 32.9 Ų | 32.9 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | trans | -86.5 | 156.6 | 170.3 | -69.3 | -159.6 | -178.5 | -169.8 | 0 | 113.2 | E1901 I1926 | K1899-E1901 HydrophobicContact CD-CG 4.32Å; K1899-E1901 WeakPolarHBondContact CD-OE1 3.2Å; K1899-E1901 WeakPolarHBondContact CD-OE2 3.46Å; K1899-E1901 WeakPolarHBondContact CE-OE2 3.29Å; K1899-E1901 IonicContact NZ-OE1 2.75Å; K1899-E1901 PolarHBondContact NZ-OE1 3.09Å; K1899-E1901 IonicContact NZ-OE2 3.91Å; K1899-E1901 PolarHBondContact NZ-OE2 3.11Å; K1899-I1926 WeakPolarHBondContact O-CD1 3.42Å | ||
| 1900 | L | 66.5 | Low | 74.8 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -105.2 | 61.9 | 169.3 | -65.6 | -166 | 0 | 0 | 0 | 113.6 | Y472 R474 Q1832 I1926 P1928 | Y472-L1900 WeakPolarHBondContact O-CD1 3.09Å; Y472-L1900 VanDerWaalsContact O-CG 3.3Å; Y472-L1900 WeakPolarHBondContact O-CG 3.39Å; R474-L1900 HydrophobicContact CG-CD1 3.95Å; Q1832-L1900 HydrophobicContact CB-CD2 4.02Å; Q1832-L1900 HydrophobicContact CG-CD2 3.72Å; L1900-I1926 HydrophobicContact CD2-CB 4.24Å; L1900-I1926 HydrophobicContact CD2-CG2 3.62Å; L1900-P1928 HydrophobicContact CD1-CB 3.57Å; L1900-P1928 HydrophobicContact CD1-CG 4.41Å; L1900-P1928 HydrophobicContact CD2-CB 3.58Å; L1900-P1928 HydrophobicContact CG-CB 4.24Å | ||
| 1901 | E | 64.4 | Low | 74.4 | Confident | 39 Ų | 39 | 28 Ų | 28 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | trans | -109.5 | 79.1 | 177.6 | -74.4 | 166.4 | -171.5 | 0 | 0 | 108.8 | D1864 K1899 G1903 | D1864-E1901 WeakPolarHBondContact CB-OE2 3.1Å; D1864-E1901 WeakPolarHBondContact O-CB 3.4Å; K1899-E1901 HydrophobicContact CD-CG 4.32Å; K1899-E1901 WeakPolarHBondContact CD-OE1 3.2Å; K1899-E1901 WeakPolarHBondContact CD-OE2 3.46Å; K1899-E1901 WeakPolarHBondContact CE-OE2 3.29Å; K1899-E1901 IonicContact NZ-OE1 2.75Å; K1899-E1901 PolarHBondContact NZ-OE1 3.09Å; K1899-E1901 IonicContact NZ-OE2 3.91Å; K1899-E1901 PolarHBondContact NZ-OE2 3.11Å; E1901-G1903 PolarHBondContact O-N 3.46Å | ||
| 1902 | N | 70.6 | Confident | 73.2 | Confident | 86 Ų | 86 | 31.3 Ų | 31.3 | 46% | 0.46 | 19% | 0.185 | S | C | . | . | trans | -52 | 126.9 | 166.6 | -78.3 | -30.5 | 0 | 0 | 0 | 109.3 | I1925 I1926 | N1902-I1925 WeakPolarHBondContact OD1-CA 3.34Å; N1902-I1926 PolarHBondContact OD1-N 2.97Å | ||
| 1903 | G | 70.7 | Confident | 71.8 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 177.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1901 V1924 | E1901-G1903 PolarHBondContact O-N 3.46Å; G1903-V1924 PolarHBondContact N-O 3.08Å; G1903-V1924 VanDerWaalsContact N-O 3.11Å; G1903-V1924 PolarHBondContact O-N 3.33Å |
| 1904 | T | 76.3 | Confident | 70.8 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.5 | -174.8 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | L1906 Q1921 F1922 | T1904-L1906 HydrophobicContact CG2-CB 4.41Å; T1904-L1906 HydrophobicContact CG2-CD1 4.41Å; T1904-Q1921 HydrophobicContact CG2-CG 3.53Å; T1904-F1922 WeakPolarHBondContact CA-O 3.25Å |
| 1905 | L | 80.5 | Confident | 69.5 | Low | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.2 | 161.4 | 171.3 | 70.8 | 0 | 0 | 0 | 107.5 | I1828 Q1861 L1862 L1868 L1907 F1922 V1924 | I1828-L1905 HydrophobicContact CD1-CD2 4.04Å; Q1861-L1905 WeakPolarHBondContact O-CA 3.48Å; L1862-L1905 HydrophobicContact CD2-CD1 3.74Å; L1862-L1905 HydrophobicContact CG-CD1 4.34Å; L1868-L1905 HydrophobicContact CD1-CD1 4.19Å; L1905-L1907 HydrophobicContact CD1-CD2 3.84Å; L1905-L1907 HydrophobicContact CG-CD2 4.16Å; L1905-L1907 HydrophobicContact CG-CG 4.32Å; L1905-F1922 HydrophobicContact CB-CB 4.22Å; L1905-F1922 HydrophobicContact CD2-CB 4.43Å; L1905-F1922 HydrophobicContact CD2-CD2 4.26Å; L1905-F1922 HydrophobicContact CD2-CG 4.5Å; L1905-F1922 HydrophobicContact CG-CD2 4.37Å; L1905-F1922 PolarHBondContact N-O 2.89Å; L1905-F1922 PolarHBondContact O-N 2.87Å; L1905-V1924 HydrophobicContact CB-CG2 3.65Å |
| 1906 | L | 79 | Confident | 68.3 | Low | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.5 | 178.1 | -160.7 | 76.2 | 0 | 0 | 0 | 109.1 | V1860 Q1861 T1904 L1919 Y1920 Q1921 | V1860-L1906 HydrophobicContact CB-CB 4.34Å; V1860-L1906 HydrophobicContact CB-CD2 4.2Å; V1860-L1906 HydrophobicContact CB-CG 4.44Å; V1860-L1906 WeakPolarHBondContact CB-O 3.43Å; V1860-L1906 HydrophobicContact CG1-CD2 4Å; V1860-L1906 PolarHBondContact N-O 2.88Å; Q1861-L1906 HydrophobicContact CB-CB 3.74Å; Q1861-L1906 PolarHBondContact N-O 3.42Å; Q1861-L1906 PolarHBondContact O-N 3.14Å; T1904-L1906 HydrophobicContact CG2-CB 4.41Å; T1904-L1906 HydrophobicContact CG2-CD1 4.41Å; L1906-L1919 HydrophobicContact CD2-CD2 4.37Å; L1906-Y1920 WeakPolarHBondContact CA-O 3.42Å; L1906-Q1921 HydrophobicContact CD1-CB 3.99Å; L1906-Q1921 HydrophobicContact CD1-CG 4.14Å |
| 1907 | L | 81.2 | Confident | 67.6 | Low | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.5 | 176.7 | -53 | 179.2 | 0 | 0 | 0 | 110 | Y1857 R1858 V1859 F1882 L1905 Y1920 F1922 | Y1857-L1907 HydrophobicContact CD1-CB 4.38Å; Y1857-L1907 HydrophobicContact CD1-CD1 3.96Å; Y1857-L1907 HydrophobicContact CG-CD1 4.4Å; R1858-L1907 CarbonylContact O-C 3.52Å; R1858-L1907 VanDerWaalsContact O-CA 3.32Å; R1858-L1907 WeakPolarHBondContact O-CA 3.44Å; V1859-L1907 HydrophobicContact CB-CD2 4.44Å; V1859-L1907 HydrophobicContact CG2-CD2 3.94Å; F1882-L1907 HydrophobicContact CE1-CD1 4.44Å; F1882-L1907 HydrophobicContact CE1-CD2 4.18Å; F1882-L1907 HydrophobicContact CE2-CD1 4.39Å; F1882-L1907 HydrophobicContact CZ-CD1 3.65Å; F1882-L1907 HydrophobicContact CZ-CD2 4.19Å; L1905-L1907 HydrophobicContact CD1-CD2 3.84Å; L1905-L1907 HydrophobicContact CG-CD2 4.16Å; L1905-L1907 HydrophobicContact CG-CG 4.32Å; L1907-Y1920 PolarHBondContact N-O 2.69Å; L1907-Y1920 PolarHBondContact O-N 3.02Å; L1907-F1922 HydrophobicContact CD1-CD2 4.38Å; L1907-F1922 HydrophobicContact CD1-CE2 3.7Å; L1907-F1922 HydrophobicContact CD1-CZ 4.43Å; L1907-F1922 HydrophobicContact CG-CD2 4.45Å; L1907-F1922 HydrophobicContact CG-CE2 4.09Å |
| 1908 | S | 79.7 | Confident | 67.5 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.6 | 167.2 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | R1858 V1860 Q1918 | R1858-S1908 PolarHBondContact N-O 2.95Å; R1858-S1908 PolarHBondContact O-N 2.96Å; V1860-S1908 WeakPolarHBondContact CG2-OG 3.39Å; S1908-Q1918 WeakPolarHBondContact CA-O 2.99Å |
| 1909 | T | 74 | Confident | 67.8 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.9 | 159.1 | 72.2 | 0 | 0 | 0 | 0 | 108.9 | L1855 Y1857 Q1918 Y1920 | L1855-T1909 HydrophobicContact CD2-CG2 4.06Å; Y1857-T1909 HydrophobicContact CD1-CG2 3.53Å; Y1857-T1909 HydrophobicContact CE1-CG2 3.68Å; Y1857-T1909 HydrophobicContact CG-CG2 4.12Å; T1909-Q1918 PolarHBondContact N-O 2.81Å; T1909-Q1918 PolarHBondContact O-N 2.86Å; T1909-Y1920 HydrophobicContact CG2-CD2 4.09Å; T1909-Y1920 HydrophobicContact CG2-CE2 3.65Å; T1909-Y1920 WeakPolarHBondContact OG1-CE2 3.23Å |
| 1910 | T | 66.3 | Low | 68 | Low | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.5 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 108.7 | P1912 | T1910-P1912 WeakPolarHBondContact O-CD 3.18Å |
| 1911 | D | 62.2 | Low | 68.4 | Low | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | trans | -69.9 | 119.3 | 169.1 | 169.8 | 5.7 | 0 | 0 | 0 | 109 | L1852 L1913 T1914 K1915 D1916 | L1852-D1911 HydrophobicContact CD1-CB 4.4Å; D1911-L1913 PolarHBondContact O-N 2.88Å; D1911-L1913 WeakPolarHBondContact OD1-CB 3.39Å; D1911-L1913 PolarHBondContact OD1-N 3.01Å; D1911-T1914 VanDerWaalsContact CB-OG1 3.28Å; D1911-T1914 WeakPolarHBondContact CB-OG1 3.26Å; D1911-T1914 WeakPolarHBondContact OD2-CB 3.18Å; D1911-T1914 VanDerWaalsContact OD2-CG2 3.27Å; D1911-T1914 WeakPolarHBondContact OD2-CG2 3.41Å; D1911-T1914 PolarHBondContact OD2-OG1 2.6Å; D1911-K1915 VanDerWaalsContact O-CA 3.24Å; D1911-K1915 WeakPolarHBondContact O-CA 3.44Å; D1911-K1915 PolarHBondContact O-N 3.29Å; D1911-D1916 PolarHBondContact N-O 2.61Å | ||
| 1912 | P | 54.9 | Low | 69.1 | Low | 96 Ų | 96 | 52.7 Ų | 52.7 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.1 | -176.4 | 29.4 | -36.4 | 0 | 0 | 0 | 114 | L1852 T1910 | L1852-P1912 HydrophobicContact CD2-CG 3.91Å; T1910-P1912 WeakPolarHBondContact O-CD 3.18Å |
| 1913 | L | 55.8 | Low | 69.4 | Low | 147 Ų | 147 | 52.2 Ų | 52.2 | 77% | 0.77 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -46.9 | 178.1 | -69.9 | 167.3 | 0 | 0 | 0 | 112.7 | L1852 D1911 | L1852-L1913 HydrophobicContact CD2-CD1 4.3Å; D1911-L1913 PolarHBondContact O-N 2.88Å; D1911-L1913 WeakPolarHBondContact OD1-CB 3.39Å; D1911-L1913 PolarHBondContact OD1-N 3.01Å |
| 1914 | T | 60.4 | Low | 69.9 | Low | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -23.2 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | D1911 D1916 | D1911-T1914 VanDerWaalsContact CB-OG1 3.28Å; D1911-T1914 WeakPolarHBondContact CB-OG1 3.26Å; D1911-T1914 WeakPolarHBondContact OD2-CB 3.18Å; D1911-T1914 VanDerWaalsContact OD2-CG2 3.27Å; D1911-T1914 WeakPolarHBondContact OD2-CG2 3.41Å; D1911-T1914 PolarHBondContact OD2-OG1 2.6Å; T1914-D1916 PolarHBondContact O-N 2.99Å; T1914-D1916 WeakPolarHBondContact OG1-CB 3.44Å; T1914-D1916 PolarHBondContact OG1-N 2.88Å; T1914-D1916 VanDerWaalsContact OG1-N 3.1Å |
| 1915 | K | 56.5 | Low | 70 | Confident | 173 Ų | 173 | 52.3 Ų | 52.3 | 75% | 0.752 | 27% | 0.274 | S | S | * | . | trans | 61.7 | 9.8 | -162 | -54.8 | -176.1 | 179.3 | -178.4 | 0 | 114.4 | D1911 | D1911-K1915 VanDerWaalsContact O-CA 3.24Å; D1911-K1915 WeakPolarHBondContact O-CA 3.44Å; D1911-K1915 PolarHBondContact O-N 3.29Å | ||
| 1916 | D | 54.9 | Low | 69.8 | Low | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | trans | -64.9 | 137.2 | 172.6 | -72.3 | -37.1 | 0 | 0 | 0 | 109.6 | D1911 T1914 | D1911-D1916 PolarHBondContact N-O 2.61Å; T1914-D1916 PolarHBondContact O-N 2.99Å; T1914-D1916 WeakPolarHBondContact OG1-CB 3.44Å; T1914-D1916 PolarHBondContact OG1-N 2.88Å; T1914-D1916 VanDerWaalsContact OG1-N 3.1Å | ||
| 1917 | I | 62.5 | Low | 69.5 | Low | 91 Ų | 91 | 51.7 Ų | 51.7 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.4 | 176.7 | -58.7 | 175.3 | 0 | 0 | 0 | 108.1 | L1919 | I1917-L1919 HydrophobicContact CG2-CD2 4.43Å |
| 1918 | Q | 66.8 | Low | 69.4 | Low | 68 Ų | 68 | 52.2 Ų | 52.2 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.4 | 171.9 | -62.1 | -170.3 | 17.4 | 0 | 0 | 109.5 | L1823 S1908 T1909 Y1920 | L1823-Q1918 HydrophobicContact CD1-CB 4.47Å; S1908-Q1918 WeakPolarHBondContact CA-O 2.99Å; T1909-Q1918 PolarHBondContact N-O 2.81Å; T1909-Q1918 PolarHBondContact O-N 2.86Å; Q1918-Y1920 HydrophobicContact CB-CD2 4.5Å; Q1918-Y1920 HydrophobicContact CB-CE2 3.85Å; Q1918-Y1920 PolarHBondContact OE1-OH 3.13Å |
| 1919 | L | 71.4 | Confident | 69.2 | Low | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.1 | 177.5 | -68.3 | 174.5 | 0 | 0 | 0 | 109.7 | I1822 L1823 L1906 I1917 | I1822-L1919 HydrophobicContact CG1-CB 4.36Å; I1822-L1919 HydrophobicContact CG1-CD1 4.25Å; L1823-L1919 PolarHBondContact N-O 2.88Å; L1906-L1919 HydrophobicContact CD2-CD2 4.37Å; I1917-L1919 HydrophobicContact CG2-CD2 4.43Å |
| 1920 | Y | 73.6 | Confident | 69.4 | Low | 26 Ų | 26 | 51.2 Ų | 51.2 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.8 | 176.4 | -65.7 | -99.4 | 0 | 0 | 0 | 109 | L1823 V1825 L1906 L1907 T1909 Q1918 | L1823-Y1920 HydrophobicContact CD1-CE1 4.24Å; V1825-Y1920 HydrophobicContact CG2-CD1 3.72Å; V1825-Y1920 HydrophobicContact CG2-CG 4.26Å; L1906-Y1920 WeakPolarHBondContact CA-O 3.42Å; L1907-Y1920 PolarHBondContact N-O 2.69Å; L1907-Y1920 PolarHBondContact O-N 3.02Å; T1909-Y1920 HydrophobicContact CG2-CD2 4.09Å; T1909-Y1920 HydrophobicContact CG2-CE2 3.65Å; T1909-Y1920 WeakPolarHBondContact OG1-CE2 3.23Å; Q1918-Y1920 HydrophobicContact CB-CD2 4.5Å; Q1918-Y1920 HydrophobicContact CB-CE2 3.85Å; Q1918-Y1920 PolarHBondContact OE1-OH 3.13Å |
| 1921 | Q | 75.5 | Confident | 70.1 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122 | -178.7 | -169.4 | 179.8 | -7.3 | 0 | 0 | 110.8 | I1822 L1823 N1824 V1825 T1904 L1906 | I1822-Q1921 HydrophobicContact CG2-CB 3.98Å; L1823-Q1921 PolarHBondContact O-N 3.44Å; N1824-Q1921 PolarHBondContact ND2-OE1 2.89Å; N1824-Q1921 PolarHBondContact OD1-OE1 3.07Å; V1825-Q1921 PolarHBondContact N-O 2.83Å; T1904-Q1921 HydrophobicContact CG2-CG 3.53Å; L1906-Q1921 HydrophobicContact CD1-CB 3.99Å; L1906-Q1921 HydrophobicContact CD1-CG 4.14Å |
| 1922 | F | 77.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.8 | 173.7 | -53.4 | -98 | 0 | 0 | 0 | 109.8 | V1825 G1826 I1828 D1842 V1843 T1904 L1905 L1907 | V1825-F1922 HydrophobicContact CB-CD1 3.87Å; V1825-F1922 HydrophobicContact CB-CE1 3.49Å; V1825-F1922 VanDerWaalsContact CB-CE1 3.49Å; V1825-F1922 HydrophobicContact CB-CZ 3.84Å; V1825-F1922 HydrophobicContact CG1-CD1 4.35Å; V1825-F1922 HydrophobicContact CG1-CE1 3.55Å; V1825-F1922 HydrophobicContact CG1-CZ 3.92Å; V1825-F1922 HydrophobicContact CG2-CD1 4.43Å; V1825-F1922 HydrophobicContact CG2-CE1 3.94Å; V1825-F1922 HydrophobicContact CG2-CE2 4.09Å; V1825-F1922 HydrophobicContact CG2-CZ 3.74Å; G1826-F1922 WeakPolarHBondContact O-CA 3.09Å; I1828-F1922 HydrophobicContact CD1-CB 4.33Å; I1828-F1922 HydrophobicContact CD1-CD1 4.26Å; I1828-F1922 HydrophobicContact CD1-CG 4.4Å; I1828-F1922 HydrophobicContact CG1-CD1 4.45Å; D1842-F1922 WeakPolarHBondContact O-CE1 3.3Å; V1843-F1922 HydrophobicContact CB-CZ 4.4Å; V1843-F1922 HydrophobicContact CG1-CZ 4.19Å; V1843-F1922 HydrophobicContact CG2-CE1 4.03Å; V1843-F1922 HydrophobicContact CG2-CZ 3.93Å; T1904-F1922 WeakPolarHBondContact CA-O 3.25Å; L1905-F1922 HydrophobicContact CB-CB 4.22Å; L1905-F1922 HydrophobicContact CD2-CB 4.43Å; L1905-F1922 HydrophobicContact CD2-CD2 4.26Å; L1905-F1922 HydrophobicContact CD2-CG 4.5Å; L1905-F1922 HydrophobicContact CG-CD2 4.37Å; L1905-F1922 PolarHBondContact N-O 2.89Å; L1905-F1922 PolarHBondContact O-N 2.87Å; L1907-F1922 HydrophobicContact CD1-CD2 4.38Å; L1907-F1922 HydrophobicContact CD1-CE2 3.7Å; L1907-F1922 HydrophobicContact CD1-CZ 4.43Å; L1907-F1922 HydrophobicContact CG-CD2 4.45Å; L1907-F1922 HydrophobicContact CG-CE2 4.09Å |
| 1923 | Q | 78.1 | Confident | 71.8 | Confident | 77 Ų | 77 | 42.1 Ų | 42.1 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.3 | 168.8 | -67.3 | -64 | -28 | 0 | 0 | 109.1 | G1826 S1827 I1828 I1925 | G1826-Q1923 PolarHBondContact O-N 2.86Å; S1827-Q1923 CarbonylContact C-O 3.46Å; S1827-Q1923 WeakPolarHBondContact CA-O 3.19Å; S1827-Q1923 WeakPolarHBondContact CB-O 3.37Å; I1828-Q1923 PolarHBondContact N-O 3.26Å; Q1923-I1925 PolarHBondContact O-N 2.95Å |
| 1924 | V | 79.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110.8 | 168.8 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | I1828 V1830 P1863 V1866 G1903 L1905 | I1828-V1924 WeakPolarHBondContact O-CA 3.24Å; V1830-V1924 HydrophobicContact CG2-CG1 4.2Å; P1863-V1924 HydrophobicContact CG-CB 3.58Å; P1863-V1924 HydrophobicContact CG-CG1 4.13Å; P1863-V1924 HydrophobicContact CG-CG2 3.66Å; V1866-V1924 HydrophobicContact CG1-CG1 4.45Å; V1866-V1924 HydrophobicContact CG2-CG1 4.26Å; G1903-V1924 PolarHBondContact N-O 3.08Å; G1903-V1924 VanDerWaalsContact N-O 3.11Å; G1903-V1924 PolarHBondContact O-N 3.33Å; L1905-V1924 HydrophobicContact CB-CG2 3.65Å |
| 1925 | I | 79.7 | Confident | 72.1 | Confident | 44 Ų | 44 | 36 Ų | 36 | 23% | 0.226 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112.3 | 174.2 | -58.3 | 175.1 | 0 | 0 | 0 | 106 | I1828 R1829 V1830 N1902 Q1923 E1927 | I1828-I1925 PolarHBondContact O-N 2.84Å; R1829-I1925 WeakPolarHBondContact CA-O 3.2Å; R1829-I1925 HydrophobicContact CG-CB 4.19Å; R1829-I1925 HydrophobicContact CG-CD1 4.43Å; V1830-I1925 PolarHBondContact N-O 2.78Å; N1902-I1925 WeakPolarHBondContact OD1-CA 3.34Å; Q1923-I1925 PolarHBondContact O-N 2.95Å; I1925-E1927 VanDerWaalsContact C-N 3.33Å; I1925-E1927 HydrophobicContact CG2-CG 4.47Å; I1925-E1927 PolarHBondContact O-N 2.92Å; I1925-E1927 VanDerWaalsContact O-N 3.13Å |
| 1926 | I | 76.4 | Confident | 72 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 94 | 167.3 | -53.4 | -177.5 | 0 | 0 | 0 | 105.8 | V1830 Q1832 V1866 K1899 L1900 N1902 P1928 | V1830-I1926 CarbonylContact O-C 3.49Å; V1830-I1926 VanDerWaalsContact O-CA 3.28Å; V1830-I1926 WeakPolarHBondContact O-CA 3.35Å; Q1832-I1926 HydrophobicContact CB-CG2 3.94Å; Q1832-I1926 HydrophobicContact CG-CG2 4.28Å; V1866-I1926 HydrophobicContact CG2-CD1 3.7Å; V1866-I1926 HydrophobicContact CG2-CG1 4.18Å; K1899-I1926 WeakPolarHBondContact O-CD1 3.42Å; L1900-I1926 HydrophobicContact CD2-CB 4.24Å; L1900-I1926 HydrophobicContact CD2-CG2 3.62Å; N1902-I1926 PolarHBondContact OD1-N 2.97Å; I1926-P1928 WeakPolarHBondContact O-CD 3.45Å |
| 1927 | E | 72.8 | Confident | 72 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 122.6 | 166.2 | -81 | 167.9 | 162 | 0 | 0 | 106.9 | R1829 V1830 V1831 Q1832 I1925 | R1829-E1927 HydrophobicContact CB-CG 4.29Å; R1829-E1927 WeakPolarHBondContact CB-OE1 3.37Å; R1829-E1927 WeakPolarHBondContact CB-OE2 3.41Å; R1829-E1927 WeakPolarHBondContact CD-OE1 3.06Å; R1829-E1927 HydrophobicContact CG-CG 4.23Å; R1829-E1927 VanDerWaalsContact CG-OE1 3.28Å; R1829-E1927 WeakPolarHBondContact CG-OE1 3.43Å; R1829-E1927 IonicContact CZ-OE1 3.3Å; R1829-E1927 IonicContact NE-OE1 2.68Å; R1829-E1927 IonicContact NH1-OE1 3.16Å; R1829-E1927 PolarHBondContact NH1-OE1 2.98Å; V1830-E1927 PolarHBondContact O-N 3.05Å; V1831-E1927 CarbonylContact C-O 3.54Å; V1831-E1927 WeakPolarHBondContact CA-O 3.16Å; V1831-E1927 HydrophobicContact CG2-CB 4.15Å; Q1832-E1927 PolarHBondContact N-O 3.4Å; I1925-E1927 VanDerWaalsContact C-N 3.33Å; I1925-E1927 HydrophobicContact CG2-CG 4.47Å; I1925-E1927 PolarHBondContact O-N 2.92Å; I1925-E1927 VanDerWaalsContact O-N 3.13Å |
| 1928 | P | 77.9 | Confident | 72.4 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 147.2 | -175.4 | 36.7 | -33.3 | 0 | 0 | 0 | 108.4 | Y472 L1900 I1926 N1960 | Y472-P1928 HydrophobicContact CD1-CB 3.12Å; Y472-P1928 HydrophobicContact CD1-CG 3.45Å; Y472-P1928 VanDerWaalsContact CD1-CG 3.45Å; Y472-P1928 HydrophobicContact CD2-CB 3.97Å; Y472-P1928 HydrophobicContact CD2-CG 3.68Å; Y472-P1928 HydrophobicContact CE1-CB 3.59Å; Y472-P1928 HydrophobicContact CE1-CG 3.42Å; Y472-P1928 VanDerWaalsContact CE1-CG 3.42Å; Y472-P1928 WeakPolarHBondContact CE1-O 3.41Å; Y472-P1928 HydrophobicContact CE2-CB 4.36Å; Y472-P1928 HydrophobicContact CE2-CG 3.65Å; Y472-P1928 HydrophobicContact CG-CB 3.33Å; Y472-P1928 HydrophobicContact CG-CG 3.57Å; L1900-P1928 HydrophobicContact CD1-CB 3.57Å; L1900-P1928 HydrophobicContact CD1-CG 4.41Å; L1900-P1928 HydrophobicContact CD2-CB 3.58Å; L1900-P1928 HydrophobicContact CG-CB 4.24Å; I1926-P1928 WeakPolarHBondContact O-CD 3.45Å; P1928-N1960 PolarHBondContact O-ND2 2.72Å; P1928-N1960 VanDerWaalsContact O-ND2 3.1Å |
| 1929 | L | 76.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 147.5 | -171.6 | -176 | 83.8 | 0 | 0 | 0 | 109.5 | L471 Y472 V1831 Q1832 Q1834 N1960 F2022 | L471-L1929 CarbonylContact C-O 3.51Å; L471-L1929 WeakPolarHBondContact CB-O 3.46Å; L471-L1929 HydrophobicContact CD2-CB 3.49Å; L471-L1929 VanDerWaalsContact CD2-CB 3.49Å; L471-L1929 HydrophobicContact CD2-CD2 3.55Å; L471-L1929 HydrophobicContact CD2-CG 3.38Å; L471-L1929 WeakPolarHBondContact CD2-O 3.48Å; Y472-L1929 WeakPolarHBondContact CD1-O 3.4Å; Y472-L1929 WeakPolarHBondContact CE1-O 3.46Å; V1831-L1929 HydrophobicContact CG1-CB 3.98Å; V1831-L1929 HydrophobicContact CG1-CD1 3.46Å; V1831-L1929 VanDerWaalsContact CG1-CD1 3.46Å; V1831-L1929 HydrophobicContact CG1-CG 4.32Å; Q1832-L1929 HydrophobicContact CB-CB 4.37Å; Q1834-L1929 HydrophobicContact CG-CD1 4.33Å; L1929-N1960 VanDerWaalsContact CA-OD1 3.24Å; L1929-N1960 WeakPolarHBondContact CA-OD1 3.4Å; L1929-N1960 WeakPolarHBondContact CD1-OD1 3.35Å; L1929-F2022 HydrophobicContact CD2-CB 4.43Å; L1929-F2022 HydrophobicContact CD2-CD2 3.29Å; L1929-F2022 HydrophobicContact CD2-CE2 3.72Å; L1929-F2022 HydrophobicContact CD2-CG 3.92Å |
| 1930 | T | 77.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -119.7 | 155.1 | -166.3 | 54.3 | 0 | 0 | 0 | 0 | 119.1 | E171 Y172 L471 Y472 S1959 N1960 | E171-T1930 HydrophobicContact CB-CG2 3.73Å; E171-T1930 HydrophobicContact CG-CG2 3.34Å; E171-T1930 PolarHBondContact O-OG1 2.74Å; E171-T1930 WeakPolarHBondContact OE2-CG2 3.26Å; Y172-T1930 HydrophobicContact CD2-CG2 4.38Å; Y172-T1930 HydrophobicContact CE1-CG2 3.88Å; Y172-T1930 HydrophobicContact CE2-CG2 3.49Å; Y172-T1930 VanDerWaalsContact CE2-CG2 3.49Å; Y172-T1930 WeakPolarHBondContact OH-CA 3.47Å; Y172-T1930 WeakPolarHBondContact OH-CB 3.36Å; Y172-T1930 WeakPolarHBondContact OH-CG2 3.26Å; L471-T1930 VanDerWaalsContact CD1-C 3.48Å; Y472-T1930 HydrophobicContact CE1-CG2 3.56Å; Y472-T1930 WeakPolarHBondContact OH-CG2 3.2Å; T1930-S1959 VanDerWaalsContact O-CB 3.26Å; T1930-S1959 WeakPolarHBondContact O-CB 3.32Å; T1930-S1959 PolarHBondContact O-OG 2.83Å; T1930-N1960 PolarHBondContact N-OD1 2.74Å; T1930-N1960 WeakPolarHBondContact OG1-CA 3.38Å; T1930-N1960 WeakPolarHBondContact OG1-CB 3.27Å; T1930-N1960 PolarHBondContact OG1-N 2.96Å; T1930-N1960 PolarHBondContact OG1-OD1 2.7Å | ||
| 1931 | L | 80.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -149.5 | 152 | 162.5 | -117.1 | 45.2 | 0 | 0 | 0 | 108.4 | Y172 L421 V433 T467 L471 I1966 V2018 N2020 I2025 | Y172-L1931 WeakPolarHBondContact CE1-O 3.25Å; Y172-L1931 PolarHBondContact OH-N 2.9Å; Y172-L1931 PolarHBondContact OH-O 3.04Å; L421-L1931 HydrophobicContact CD1-CD2 4.08Å; L421-L1931 HydrophobicContact CD2-CD2 3.69Å; V433-L1931 HydrophobicContact CG1-CB 4.38Å; V433-L1931 HydrophobicContact CG1-CD1 3.45Å; V433-L1931 VanDerWaalsContact CG1-CD1 3.45Å; V433-L1931 HydrophobicContact CG1-CG 3.54Å; T467-L1931 CarbonylContact C-O 3.59Å; T467-L1931 WeakPolarHBondContact CB-O 3.26Å; T467-L1931 HydrophobicContact CG2-CB 3.32Å; T467-L1931 HydrophobicContact CG2-CD2 4.24Å; T467-L1931 HydrophobicContact CG2-CG 4.33Å; T467-L1931 WeakPolarHBondContact CG2-O 3.34Å; T467-L1931 VanDerWaalsContact O-O 3.06Å; L471-L1931 HydrophobicContact CD1-CB 3.35Å; L471-L1931 HydrophobicContact CD1-CD1 3.74Å; L471-L1931 HydrophobicContact CD1-CD2 3.74Å; L471-L1931 HydrophobicContact CD1-CG 3.77Å; L1931-I1966 HydrophobicContact CD1-CG1 3.57Å; L1931-I1966 HydrophobicContact CD1-CG2 4.23Å; L1931-I1966 HydrophobicContact CD2-CG2 4.47Å; L1931-V2018 HydrophobicContact CD2-CB 4.1Å; L1931-V2018 HydrophobicContact CD2-CG1 3.95Å; L1931-V2018 HydrophobicContact CG-CG1 4.46Å; L1931-N2020 HydrophobicContact CD1-CB 3.84Å; L1931-N2020 HydrophobicContact CD2-CB 4.49Å; L1931-I2025 HydrophobicContact CD2-CD1 4.48Å | ||
| 1932 | E | 75.2 | Confident | 73.7 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | trans | -130.8 | -132.1 | 152.3 | -103.8 | 127.7 | 76.1 | 0 | 0 | 104.4 | Y172 V433 E435 N436 K468 I2025 | Y172-E1932 HydrophobicContact CD1-CB 3.71Å; Y172-E1932 HydrophobicContact CD1-CG 4Å; Y172-E1932 VanDerWaalsContact CD1-OE1 3.28Å; Y172-E1932 WeakPolarHBondContact CD1-OE1 3.34Å; Y172-E1932 WeakPolarHBondContact CD2-OE1 3.29Å; Y172-E1932 HydrophobicContact CE1-CB 3.87Å; Y172-E1932 HydrophobicContact CE1-CG 3.91Å; Y172-E1932 WeakPolarHBondContact CE1-OE2 3.42Å; Y172-E1932 WeakPolarHBondContact CE2-OE2 3.27Å; Y172-E1932 PolarHBondContact OH-OE2 3Å; V433-E1932 CarbonylContact C-O 3.58Å; V433-E1932 WeakPolarHBondContact CA-O 3.31Å; V433-E1932 CarbonylContact O-C 3.6Å; V433-E1932 PolarHBondContact O-N 2.96Å; E435-E1932 CarbonylContact O-C 3.56Å; E435-E1932 WeakPolarHBondContact O-CA 3.16Å; E435-E1932 WeakPolarHBondContact O-CB 2.98Å; E435-E1932 WeakPolarHBondContact O-CG 3.24Å; N436-E1932 HydrophobicContact CB-CG 4.16Å; N436-E1932 VanDerWaalsContact CG-CD 3.49Å; N436-E1932 VanDerWaalsContact CG-CG 3.49Å; N436-E1932 VanDerWaalsContact ND2-CG 3.3Å; N436-E1932 WeakPolarHBondContact ND2-CG 3.49Å; N436-E1932 PolarHBondContact ND2-OE1 3.26Å; N436-E1932 PolarHBondContact ND2-OE2 2.58Å; N436-E1932 PolarHBondContact OD1-OE2 2.62Å; K468-E1932 VanDerWaalsContact CE-OE2 3.23Å; K468-E1932 WeakPolarHBondContact CE-OE2 3.47Å; K468-E1932 WeakPolarHBondContact CG-OE2 3.31Å; K468-E1932 IonicContact NZ-OE1 2.74Å; K468-E1932 PolarHBondContact NZ-OE1 3.16Å; K468-E1932 IonicContact NZ-OE2 2.6Å; K468-E1932 PolarHBondContact NZ-OE2 3.4Å; E1932-I2025 WeakPolarHBondContact O-CD1 3.27Å | ||
| 1933 | M | 78.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | cis | 82.4 | 33.5 | -20.8 | -100.5 | -76.8 | -54 | 0 | 0 | 136.1 | F431 P432 V433 G434 E435 L437 S498 Q1935 V2018 Q2028 | F431-M1933 VanDerWaalsContact C-SD 3.52Å; F431-M1933 WeakPolarHBondContact CA-SD 3.33Å; F431-M1933 HydrophobicContact CB-CG 3.6Å; F431-M1933 HydrophobicContact CB-SD 3.71Å; F431-M1933 HydrophobicContact CD1-CE 4.14Å; F431-M1933 HydrophobicContact CD1-SD 3.9Å; F431-M1933 HydrophobicContact CE1-CE 4.48Å; F431-M1933 HydrophobicContact CG-CG 4.07Å; F431-M1933 HydrophobicContact CG-SD 3.99Å; P432-M1933 HydrophobicContact CB-CB 4.38Å; P432-M1933 HydrophobicContact CB-CG 3.9Å; P432-M1933 HydrophobicContact CB-SD 3.24Å; P432-M1933 WeakPolarHBondContact CB-SD 3.48Å; P432-M1933 WeakPolarHBondContact CD-SD 3.3Å; P432-M1933 HydrophobicContact CG-CE 4.42Å; P432-M1933 HydrophobicContact CG-CG 4.38Å; P432-M1933 HydrophobicContact CG-SD 3.16Å; P432-M1933 WeakPolarHBondContact CG-SD 3.25Å; P432-M1933 WeakPolarHBondContact O-CA 3.35Å; P432-M1933 WeakPolarHBondContact O-CG 3.39Å; P432-M1933 PolarHBondContact O-N 2.86Å; V433-M1933 VanDerWaalsContact N-CA 3.29Å; V433-M1933 VanDerWaalsContact N-N 3.1Å; G434-M1933 CarbonylContact C-O 3.59Å; G434-M1933 VanDerWaalsContact CA-C 3.45Å; E435-M1933 HydrophobicContact CB-CB 3.64Å; E435-M1933 HydrophobicContact CB-CE 4.49Å; E435-M1933 HydrophobicContact CG-CB 3.69Å; E435-M1933 HydrophobicContact CG-CE 3.39Å; E435-M1933 WeakPolarHBondContact CG-O 3.37Å; E435-M1933 PolarHBondContact N-O 2.84Å; E435-M1933 WeakPolarHBondContact O-CB 3.17Å; E435-M1933 PolarHBondContact O-N 3.35Å; E435-M1933 WeakPolarHBondContact OE1-CE 3.48Å; L437-M1933 HydrophobicContact CD1-CB 4.06Å; L437-M1933 HydrophobicContact CD1-CG 3.71Å; L437-M1933 HydrophobicContact CD2-CB 3.19Å; L437-M1933 HydrophobicContact CD2-CG 3.65Å; L437-M1933 HydrophobicContact CG-CB 4Å; L437-M1933 HydrophobicContact CG-CG 4.2Å; S498-M1933 WeakPolarHBondContact OG-CE 3.34Å; M1933-Q1935 VanDerWaalsContact C-N 3.32Å; M1933-Q1935 WeakPolarHBondContact CE-O 3.14Å; M1933-Q1935 PolarHBondContact O-N 3.15Å; M1933-Q1935 VanDerWaalsContact O-O 3.1Å; M1933-V2018 HydrophobicContact CG-CG2 4.26Å; M1933-Q2028 HydrophobicContact CE-CG 3.4Å; M1933-Q2028 VanDerWaalsContact CE-CG 3.4Å; M1933-Q2028 HydrophobicContact CG-CG 3.67Å; M1933-Q2028 HydrophobicContact SD-CG 3.66Å | ||
| 1934 | L | 61.7 | Low | 73.8 | Confident | 40 Ų | 40 | 20.4 Ų | 20.4 | 21% | 0.209 | 10% | 0.104 | C | C | . | . | trans | -85.6 | 41.7 | -157.7 | -138.1 | 176.4 | 0 | 0 | 0 | 117 | P432 G434 M1956 A1957 E1958 | P432-L1934 VanDerWaalsContact CB-N 3.3Å; G434-L1934 VanDerWaalsContact CA-CB 3.42Å; L1934-M1956 HydrophobicContact CB-CE 4.11Å; L1934-M1956 WeakPolarHBondContact CB-O 3.39Å; L1934-M1956 HydrophobicContact CD1-CE 4.47Å; L1934-M1956 HydrophobicContact CD2-CE 4.31Å; L1934-M1956 PolarHBondContact N-O 2.92Å; L1934-M1956 VanDerWaalsContact N-O 3.1Å; L1934-M1956 WeakPolarHBondContact O-CE 3.2Å; L1934-A1957 HydrophobicContact CB-CB 3.47Å; L1934-A1957 VanDerWaalsContact CB-CB 3.47Å; L1934-A1957 HydrophobicContact CD1-CB 4.15Å; L1934-A1957 HydrophobicContact CG-CB 4.46Å; L1934-E1958 HydrophobicContact CD1-CB 4.31Å | ||
| 1935 | Q | 59.3 | Low | 73.7 | Confident | 52 Ų | 52 | 21.2 Ų | 21.2 | 24% | 0.243 | 11% | 0.108 | C | C | . | . | trans | 174.9 | 159.6 | 179 | -157.7 | 96.7 | -0.2 | 0 | 0 | 103.1 | P432 M1933 E1953 | P432-Q1935 HydrophobicContact CB-CB 4.25Å; P432-Q1935 VanDerWaalsContact CB-O 3.23Å; P432-Q1935 WeakPolarHBondContact CB-O 3.49Å; P432-Q1935 HydrophobicContact CG-CB 3.9Å; P432-Q1935 WeakPolarHBondContact CG-O 3.4Å; M1933-Q1935 VanDerWaalsContact C-N 3.32Å; M1933-Q1935 WeakPolarHBondContact CE-O 3.14Å; M1933-Q1935 PolarHBondContact O-N 3.15Å; M1933-Q1935 VanDerWaalsContact O-O 3.1Å; Q1935-E1953 WeakPolarHBondContact CG-O 3.27Å; Q1935-E1953 PolarHBondContact NE2-O 2.84Å | ||
| 1936 | S | 55.4 | Low | 73.4 | Confident | 9 Ų | 9 | 25.5 Ų | 25.5 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | -168.1 | 143.8 | 114.2 | 109.3 | 0 | 0 | 0 | 0 | 109.2 | T395 S498 H1954 | T395-S1936 WeakPolarHBondContact CG2-OG 3.43Å; S498-S1936 WeakPolarHBondContact CB-OG 3.28Å; S498-S1936 WeakPolarHBondContact OG-CB 3.44Å; S498-S1936 PolarHBondContact OG-O 3.11Å; S498-S1936 PolarHBondContact OG-OG 3.29Å; S1936-H1954 WeakPolarHBondContact CB-O 3.5Å | |||
| 1937 | S | 55 | Low | 73.4 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 25% | 0.245 | 13% | 0.126 | C | C | . | . | trans | -149.7 | 133.6 | -151.3 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | I1939 E1953 H1954 V2030 | S1937-I1939 PolarHBondContact O-N 3.24Å; S1937-E1953 PolarHBondContact OG-O 2.88Å; S1937-H1954 PolarHBondContact O-CD2 2.72Å; S1937-H1954 WeakPolarHBondContact OG-CA 3.48Å; S1937-V2030 VanDerWaalsContact C-CG2 3.44Å; S1937-V2030 WeakPolarHBondContact O-CG1 3.31Å | ||
| 1938 | I | 69.8 | Low | 73.8 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 15% | 0.149 | 13% | 0.126 | C | C | . | . | trans | -45.4 | 119.7 | -174.7 | -64.6 | 178.3 | 0 | 0 | 0 | 110.6 | A501 Y1940 V2030 S2031 W2033 | A501-I1938 HydrophobicContact CB-CD1 4.14Å; A501-I1938 HydrophobicContact CB-CG1 3.52Å; I1938-Y1940 VanDerWaalsContact C-N 3.28Å; I1938-Y1940 HydrophobicContact CB-CD2 4Å; I1938-Y1940 HydrophobicContact CB-CE1 4.43Å; I1938-Y1940 HydrophobicContact CB-CE2 3.49Å; I1938-Y1940 VanDerWaalsContact CB-CE2 3.49Å; I1938-Y1940 HydrophobicContact CG2-CD1 3.95Å; I1938-Y1940 HydrophobicContact CG2-CD2 3.88Å; I1938-Y1940 HydrophobicContact CG2-CE1 3.57Å; I1938-Y1940 HydrophobicContact CG2-CE2 3.52Å; I1938-Y1940 HydrophobicContact CG2-CG 4.1Å; I1938-Y1940 WeakPolarHBondContact O-CD2 3.12Å; I1938-Y1940 PolarHBondContact O-N 3.04Å; I1938-V2030 HydrophobicContact CG1-CG2 4.48Å; I1938-S2031 WeakPolarHBondContact CG2-O 3.5Å; I1938-W2033 HydrophobicContact CG2-CG 4.23Å | ||
| 1939 | I | 77.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -75.1 | 85 | -178.6 | -58.6 | 148.9 | 0 | 0 | 0 | 107.9 | S1937 V1948 I1950 H1954 F2014 V2030 I2032 W2033 | S1937-I1939 PolarHBondContact O-N 3.24Å; I1939-V1948 HydrophobicContact CG2-CG1 3.89Å; I1939-I1950 HydrophobicContact CD1-CD1 4.12Å; I1939-I1950 HydrophobicContact CD1-CG1 3.73Å; I1939-I1950 HydrophobicContact CD1-CG2 4.29Å; I1939-I1950 HydrophobicContact CG1-CG1 4.17Å; I1939-I1950 HydrophobicContact CG2-CG1 4.4Å; I1939-H1954 WeakPolarHBondContact CG1-ND1 3.16Å; I1939-F2014 HydrophobicContact CD1-CE1 3.76Å; I1939-F2014 HydrophobicContact CD1-CZ 3.52Å; I1939-V2030 HydrophobicContact CB-CG1 4.3Å; I1939-V2030 HydrophobicContact CD1-CG1 3.78Å; I1939-V2030 HydrophobicContact CG1-CG1 3.71Å; I1939-V2030 VanDerWaalsContact N-CG1 3.28Å; I1939-I2032 HydrophobicContact CB-CB 4.34Å; I1939-I2032 HydrophobicContact CB-CG1 4.17Å; I1939-I2032 HydrophobicContact CB-CG2 4.07Å; I1939-I2032 HydrophobicContact CD1-CG1 3.87Å; I1939-I2032 HydrophobicContact CG2-CG1 4.39Å; I1939-I2032 HydrophobicContact CG2-CG2 3.77Å; I1939-I2032 CarbonylContact O-C 3.57Å; I1939-I2032 WeakPolarHBondContact O-CA 3.48Å; I1939-I2032 WeakPolarHBondContact O-CG2 3.44Å; I1939-W2033 PolarHBondContact O-N 3.46Å | ||
| 1940 | Y | 78 | Confident | 74.2 | Confident | 122 Ų | 122 | 25.9 Ų | 25.9 | 48% | 0.478 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.8 | 175 | -69.2 | -68.1 | 0 | 0 | 0 | 110.4 | I1938 W2033 L2035 | I1938-Y1940 VanDerWaalsContact C-N 3.28Å; I1938-Y1940 HydrophobicContact CB-CD2 4Å; I1938-Y1940 HydrophobicContact CB-CE1 4.43Å; I1938-Y1940 HydrophobicContact CB-CE2 3.49Å; I1938-Y1940 VanDerWaalsContact CB-CE2 3.49Å; I1938-Y1940 HydrophobicContact CG2-CD1 3.95Å; I1938-Y1940 HydrophobicContact CG2-CD2 3.88Å; I1938-Y1940 HydrophobicContact CG2-CE1 3.57Å; I1938-Y1940 HydrophobicContact CG2-CE2 3.52Å; I1938-Y1940 HydrophobicContact CG2-CG 4.1Å; I1938-Y1940 WeakPolarHBondContact O-CD2 3.12Å; I1938-Y1940 PolarHBondContact O-N 3.04Å; Y1940-W2033 WeakPolarHBondContact CA-O 3.41Å; Y1940-W2033 HydrophobicContact CD1-CB 3.81Å; Y1940-W2033 HydrophobicContact CE1-CB 3.95Å; Y1940-W2033 HydrophobicContact CE1-CG 4.24Å; Y1940-L2035 HydrophobicContact CD1-CD2 3.7Å; Y1940-L2035 HydrophobicContact CD1-CG 4.08Å; Y1940-L2035 HydrophobicContact CE1-CD2 4.34Å; Y1940-L2035 HydrophobicContact CG-CD2 4.31Å; Y1940-L2035 HydrophobicContact CG-CG 4.37Å |
| 1941 | Y | 80.2 | Confident | 73.8 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.9 | 174.9 | 75.7 | -75.1 | 0 | 0 | 0 | 113.2 | D1945 V1948 P2004 I2032 W2033 V2034 L2035 Q2137 | Y1941-D1945 HydrophobicContact CD2-CB 4.11Å; Y1941-D1945 WeakPolarHBondContact CE2-O 3.31Å; Y1941-V1948 HydrophobicContact CD1-CG1 4.5Å; Y1941-V1948 HydrophobicContact CD1-CG2 3.67Å; Y1941-V1948 HydrophobicContact CD2-CG2 3.19Å; Y1941-V1948 HydrophobicContact CE1-CG2 3.93Å; Y1941-V1948 HydrophobicContact CE2-CG2 3.44Å; Y1941-V1948 VanDerWaalsContact CE2-CG2 3.44Å; Y1941-V1948 HydrophobicContact CG-CB 4.31Å; Y1941-V1948 HydrophobicContact CG-CG1 4.06Å; Y1941-V1948 HydrophobicContact CG-CG2 3.26Å; Y1941-P2004 HydrophobicContact CE2-CG 4.47Å; Y1941-I2032 HydrophobicContact CD1-CG2 3.57Å; Y1941-I2032 HydrophobicContact CE1-CG2 3.38Å; Y1941-W2033 WeakPolarHBondContact CD1-O 3.37Å; Y1941-W2033 PolarHBondContact N-O 2.72Å; Y1941-V2034 HydrophobicContact CD1-CG2 4.44Å; Y1941-V2034 HydrophobicContact CE1-CB 4.46Å; Y1941-V2034 HydrophobicContact CE1-CG2 3.62Å; Y1941-V2034 HydrophobicContact CE2-CG2 4.39Å; Y1941-V2034 CarbonylContact O-C 3.48Å; Y1941-V2034 WeakPolarHBondContact O-CA 3.22Å; Y1941-L2035 PolarHBondContact O-N 3.46Å; Y1941-Q2137 VanDerWaalsContact CZ-NE2 3.29Å; Y1941-Q2137 PolarHBondContact OH-NE2 2.89Å |
| 1942 | P | 79.5 | Confident | 73.5 | Confident | 38 Ų | 38 | 25.9 Ų | 25.9 | 25% | 0.247 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 141.6 | 175.2 | -26 | 36.9 | 0 | 0 | 0 | 113.3 | T1944 D1945 L2035 | P1942-T1944 WeakPolarHBondContact CB-OG1 3.25Å; P1942-T1944 PolarHBondContact O-N 2.93Å; P1942-D1945 PolarHBondContact O-N 2.8Å; P1942-L2035 CarbonylContact C-O 3.47Å; P1942-L2035 WeakPolarHBondContact CA-O 3.46Å |
| 1943 | Q | 83.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.6 | 172.8 | 69.4 | 166.6 | 29.2 | 0 | 0 | 115.1 | D1945 V2034 L2035 A2037 L2136 Q2137 A2139 | Q1943-D1945 VanDerWaalsContact C-N 3.34Å; Q1943-V2034 VanDerWaalsContact CA-CG1 3.41Å; Q1943-V2034 HydrophobicContact CB-CG1 3.5Å; Q1943-L2035 PolarHBondContact N-O 2.74Å; Q1943-A2037 HydrophobicContact CG-CB 3.65Å; Q1943-L2136 HydrophobicContact CG-CD1 4.18Å; Q1943-L2136 VanDerWaalsContact NE2-CD1 3.25Å; Q1943-Q2137 HydrophobicContact CB-CG 4.47Å; Q1943-A2139 HydrophobicContact CB-CB 3.85Å; Q1943-A2139 HydrophobicContact CG-CB 4.48Å |
| 1944 | T | 75.8 | Confident | 72.6 | Confident | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -30.6 | 174.2 | 36.4 | 0 | 0 | 0 | 0 | 111 | N340 T342 P1942 A2037 L2136 | N340-T1944 VanDerWaalsContact OD1-CB 3.23Å; N340-T1944 WeakPolarHBondContact OD1-CB 3.17Å; N340-T1944 PolarHBondContact OD1-O 3.26Å; N340-T1944 VanDerWaalsContact OD1-O 3.05Å; T342-T1944 WeakPolarHBondContact CG2-O 3.46Å; P1942-T1944 WeakPolarHBondContact CB-OG1 3.25Å; P1942-T1944 PolarHBondContact O-N 2.93Å; T1944-A2037 HydrophobicContact CG2-CB 3.78Å; T1944-L2136 HydrophobicContact CG2-CD1 4.44Å |
| 1945 | D | 75.9 | Confident | 73.5 | Confident | 17 Ų | 17 | 25.1 Ų | 25.1 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | trans | -83.4 | 138.2 | 178.1 | -76.1 | -73.9 | 0 | 0 | 0 | 112.9 | L343 T344 Y1941 P1942 Q1943 | L343-D1945 PolarHBondContact N-OD1 3.3Å; T344-D1945 PolarHBondContact N-OD1 2.88Å; T344-D1945 WeakPolarHBondContact OG1-CB 3.07Å; T344-D1945 VanDerWaalsContact OG1-CG 3.31Å; T344-D1945 PolarHBondContact OG1-OD1 3.07Å; Y1941-D1945 HydrophobicContact CD2-CB 4.11Å; Y1941-D1945 WeakPolarHBondContact CE2-O 3.31Å; P1942-D1945 PolarHBondContact O-N 2.8Å; Q1943-D1945 VanDerWaalsContact C-N 3.34Å | ||
| 1946 | R | 73.8 | Confident | 74.4 | Confident | 134 Ų | 134 | 24.7 Ų | 24.7 | 51% | 0.506 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -104.7 | 7.1 | 175 | -63 | 171.6 | -167.5 | 131.9 | -0.7 | 113.1 | T342 P2004 M2007 | T342-R1946 HydrophobicContact CG2-CB 4.15Å; T342-R1946 HydrophobicContact CG2-CG 3.74Å; R1946-P2004 VanDerWaalsContact O-CD 3.24Å; R1946-P2004 WeakPolarHBondContact O-CD 3.4Å; R1946-P2004 WeakPolarHBondContact O-CG 3.4Å; R1946-M2007 HydrophobicContact CG-CE 4.29Å |
| 1947 | Q | 77.5 | Confident | 75.6 | Confident | 26 Ų | 26 | 24.6 Ų | 24.6 | 12% | 0.121 | 12% | 0.116 | C | C | . | . | trans | -165 | 128.8 | -176.5 | 60.5 | 179.6 | 15.7 | 0 | 0 | 110.9 | S227 T342 T344 R345 Y2002 K2003 | S227-Q1947 PolarHBondContact OG-NE2 3.05Å; T342-Q1947 VanDerWaalsContact O-CD 3.29Å; T342-Q1947 WeakPolarHBondContact O-CG 3.32Å; T342-Q1947 PolarHBondContact O-NE2 3.11Å; T344-Q1947 CarbonylContact C-O 3.45Å; T344-Q1947 VanDerWaalsContact CA-O 3.3Å; T344-Q1947 WeakPolarHBondContact CA-O 3.24Å; T344-Q1947 WeakPolarHBondContact CB-O 2.87Å; T344-Q1947 PolarHBondContact N-O 2.96Å; T344-Q1947 PolarHBondContact OG1-O 3.44Å; R345-Q1947 HydrophobicContact CB-CB 4.08Å; R345-Q1947 HydrophobicContact CB-CG 3.75Å; R345-Q1947 VanDerWaalsContact CD-CB 3.48Å; R345-Q1947 VanDerWaalsContact CD-OE1 3.29Å; R345-Q1947 HydrophobicContact CG-CB 3.62Å; R345-Q1947 HydrophobicContact CG-CG 3.9Å; R345-Q1947 PolarHBondContact N-O 3.25Å; Q1947-Y2002 CarbonylContact C-O 3.54Å; Q1947-K2003 HydrophobicContact CB-CB 4.29Å | ||
| 1948 | V | 79.8 | Confident | 76.6 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 159.9 | -166.8 | -155.1 | 0 | 0 | 0 | 0 | 110.1 | T344 I1939 Y1941 Y2002 | T344-V1948 CarbonylContact O-C 3.53Å; T344-V1948 WeakPolarHBondContact O-CA 3.13Å; I1939-V1948 HydrophobicContact CG2-CG1 3.89Å; Y1941-V1948 HydrophobicContact CD1-CG1 4.5Å; Y1941-V1948 HydrophobicContact CD1-CG2 3.67Å; Y1941-V1948 HydrophobicContact CD2-CG2 3.19Å; Y1941-V1948 HydrophobicContact CE1-CG2 3.93Å; Y1941-V1948 HydrophobicContact CE2-CG2 3.44Å; Y1941-V1948 VanDerWaalsContact CE2-CG2 3.44Å; Y1941-V1948 HydrophobicContact CG-CB 4.31Å; Y1941-V1948 HydrophobicContact CG-CG1 4.06Å; Y1941-V1948 HydrophobicContact CG-CG2 3.26Å; V1948-Y2002 HydrophobicContact CB-CD1 3.77Å; V1948-Y2002 HydrophobicContact CB-CE1 4.46Å; V1948-Y2002 HydrophobicContact CG2-CD1 3.73Å; V1948-Y2002 HydrophobicContact CG2-CE1 3.94Å; V1948-Y2002 PolarHBondContact N-O 2.92Å; V1948-Y2002 CarbonylContact O-C 3.31Å; V1948-Y2002 VanDerWaalsContact O-CA 3.23Å; V1948-Y2002 WeakPolarHBondContact O-CA 3.32Å; V1948-Y2002 VanDerWaalsContact O-CB 3.24Å; V1948-Y2002 WeakPolarHBondContact O-CB 3.39Å; V1948-Y2002 PolarHBondContact O-N 3.49Å |
| 1949 | V | 79.8 | Confident | 77 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.2 | -174.2 | 155.5 | 0 | 0 | 0 | 0 | 113.3 | P195 M196 T344 R345 S346 H1954 I2000 V2001 | P195-V1949 VanDerWaalsContact C-CG1 3.41Å; P195-V1949 HydrophobicContact CB-CG1 3.15Å; P195-V1949 WeakPolarHBondContact O-CG1 3.44Å; M196-V1949 HydrophobicContact CG-CG1 4.1Å; T344-V1949 WeakPolarHBondContact O-CB 3.19Å; T344-V1949 WeakPolarHBondContact O-CG2 3.44Å; T344-V1949 PolarHBondContact O-N 3.03Å; R345-V1949 HydrophobicContact CB-CG2 4.12Å; R345-V1949 HydrophobicContact CG-CG2 3.85Å; S346-V1949 VanDerWaalsContact O-CG1 3.24Å; S346-V1949 WeakPolarHBondContact O-CG1 3.44Å; S346-V1949 WeakPolarHBondContact O-CG2 3.41Å; S346-V1949 VanDerWaalsContact OG-CG1 3.22Å; S346-V1949 WeakPolarHBondContact OG-CG1 3.42Å; V1949-H1954 PolarHBondContact O-CE1 2.98Å; V1949-H1954 PolarHBondContact O-ND1 2.83Å; V1949-I2000 WeakPolarHBondContact CG1-O 3.33Å; V1949-I2000 WeakPolarHBondContact CG2-O 3.34Å; V1949-V2001 HydrophobicContact CG2-CB 4.36Å; V1949-V2001 HydrophobicContact CG2-CG2 3.79Å |
| 1950 | I | 82.9 | Confident | 77 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -137.5 | 130.8 | -160.7 | -54 | 148.9 | 0 | 0 | 0 | 105.3 | P195 V392 T394 I1939 H1954 L1955 L1979 F2014 | P195-I1950 WeakPolarHBondContact CB-O 3.23Å; P195-I1950 WeakPolarHBondContact CG-O 3.42Å; V392-I1950 HydrophobicContact CB-CB 4.37Å; V392-I1950 HydrophobicContact CG1-CB 3.63Å; V392-I1950 HydrophobicContact CG1-CD1 3.44Å; V392-I1950 VanDerWaalsContact CG1-CD1 3.44Å; V392-I1950 HydrophobicContact CG1-CG1 4.14Å; V392-I1950 HydrophobicContact CG1-CG2 4.04Å; V392-I1950 HydrophobicContact CG2-CB 3.85Å; V392-I1950 HydrophobicContact CG2-CG2 3.86Å; V392-I1950 WeakPolarHBondContact CG2-O 3.23Å; T394-I1950 WeakPolarHBondContact O-CG2 3.16Å; I1939-I1950 HydrophobicContact CD1-CD1 4.12Å; I1939-I1950 HydrophobicContact CD1-CG1 3.73Å; I1939-I1950 HydrophobicContact CD1-CG2 4.29Å; I1939-I1950 HydrophobicContact CG1-CG1 4.17Å; I1939-I1950 HydrophobicContact CG2-CG1 4.4Å; I1950-H1954 HydrophobicContact CG2-CB 3.97Å; I1950-L1955 HydrophobicContact CG2-CB 4.41Å; I1950-L1955 HydrophobicContact CG2-CD1 4.12Å; I1950-L1955 HydrophobicContact CG2-CD2 3.9Å; I1950-L1955 HydrophobicContact CG2-CG 4.39Å; I1950-L1979 HydrophobicContact CD1-CD1 4.13Å; I1950-L1979 HydrophobicContact CD1-CD2 4.21Å; I1950-F2014 HydrophobicContact CD1-CE1 4.43Å; I1950-F2014 HydrophobicContact CD1-CE2 3.47Å; I1950-F2014 VanDerWaalsContact CD1-CE2 3.47Å; I1950-F2014 HydrophobicContact CD1-CZ 3.31Å; I1950-F2014 HydrophobicContact CG1-CZ 4.24Å | ||
| 1951 | A | 71 | Confident | 76.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -172.4 | -164.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P194 P195 M196 E1953 H1954 L1955 I1995 | P194-A1951 HydrophobicContact CB-CB 3.82Å; P195-A1951 VanDerWaalsContact C-CB 3.43Å; P195-A1951 HydrophobicContact CB-CB 3.62Å; P195-A1951 HydrophobicContact CG-CB 3.6Å; M196-A1951 HydrophobicContact CB-CB 3.62Å; M196-A1951 HydrophobicContact CG-CB 3.53Å; M196-A1951 HydrophobicContact SD-CB 4.03Å; M196-A1951 PolarHBondContact SD-N 2.6Å; M196-A1951 VanDerWaalsContact SD-N 3.35Å; A1951-E1953 VanDerWaalsContact C-N 3.27Å; A1951-E1953 PolarHBondContact O-N 3.1Å; A1951-H1954 CarbonylContact O-C 3.43Å; A1951-H1954 WeakPolarHBondContact O-CA 3.28Å; A1951-H1954 VanDerWaalsContact O-CB 3.31Å; A1951-H1954 WeakPolarHBondContact O-CB 3.47Å; A1951-H1954 PolarHBondContact O-N 3.21Å; A1951-L1955 WeakPolarHBondContact O-CA 3.4Å; A1951-L1955 WeakPolarHBondContact O-CB 3.42Å; A1951-L1955 PolarHBondContact O-N 3.4Å; A1951-I1995 HydrophobicContact CB-CG2 4.4Å | ||
| 1952 | S | 73 | Confident | 76.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.2 | -156.6 | -53.1 | 0 | 0 | 0 | 0 | 118.2 | V371 L1955 M1956 I1995 | V371-S1952 VanDerWaalsContact CB-CB 3.45Å; V371-S1952 VanDerWaalsContact CG1-CB 3.47Å; S1952-L1955 VanDerWaalsContact C-N 3.27Å; S1952-L1955 VanDerWaalsContact CA-O 3.27Å; S1952-L1955 WeakPolarHBondContact CA-O 3.15Å; S1952-L1955 VanDerWaalsContact CB-O 3.32Å; S1952-L1955 WeakPolarHBondContact CB-O 3.4Å; S1952-L1955 PolarHBondContact O-N 2.81Å; S1952-L1955 VanDerWaalsContact O-N 3.12Å; S1952-L1955 PolarHBondContact OG-O 2.79Å; S1952-M1956 WeakPolarHBondContact O-CB 3.43Å; S1952-M1956 PolarHBondContact O-N 3.17Å; S1952-I1995 VanDerWaalsContact OG-CG2 3.27Å; S1952-I1995 WeakPolarHBondContact OG-CG2 3.46Å |
| 1953 | E | 61.8 | Low | 75.5 | Confident | 18 Ų | 18 | 22.8 Ų | 22.8 | 8% | 0.084 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.5 | 161.8 | 60.5 | 170.6 | 162.5 | 0 | 0 | 116.1 | M196 R329 Q1935 S1937 A1951 | M196-E1953 HydrophobicContact CB-CG 3.73Å; M196-E1953 HydrophobicContact CE-CG 3.55Å; M196-E1953 HydrophobicContact SD-CG 3.88Å; R329-E1953 IonicContact CZ-OE2 2.87Å; R329-E1953 IonicContact NE-OE2 3.74Å; R329-E1953 PolarHBondContact NE-OE2 3.18Å; R329-E1953 IonicContact NH2-OE2 2.82Å; R329-E1953 PolarHBondContact NH2-OE2 2.99Å; Q1935-E1953 WeakPolarHBondContact CG-O 3.27Å; Q1935-E1953 PolarHBondContact NE2-O 2.84Å; S1937-E1953 PolarHBondContact OG-O 2.88Å; A1951-E1953 VanDerWaalsContact C-N 3.27Å; A1951-E1953 PolarHBondContact O-N 3.1Å |
| 1954 | H | 74.1 | Confident | 75.1 | Confident | 17 Ų | 17 | 27 Ų | 27 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -17.6 | 146.7 | -58.8 | 151.6 | 0 | 0 | 0 | 113.3 | M196 S1936 S1937 I1939 V1949 I1950 A1951 | M196-H1954 WeakPolarHBondContact CE-CE1 3.15Å; M196-H1954 VanDerWaalsContact CE-NE2 3.32Å; M196-H1954 WeakPolarHBondContact CE-NE2 3.37Å; M196-H1954 HydrophobicContact SD-CB 3.98Å; M196-H1954 PolarHBondContact SD-CE1 3.26Å; M196-H1954 PolarHBondContact SD-ND1 3.19Å; S1936-H1954 WeakPolarHBondContact CB-O 3.5Å; S1937-H1954 PolarHBondContact O-CD2 2.72Å; S1937-H1954 WeakPolarHBondContact OG-CA 3.48Å; I1939-H1954 WeakPolarHBondContact CG1-ND1 3.16Å; V1949-H1954 PolarHBondContact O-CE1 2.98Å; V1949-H1954 PolarHBondContact O-ND1 2.83Å; I1950-H1954 HydrophobicContact CG2-CB 3.97Å; A1951-H1954 CarbonylContact O-C 3.43Å; A1951-H1954 WeakPolarHBondContact O-CA 3.28Å; A1951-H1954 VanDerWaalsContact O-CB 3.31Å; A1951-H1954 WeakPolarHBondContact O-CB 3.47Å; A1951-H1954 PolarHBondContact O-N 3.21Å |
| 1955 | L | 79.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -156.6 | 51 | -145.9 | -136.3 | 79.1 | 0 | 0 | 0 | 120.6 | V392 T395 A430 P432 I1950 A1951 S1952 F1990 I1995 | V392-L1955 HydrophobicContact CB-CD2 4.18Å; V392-L1955 HydrophobicContact CG2-CD2 3.3Å; T395-L1955 HydrophobicContact CG2-CD1 3.59Å; A430-L1955 WeakPolarHBondContact O-CD1 3.48Å; A430-L1955 WeakPolarHBondContact O-CD2 3.26Å; A430-L1955 WeakPolarHBondContact O-CG 3.3Å; P432-L1955 VanDerWaalsContact CD-C 3.47Å; P432-L1955 VanDerWaalsContact CD-CD1 3.48Å; P432-L1955 HydrophobicContact CG-CB 4.43Å; P432-L1955 HydrophobicContact CG-CD1 4.43Å; P432-L1955 HydrophobicContact CG-CG 4.49Å; I1950-L1955 HydrophobicContact CG2-CB 4.41Å; I1950-L1955 HydrophobicContact CG2-CD1 4.12Å; I1950-L1955 HydrophobicContact CG2-CD2 3.9Å; I1950-L1955 HydrophobicContact CG2-CG 4.39Å; A1951-L1955 WeakPolarHBondContact O-CA 3.4Å; A1951-L1955 WeakPolarHBondContact O-CB 3.42Å; A1951-L1955 PolarHBondContact O-N 3.4Å; S1952-L1955 VanDerWaalsContact C-N 3.27Å; S1952-L1955 VanDerWaalsContact CA-O 3.27Å; S1952-L1955 WeakPolarHBondContact CA-O 3.15Å; S1952-L1955 VanDerWaalsContact CB-O 3.32Å; S1952-L1955 WeakPolarHBondContact CB-O 3.4Å; S1952-L1955 PolarHBondContact O-N 2.81Å; S1952-L1955 VanDerWaalsContact O-N 3.12Å; S1952-L1955 PolarHBondContact OG-O 2.79Å; L1955-F1990 HydrophobicContact CD2-CE2 4.21Å; L1955-F1990 HydrophobicContact CD2-CZ 4.31Å; L1955-I1995 HydrophobicContact CB-CG2 3.81Å; L1955-I1995 HydrophobicContact CD2-CD1 3.98Å; L1955-I1995 HydrophobicContact CD2-CG1 4.47Å; L1955-I1995 HydrophobicContact CD2-CG2 3.78Å; L1955-I1995 HydrophobicContact CG-CD1 4.06Å; L1955-I1995 HydrophobicContact CG-CG2 4.16Å; L1955-I1995 WeakPolarHBondContact O-CD1 3.48Å; L1955-I1995 WeakPolarHBondContact O-CG2 3.46Å |
| 1956 | M | 79.2 | Confident | 75.5 | Confident | 42 Ų | 42 | 27.2 Ų | 27.2 | 21% | 0.207 | 14% | 0.136 | C | C | . | . | trans | -125.7 | 146.2 | -163.6 | 178.3 | 176.7 | 72.3 | 0 | 0 | 122.2 | V371 P432 V433 L1934 S1952 | V371-M1956 HydrophobicContact CB-CG 4.38Å; V371-M1956 HydrophobicContact CB-SD 4.11Å; V371-M1956 HydrophobicContact CG1-CB 4.35Å; V371-M1956 HydrophobicContact CG1-CG 3.69Å; V371-M1956 HydrophobicContact CG1-SD 3.88Å; V371-M1956 HydrophobicContact CG2-CB 4.05Å; V371-M1956 HydrophobicContact CG2-CG 3.82Å; V371-M1956 HydrophobicContact CG2-SD 3.29Å; V371-M1956 WeakPolarHBondContact CG2-SD 3.32Å; P432-M1956 CarbonylContact C-O 3.55Å; P432-M1956 WeakPolarHBondContact CA-O 3.1Å; P432-M1956 WeakPolarHBondContact CB-O 3.4Å; V433-M1956 PolarHBondContact N-O 2.86Å; L1934-M1956 HydrophobicContact CB-CE 4.11Å; L1934-M1956 WeakPolarHBondContact CB-O 3.39Å; L1934-M1956 HydrophobicContact CD1-CE 4.47Å; L1934-M1956 HydrophobicContact CD2-CE 4.31Å; L1934-M1956 PolarHBondContact N-O 2.92Å; L1934-M1956 VanDerWaalsContact N-O 3.1Å; L1934-M1956 WeakPolarHBondContact O-CE 3.2Å; S1952-M1956 WeakPolarHBondContact O-CB 3.43Å; S1952-M1956 PolarHBondContact O-N 3.17Å | ||
| 1957 | A | 80.3 | Confident | 76 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | trans | 172.5 | -166.8 | 130.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V433 L1934 Q1992 | V433-A1957 VanDerWaalsContact CB-C 3.5Å; V433-A1957 HydrophobicContact CB-CB 3.41Å; V433-A1957 VanDerWaalsContact CB-CB 3.41Å; V433-A1957 HydrophobicContact CG2-CB 4.3Å; V433-A1957 VanDerWaalsContact O-CB 3.32Å; V433-A1957 WeakPolarHBondContact O-CB 3.31Å; L1934-A1957 HydrophobicContact CB-CB 3.47Å; L1934-A1957 VanDerWaalsContact CB-CB 3.47Å; L1934-A1957 HydrophobicContact CD1-CB 4.15Å; L1934-A1957 HydrophobicContact CG-CB 4.46Å; A1957-Q1992 PolarHBondContact O-OE1 2.97Å | ||
| 1958 | E | 76.5 | Confident | 76.5 | Confident | 51 Ų | 51 | 21.5 Ų | 21.5 | 24% | 0.238 | 12% | 0.116 | C | C | . | . | cis | 116.5 | 17.1 | 7.2 | -128.3 | 74.4 | -8.4 | 0 | 0 | 119.9 | R175 L1934 | R175-E1958 WeakPolarHBondContact CD-OE2 3.41Å; R175-E1958 HydrophobicContact CG-CG 4.45Å; R175-E1958 VanDerWaalsContact CG-OE2 3.26Å; R175-E1958 WeakPolarHBondContact CG-OE2 3.25Å; R175-E1958 IonicContact CZ-OE1 3.13Å; R175-E1958 VanDerWaalsContact CZ-OE1 3.27Å; R175-E1958 IonicContact CZ-OE2 2.77Å; R175-E1958 IonicContact NE-OE1 3.14Å; R175-E1958 PolarHBondContact NE-OE1 3.19Å; R175-E1958 VanDerWaalsContact NE-OE1 3.1Å; R175-E1958 IonicContact NE-OE2 3.82Å; R175-E1958 PolarHBondContact NE-OE2 2.81Å; R175-E1958 IonicContact NH2-OE1 3.15Å; R175-E1958 PolarHBondContact NH2-OE1 3.1Å; R175-E1958 IonicContact NH2-OE2 2.72Å; L1934-E1958 HydrophobicContact CD1-CB 4.31Å | ||
| 1959 | S | 77.2 | Confident | 76.9 | Confident | 14 Ų | 14 | 21.7 Ų | 21.7 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | trans | -57.2 | 153.8 | 162.8 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | T1930 G1961 N2020 | T1930-S1959 VanDerWaalsContact O-CB 3.26Å; T1930-S1959 WeakPolarHBondContact O-CB 3.32Å; T1930-S1959 PolarHBondContact O-OG 2.83Å; S1959-G1961 WeakPolarHBondContact OG-CA 3.29Å; S1959-G1961 PolarHBondContact OG-N 2.88Å; S1959-N2020 PolarHBondContact OG-ND2 2.9Å; S1959-N2020 VanDerWaalsContact OG-ND2 3.07Å | ||
| 1960 | N | 77.4 | Confident | 77.2 | Confident | 39 Ų | 39 | 21.5 Ų | 21.5 | 21% | 0.209 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -74.1 | -15.4 | 163.6 | 79.1 | 0.6 | 0 | 0 | 0 | 112.4 | E171 P1928 L1929 T1930 | E171-N1960 HydrophobicContact CG-CB 4.05Å; E171-N1960 WeakPolarHBondContact CG-ND2 3.31Å; E171-N1960 PolarHBondContact OE1-ND2 3.04Å; P1928-N1960 PolarHBondContact O-ND2 2.72Å; P1928-N1960 VanDerWaalsContact O-ND2 3.1Å; L1929-N1960 VanDerWaalsContact CA-OD1 3.24Å; L1929-N1960 WeakPolarHBondContact CA-OD1 3.4Å; L1929-N1960 WeakPolarHBondContact CD1-OD1 3.35Å; T1930-N1960 PolarHBondContact N-OD1 2.74Å; T1930-N1960 WeakPolarHBondContact OG1-CA 3.38Å; T1930-N1960 WeakPolarHBondContact OG1-CB 3.27Å; T1930-N1960 PolarHBondContact OG1-N 2.96Å; T1930-N1960 PolarHBondContact OG1-OD1 2.7Å |
| 1961 | G | 73.2 | Confident | 77.1 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -82.7 | 172.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1959 | S1959-G1961 WeakPolarHBondContact OG-CA 3.29Å; S1959-G1961 PolarHBondContact OG-N 2.88Å |
| 1962 | P | 67.9 | Low | 77.6 | Confident | 48 Ų | 48 | 23 Ų | 23 | 31% | 0.312 | 12% | 0.123 | S | C | . | . | trans | -62.7 | 135.9 | 178.5 | -19.3 | 31.3 | 0 | 0 | 0 | 112.4 | Q1964 Q1965 I1966 | P1962-Q1964 PolarHBondContact O-N 2.85Å; P1962-Q1965 HydrophobicContact CB-CG 4.13Å; P1962-Q1965 HydrophobicContact CG-CG 3.99Å; P1962-Q1965 WeakPolarHBondContact O-CB 3.3Å; P1962-Q1965 PolarHBondContact O-N 2.83Å; P1962-I1966 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1963 | P | 66.2 | Low | 78.2 | Confident | 32 Ų | 32 | 25.6 Ų | 25.6 | 21% | 0.208 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -34.5 | 175.4 | -32.4 | 38.2 | 0 | 0 | 0 | 114.7 | Q1965 I1966 Q1992 | P1963-Q1965 VanDerWaalsContact C-N 3.33Å; P1963-I1966 HydrophobicContact CB-CD1 4.49Å; P1963-I1966 VanDerWaalsContact O-CD1 3.25Å; P1963-I1966 WeakPolarHBondContact O-CD1 3.43Å; P1963-I1966 PolarHBondContact O-N 3.3Å; P1963-Q1992 WeakPolarHBondContact O-CB 3.4Å |
| 1964 | Q | 73.7 | Confident | 79.4 | Confident | 91 Ų | 91 | 25 Ų | 25 | 43% | 0.425 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.1 | -179.7 | -52 | 80.4 | 2.3 | 0 | 0 | 113.2 | P1962 I1966 T1993 | P1962-Q1964 PolarHBondContact O-N 2.85Å; Q1964-I1966 VanDerWaalsContact C-N 3.29Å; Q1964-T1993 HydrophobicContact CG-CG2 4.49Å |
| 1965 | Q | 76.5 | Confident | 79.9 | Confident | 35 Ų | 35 | 28.3 Ų | 28.3 | 16% | 0.164 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -32.3 | 167.7 | -74.1 | -168 | -12.6 | 0 | 0 | 110.2 | P1962 P1963 I1967 N2020 Q2021 | P1962-Q1965 HydrophobicContact CB-CG 4.13Å; P1962-Q1965 HydrophobicContact CG-CG 3.99Å; P1962-Q1965 WeakPolarHBondContact O-CB 3.3Å; P1962-Q1965 PolarHBondContact O-N 2.83Å; P1963-Q1965 VanDerWaalsContact C-N 3.33Å; Q1965-I1967 WeakPolarHBondContact O-CD1 3.33Å; Q1965-I1967 WeakPolarHBondContact O-CG1 3.47Å; Q1965-I1967 PolarHBondContact O-N 2.82Å; Q1965-I1967 VanDerWaalsContact O-N 3.11Å; Q1965-N2020 HydrophobicContact CB-CB 4.24Å; Q1965-N2020 CarbonylContact O-C 3.48Å; Q1965-N2020 WeakPolarHBondContact O-CA 3.5Å; Q1965-Q2021 HydrophobicContact CG-CG 4.3Å |
| 1966 | I | 84.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -63.7 | 118.4 | 172.9 | -43.4 | 91.9 | 0 | 0 | 0 | 107.4 | V433 L1931 P1962 P1963 Q1964 Y1968 T1991 Q1992 V2018 F2019 N2020 | V433-I1966 HydrophobicContact CG1-CG1 4.03Å; V433-I1966 HydrophobicContact CG1-CG2 4.26Å; V433-I1966 HydrophobicContact CG2-CG2 4.26Å; L1931-I1966 HydrophobicContact CD1-CG1 3.57Å; L1931-I1966 HydrophobicContact CD1-CG2 4.23Å; L1931-I1966 HydrophobicContact CD2-CG2 4.47Å; P1962-I1966 WeakPolarHBondContact O-CD1 3.4Å; P1963-I1966 HydrophobicContact CB-CD1 4.49Å; P1963-I1966 VanDerWaalsContact O-CD1 3.25Å; P1963-I1966 WeakPolarHBondContact O-CD1 3.43Å; P1963-I1966 PolarHBondContact O-N 3.3Å; Q1964-I1966 VanDerWaalsContact C-N 3.29Å; I1966-Y1968 VanDerWaalsContact C-CE2 3.48Å; I1966-Y1968 HydrophobicContact CB-CE2 3.8Å; I1966-Y1968 HydrophobicContact CG2-CD2 4.16Å; I1966-Y1968 HydrophobicContact CG2-CE1 4.44Å; I1966-Y1968 HydrophobicContact CG2-CE2 3.25Å; I1966-Y1968 VanDerWaalsContact CG2-CZ 3.47Å; I1966-Y1968 WeakPolarHBondContact CG2-OH 3.04Å; I1966-T1991 CarbonylContact O-C 3.49Å; I1966-T1991 WeakPolarHBondContact O-CA 3.17Å; I1966-T1991 WeakPolarHBondContact O-CB 3.4Å; I1966-Q1992 HydrophobicContact CB-CB 3.82Å; I1966-Q1992 HydrophobicContact CD1-CB 4.33Å; I1966-Q1992 HydrophobicContact CG2-CB 4.31Å; I1966-Q1992 PolarHBondContact O-N 3.46Å; I1966-V2018 HydrophobicContact CG2-CG1 3.79Å; I1966-F2019 CarbonylContact C-O 3.56Å; I1966-F2019 WeakPolarHBondContact CA-O 3.48Å; I1966-F2019 VanDerWaalsContact CB-O 3.31Å; I1966-F2019 WeakPolarHBondContact CB-O 3.48Å; I1966-F2019 WeakPolarHBondContact CG2-O 3.06Å; I1966-N2020 HydrophobicContact CB-CB 4.17Å; I1966-N2020 HydrophobicContact CG1-CB 3.79Å | ||
| 1967 | I | 83.7 | Confident | 80.3 | Confident | 40 Ų | 40 | 27.7 Ų | 27.7 | 21% | 0.205 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 167.5 | -167.3 | -59.6 | 154.3 | 0 | 0 | 0 | 107.4 | K425 Q1965 F1990 T1991 F2019 | K425-I1967 HydrophobicContact CD-CG2 4.25Å; Q1965-I1967 WeakPolarHBondContact O-CD1 3.33Å; Q1965-I1967 WeakPolarHBondContact O-CG1 3.47Å; Q1965-I1967 PolarHBondContact O-N 2.82Å; Q1965-I1967 VanDerWaalsContact O-N 3.11Å; I1967-F1990 CarbonylContact C-O 3.56Å; I1967-F1990 WeakPolarHBondContact CA-O 3.09Å; I1967-F1990 WeakPolarHBondContact CG2-O 3.37Å; I1967-T1991 HydrophobicContact CG1-CG2 3.81Å; I1967-F2019 VanDerWaalsContact C-CB 3.4Å; I1967-F2019 HydrophobicContact CB-CD1 4.09Å; I1967-F2019 HydrophobicContact CB-CD2 3.38Å; I1967-F2019 HydrophobicContact CB-CE1 3.91Å; I1967-F2019 HydrophobicContact CB-CE2 3.28Å; I1967-F2019 HydrophobicContact CB-CG 3.82Å; I1967-F2019 HydrophobicContact CB-CZ 3.48Å; I1967-F2019 VanDerWaalsContact CB-CZ 3.48Å; I1967-F2019 HydrophobicContact CD1-CE2 3.86Å; I1967-F2019 HydrophobicContact CD1-CZ 4.24Å; I1967-F2019 HydrophobicContact CG1-CD2 4.48Å; I1967-F2019 HydrophobicContact CG1-CE2 4.17Å; I1967-F2019 HydrophobicContact CG1-CZ 4.49Å; I1967-F2019 HydrophobicContact CG2-CD1 3.92Å; I1967-F2019 HydrophobicContact CG2-CD2 3.99Å; I1967-F2019 HydrophobicContact CG2-CE1 3.37Å; I1967-F2019 HydrophobicContact CG2-CE2 3.58Å; I1967-F2019 HydrophobicContact CG2-CG 4.19Å; I1967-F2019 HydrophobicContact CG2-CZ 3.15Å; I1967-F2019 PolarHBondContact N-O 2.79Å; I1967-F2019 CarbonylContact O-C 3.58Å; I1967-F2019 VanDerWaalsContact O-C 3.24Å; I1967-F2019 WeakPolarHBondContact O-CA 3.49Å; I1967-F2019 WeakPolarHBondContact O-CB 3.42Å; I1967-F2019 WeakPolarHBondContact O-CG 3.28Å; I1967-F2019 PolarHBondContact O-N 2.74Å |
| 1968 | Y | 88.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -173.6 | 142.1 | -145.4 | -75.3 | -96.6 | 0 | 0 | 0 | 111.7 | K425 L428 D429 A430 V433 I1966 Q1989 F1990 T1991 Q1992 I1995 V2018 F2019 | K425-Y1968 WeakPolarHBondContact CE-O 3.49Å; K425-Y1968 WeakPolarHBondContact CG-O 3.31Å; L428-Y1968 WeakPolarHBondContact O-CA 3.16Å; L428-Y1968 VanDerWaalsContact O-CB 3.23Å; L428-Y1968 WeakPolarHBondContact O-CB 3.48Å; L428-Y1968 WeakPolarHBondContact O-CD1 3.18Å; D429-Y1968 WeakPolarHBondContact O-CD1 3.46Å; D429-Y1968 WeakPolarHBondContact O-CE1 3.49Å; D429-Y1968 VanDerWaalsContact OD1-CB 3.31Å; D429-Y1968 WeakPolarHBondContact OD1-CB 3.46Å; A430-Y1968 HydrophobicContact CB-CD1 3.81Å; A430-Y1968 HydrophobicContact CB-CE1 3.75Å; V433-Y1968 WeakPolarHBondContact CG2-OH 3.45Å; I1966-Y1968 VanDerWaalsContact C-CE2 3.48Å; I1966-Y1968 HydrophobicContact CB-CE2 3.8Å; I1966-Y1968 HydrophobicContact CG2-CD2 4.16Å; I1966-Y1968 HydrophobicContact CG2-CE1 4.44Å; I1966-Y1968 HydrophobicContact CG2-CE2 3.25Å; I1966-Y1968 VanDerWaalsContact CG2-CZ 3.47Å; I1966-Y1968 WeakPolarHBondContact CG2-OH 3.04Å; Y1968-Q1989 CarbonylContact O-C 3.54Å; Y1968-Q1989 WeakPolarHBondContact O-CA 3.24Å; Y1968-F1990 VanDerWaalsContact CB-CA 3.42Å; Y1968-F1990 WeakPolarHBondContact CB-O 3.42Å; Y1968-F1990 HydrophobicContact CD1-CB 4.16Å; Y1968-F1990 HydrophobicContact CD1-CD1 4.5Å; Y1968-F1990 AromaticContact CD1-CD2 3.23Å; Y1968-F1990 HydrophobicContact CD1-CD2 3.23Å; Y1968-F1990 AromaticContact CD1-CE2 3.7Å; Y1968-F1990 HydrophobicContact CD1-CE2 3.7Å; Y1968-F1990 AromaticContact CD1-CG 3.69Å; Y1968-F1990 HydrophobicContact CD1-CG 3.69Å; Y1968-F1990 HydrophobicContact CD1-CZ 4.44Å; Y1968-F1990 HydrophobicContact CD2-CB 3.65Å; Y1968-F1990 AromaticContact CD2-CD2 3.92Å; Y1968-F1990 HydrophobicContact CD2-CD2 3.92Å; Y1968-F1990 HydrophobicContact CD2-CG 4.07Å; Y1968-F1990 AromaticContact CE1-CD2 3.53Å; Y1968-F1990 HydrophobicContact CE1-CD2 3.53Å; Y1968-F1990 AromaticContact CE1-CE2 3.83Å; Y1968-F1990 HydrophobicContact CE1-CE2 3.83Å; Y1968-F1990 HydrophobicContact CE1-CG 4.4Å; Y1968-F1990 HydrophobicContact CE2-CD2 4.27Å; Y1968-F1990 HydrophobicContact CG-CB 3.47Å; Y1968-F1990 VanDerWaalsContact CG-CB 3.47Å; Y1968-F1990 HydrophobicContact CG-CD1 4.4Å; Y1968-F1990 AromaticContact CG-CD2 3.46Å; Y1968-F1990 HydrophobicContact CG-CD2 3.46Å; Y1968-F1990 VanDerWaalsContact CG-CD2 3.46Å; Y1968-F1990 HydrophobicContact CG-CE2 4.34Å; Y1968-F1990 AromaticContact CG-CG 3.48Å; Y1968-F1990 HydrophobicContact CG-CG 3.48Å; Y1968-F1990 VanDerWaalsContact CG-CG 3.48Å; Y1968-F1990 PolarHBondContact N-O 2.94Å; Y1968-F1990 VanDerWaalsContact N-O 3.09Å; Y1968-F1990 PolarHBondContact O-N 3.1Å; Y1968-T1991 WeakPolarHBondContact CD2-O 3.48Å; Y1968-T1991 WeakPolarHBondContact CE2-O 3.39Å; Y1968-Q1992 HydrophobicContact CE2-CB 3.75Å; Y1968-Q1992 WeakPolarHBondContact OH-CB 3.05Å; Y1968-I1995 HydrophobicContact CE1-CD1 3.8Å; Y1968-V2018 HydrophobicContact CD1-CG1 4.45Å; Y1968-V2018 HydrophobicContact CE1-CG1 3.8Å; Y1968-F2019 VanDerWaalsContact N-CD1 3.28Å | ||
| 1969 | E | 88.1 | Confident | 81 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | trans | -151.2 | 178.6 | 164.2 | 164.1 | 156.8 | -169.8 | 0 | 0 | 112.9 | N405 K425 S426 V427 L428 D429 K1988 Q1989 | N405-E1969 VanDerWaalsContact CB-OE1 3.31Å; N405-E1969 WeakPolarHBondContact CB-OE1 3.45Å; N405-E1969 PolarHBondContact ND2-OE1 3.1Å; K425-E1969 HydrophobicContact CB-CB 3.69Å; K425-E1969 HydrophobicContact CD-CB 4.13Å; K425-E1969 HydrophobicContact CG-CB 3.38Å; K425-E1969 CarbonylContact O-C 3.45Å; K425-E1969 WeakPolarHBondContact O-CA 3.03Å; K425-E1969 WeakPolarHBondContact O-CB 3.49Å; K425-E1969 PolarHBondContact O-N 2.82Å; S426-E1969 CarbonylContact C-O 3.5Å; V427-E1969 CarbonylContact C-O 3.07Å; V427-E1969 WeakPolarHBondContact CA-O 3.28Å; V427-E1969 PolarHBondContact N-O 2.85Å; V427-E1969 VanDerWaalsContact O-O 3.05Å; L428-E1969 PolarHBondContact N-O 2.99Å; D429-E1969 VanDerWaalsContact CB-C 3.47Å; D429-E1969 WeakPolarHBondContact CB-O 3.31Å; D429-E1969 PolarHBondContact N-O 3.04Å; D429-E1969 WeakPolarHBondContact OD1-CA 3.49Å; D429-E1969 PolarHBondContact OD1-N 3.26Å; E1969-K1988 VanDerWaalsContact CB-O 3.26Å; E1969-K1988 WeakPolarHBondContact CB-O 3.31Å; E1969-K1988 HydrophobicContact CG-CG 4.19Å; E1969-K1988 WeakPolarHBondContact CG-O 3.38Å; E1969-Q1989 HydrophobicContact CB-CG 4.1Å; E1969-Q1989 HydrophobicContact CG-CG 4.31Å; E1969-Q1989 WeakPolarHBondContact OE2-CG 3.34Å; E1969-Q1989 PolarHBondContact OE2-NE2 2.88Å | ||
| 1970 | V | 85.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -127.9 | 138.8 | -164.4 | -167.5 | 0 | 0 | 0 | 0 | 118.6 | K393 S426 D429 L1987 K1988 Q2015 L2016 | K393-V1970 HydrophobicContact CB-CB 4.36Å; K393-V1970 HydrophobicContact CB-CG1 3.62Å; K393-V1970 HydrophobicContact CB-CG2 3.8Å; K393-V1970 HydrophobicContact CD-CB 4.38Å; K393-V1970 HydrophobicContact CD-CG1 3.87Å; K393-V1970 HydrophobicContact CD-CG2 3.97Å; K393-V1970 HydrophobicContact CG-CG1 4.31Å; K393-V1970 VanDerWaalsContact NZ-CB 3.32Å; S426-V1970 CarbonylContact O-C 3.4Å; S426-V1970 VanDerWaalsContact O-CA 3.27Å; S426-V1970 WeakPolarHBondContact O-CA 3.48Å; S426-V1970 PolarHBondContact O-N 2.79Å; S426-V1970 VanDerWaalsContact O-O 3.06Å; D429-V1970 HydrophobicContact CB-CG2 3.81Å; D429-V1970 WeakPolarHBondContact OD2-CG2 3.31Å; V1970-L1987 HydrophobicContact CG2-CD2 4.34Å; V1970-L1987 WeakPolarHBondContact CG2-O 3.42Å; V1970-K1988 HydrophobicContact CB-CG 4.41Å; V1970-K1988 VanDerWaalsContact CG2-CA 3.43Å; V1970-Q2015 WeakPolarHBondContact CG1-O 3.48Å; V1970-L2016 HydrophobicContact CB-CD2 3.78Å; V1970-L2016 HydrophobicContact CG1-CD2 3.24Å; V1970-L2016 HydrophobicContact CG2-CD2 3.74Å | ||
| 1971 | S | 80.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -77.2 | -89 | 158.5 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | L404 S426 V427 | L404-S1971 VanDerWaalsContact CD2-CB 3.42Å; S426-S1971 PolarHBondContact O-N 3.39Å; V427-S1971 WeakPolarHBondContact CG1-OG 3.37Å; V427-S1971 WeakPolarHBondContact CG2-OG 3.02Å |
| 1972 | Q | 82.7 | Confident | 81.3 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | trans | -93.4 | 131.2 | -154.7 | -154.3 | 177 | 61.2 | 0 | 0 | 111.7 | K393 V399 F2014 Q2015 | K393-Q1972 WeakPolarHBondContact CE-O 3.25Å; V399-Q1972 HydrophobicContact CB-CG 3.64Å; V399-Q1972 HydrophobicContact CG1-CG 4.41Å; V399-Q1972 WeakPolarHBondContact O-CG 3.04Å; V399-Q1972 PolarHBondContact O-NE2 2.78Å; Q1972-F2014 CarbonylContact O-C 3.54Å; Q1972-Q2015 HydrophobicContact CB-CB 3.63Å; Q1972-Q2015 HydrophobicContact CB-CG 3.64Å; Q1972-Q2015 HydrophobicContact CG-CG 4.35Å; Q1972-Q2015 PolarHBondContact O-N 2.89Å | ||
| 1973 | Q | 84.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 25 Ų | 25 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | trans | -73.8 | 174.3 | 166.6 | -68.4 | -74.5 | 0.9 | 0 | 0 | 111.4 | K393 D398 V399 F2014 | K393-Q1973 VanDerWaalsContact CD-OE1 3.32Å; K393-Q1973 VanDerWaalsContact CE-CA 3.5Å; D398-Q1973 CarbonylContact C-O 3.59Å; V399-Q1973 HydrophobicContact CB-CB 4.17Å; V399-Q1973 WeakPolarHBondContact CB-O 3.44Å; V399-Q1973 HydrophobicContact CG1-CB 4.43Å; V399-Q1973 HydrophobicContact CG2-CB 3.74Å; V399-Q1973 WeakPolarHBondContact CG2-O 3.45Å; Q1973-F2014 WeakPolarHBondContact O-CA 3.32Å | ||
| 1974 | P | 87 | Confident | 81.4 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.045 | 13% | 0.131 | C | C | . | . | trans | -86.3 | 143.2 | 167 | 7.1 | 8.7 | 0 | 0 | 0 | 115.2 | D398 V399 L1979 Y2002 D2012 Q2013 F2014 | D398-P1974 CarbonylContact O-C 3.51Å; D398-P1974 WeakPolarHBondContact O-CA 3.31Å; V399-P1974 VanDerWaalsContact CG2-C 3.48Å; V399-P1974 WeakPolarHBondContact CG2-O 3.36Å; P1974-L1979 HydrophobicContact CG-CB 4.43Å; P1974-L1979 HydrophobicContact CG-CD1 4.11Å; P1974-L1979 HydrophobicContact CG-CG 4.48Å; P1974-Y2002 HydrophobicContact CB-CE2 4.04Å; P1974-Y2002 HydrophobicContact CG-CD2 4.05Å; P1974-Y2002 HydrophobicContact CG-CE2 3.98Å; P1974-D2012 WeakPolarHBondContact CB-OD2 3.4Å; P1974-Q2013 WeakPolarHBondContact CA-O 3.03Å; P1974-F2014 HydrophobicContact CB-CB 3.97Å; P1974-F2014 HydrophobicContact CG-CB 3.66Å; P1974-F2014 HydrophobicContact CG-CG 4.23Å | ||
| 1975 | E | 85 | Confident | 81.5 | Confident | 86 Ų | 86 | 23.7 Ų | 23.7 | 40% | 0.402 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -82.6 | -45 | -179.9 | -97.4 | 159.5 | -142.5 | 0 | 0 | 110.7 | D398 V399 S400 G1977 | D398-E1975 VanDerWaalsContact C-OE1 3.25Å; D398-E1975 HydrophobicContact CB-CB 3.72Å; D398-E1975 VanDerWaalsContact CB-CD 3.5Å; D398-E1975 HydrophobicContact CB-CG 3.92Å; D398-E1975 WeakPolarHBondContact O-CA 3.49Å; D398-E1975 WeakPolarHBondContact O-CB 3.49Å; D398-E1975 VanDerWaalsContact O-CG 3.24Å; D398-E1975 WeakPolarHBondContact O-CG 3.22Å; D398-E1975 PolarHBondContact O-N 2.84Å; V399-E1975 VanDerWaalsContact CA-OE1 3.28Å; V399-E1975 WeakPolarHBondContact CA-OE1 3.46Å; V399-E1975 HydrophobicContact CG2-CG 4.01Å; V399-E1975 PolarHBondContact N-OE1 2.77Å; S400-E1975 PolarHBondContact N-OE1 2.85Å; E1975-G1977 VanDerWaalsContact C-N 3.25Å |
| 1976 | N | 86.1 | Confident | 81.4 | Confident | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -94.2 | 9.9 | -178.4 | -43.5 | -91.8 | 0 | 0 | 0 | 110.7 | P2004 T2005 N2006 A2009 D2012 | N1976-P2004 CarbonylContact O-C 3.57Å; N1976-P2004 VanDerWaalsContact O-CA 3.25Å; N1976-P2004 WeakPolarHBondContact O-CA 3.44Å; N1976-T2005 PolarHBondContact O-N 3.14Å; N1976-T2005 PolarHBondContact O-OG1 2.88Å; N1976-N2006 HydrophobicContact CB-CB 3.78Å; N1976-N2006 PolarHBondContact O-N 3.38Å; N1976-N2006 PolarHBondContact OD1-ND2 3.06Å; N1976-A2009 HydrophobicContact CB-CB 3.73Å; N1976-A2009 WeakPolarHBondContact OD1-CB 3.35Å; N1976-D2012 VanDerWaalsContact C-CG 3.41Å; N1976-D2012 VanDerWaalsContact C-OD2 3.24Å; N1976-D2012 VanDerWaalsContact CA-OD1 3.23Å; N1976-D2012 WeakPolarHBondContact CA-OD1 3Å; N1976-D2012 HydrophobicContact CB-CB 3.75Å; N1976-D2012 WeakPolarHBondContact CB-OD1 3.36Å; N1976-D2012 PolarHBondContact N-OD1 3.24Å; N1976-D2012 PolarHBondContact ND2-OD1 2.86Å |
| 1977 | G | 82.2 | Confident | 81.1 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | -165.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1975 K2003 T2005 D2012 | E1975-G1977 VanDerWaalsContact C-N 3.25Å; G1977-K2003 CarbonylContact C-O 3.32Å; G1977-K2003 VanDerWaalsContact C-O 3.27Å; G1977-K2003 WeakPolarHBondContact CA-O 3.49Å; G1977-T2005 VanDerWaalsContact CA-OG1 3.3Å; G1977-T2005 WeakPolarHBondContact CA-OG1 3.36Å; G1977-T2005 PolarHBondContact N-OG1 3.01Å; G1977-T2005 WeakPolarHBondContact O-CG2 3.36Å; G1977-T2005 PolarHBondContact O-OG1 3.43Å; G1977-D2012 WeakPolarHBondContact CA-OD2 3.38Å; G1977-D2012 PolarHBondContact N-OD2 3.42Å |
| 1978 | S | 85 | Confident | 80.8 | Confident | 25 Ų | 25 | 26.1 Ų | 26.1 | 18% | 0.175 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 144.5 | 179.9 | 59 | 0 | 0 | 0 | 0 | 110.3 | Y2002 K2003 | S1978-Y2002 CarbonylContact O-C 3.58Å; S1978-Y2002 WeakPolarHBondContact O-CA 3.35Å; S1978-K2003 PolarHBondContact N-O 3.26Å; S1978-K2003 PolarHBondContact O-N 3.2Å; S1978-K2003 PolarHBondContact OG-O 3.28Å |
| 1979 | L | 87 | Confident | 80.5 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.3 | 179.8 | -101.5 | 154.7 | 0 | 0 | 0 | 113.3 | V392 K393 I1950 P1974 P1986 L1987 I2000 V2001 Y2002 F2014 | V392-L1979 HydrophobicContact CG1-CD2 3.62Å; K393-L1979 HydrophobicContact CB-CD1 4.38Å; K393-L1979 HydrophobicContact CD-CB 3.71Å; K393-L1979 HydrophobicContact CG-CB 3.35Å; K393-L1979 HydrophobicContact CG-CD1 3.47Å; K393-L1979 VanDerWaalsContact CG-CD1 3.47Å; K393-L1979 HydrophobicContact CG-CD2 4.46Å; K393-L1979 HydrophobicContact CG-CG 3.94Å; I1950-L1979 HydrophobicContact CD1-CD1 4.13Å; I1950-L1979 HydrophobicContact CD1-CD2 4.21Å; P1974-L1979 HydrophobicContact CG-CB 4.43Å; P1974-L1979 HydrophobicContact CG-CD1 4.11Å; P1974-L1979 HydrophobicContact CG-CG 4.48Å; L1979-P1986 WeakPolarHBondContact O-CA 3.06Å; L1979-L1987 HydrophobicContact CB-CB 4.13Å; L1979-L1987 VanDerWaalsContact O-CB 3.25Å; L1979-L1987 WeakPolarHBondContact O-CB 3.31Å; L1979-L1987 PolarHBondContact O-N 3.04Å; L1979-I2000 HydrophobicContact CD2-CG2 4.09Å; L1979-V2001 VanDerWaalsContact CD2-C 3.46Å; L1979-V2001 WeakPolarHBondContact CD2-O 3.32Å; L1979-Y2002 HydrophobicContact CD1-CD2 3.98Å; L1979-Y2002 HydrophobicContact CG-CD2 4.07Å; L1979-Y2002 HydrophobicContact CG-CG 4.44Å; L1979-F2014 HydrophobicContact CD1-CB 4.21Å; L1979-F2014 HydrophobicContact CD1-CD1 4.29Å; L1979-F2014 HydrophobicContact CD1-CD2 2.86Å; L1979-F2014 HydrophobicContact CD1-CE2 3.04Å; L1979-F2014 HydrophobicContact CD1-CG 3.58Å; L1979-F2014 HydrophobicContact CD1-CZ 3.97Å; L1979-F2014 HydrophobicContact CG-CD2 4.33Å; L1979-F2014 HydrophobicContact CG-CE2 4.45Å |
| 1980 | Q | 85 | Confident | 80.4 | Confident | 39 Ų | 39 | 28.5 Ų | 28.5 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.6 | -159.3 | -68.1 | 168.9 | -14.5 | 0 | 0 | 109.6 | R345 G1984 T1985 L1987 I2000 V2001 | R345-Q1980 VanDerWaalsContact CZ-OE1 3.3Å; Q1980-G1984 VanDerWaalsContact CG-O 3.26Å; Q1980-G1984 WeakPolarHBondContact CG-O 3.35Å; Q1980-G1984 PolarHBondContact NE2-O 2.81Å; Q1980-T1985 CarbonylContact C-O 3.45Å; Q1980-T1985 WeakPolarHBondContact CA-O 3.1Å; Q1980-T1985 WeakPolarHBondContact CB-O 3.16Å; Q1980-L1987 VanDerWaalsContact C-CD1 3.47Å; Q1980-L1987 WeakPolarHBondContact O-CD1 3.4Å; Q1980-I2000 VanDerWaalsContact O-CG2 3.3Å; Q1980-I2000 WeakPolarHBondContact O-CG2 3.38Å; Q1980-V2001 HydrophobicContact CB-CG1 4.23Å; Q1980-V2001 PolarHBondContact N-O 2.83Å; Q1980-V2001 WeakPolarHBondContact O-CB 3.2Å |
| 1981 | W | 78.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 156.9 | 153.5 | -62.3 | 85.2 | 0 | 0 | 0 | 106.7 | C379 P387 C388 T389 S390 W391 N1983 G1984 T1985 H1999 V2001 | C379-W1981 HydrophobicContact CB-CH2 4.05Å; C379-W1981 HydrophobicContact CB-CZ3 4.18Å; P387-W1981 VanDerWaalsContact C-CE2 3.43Å; P387-W1981 HydrophobicContact CB-CZ2 3.47Å; P387-W1981 VanDerWaalsContact CB-CZ2 3.47Å; P387-W1981 HydrophobicContact CG-CZ2 3.77Å; P387-W1981 WeakPolarHBondContact O-CH2 3.4Å; P387-W1981 WeakPolarHBondContact O-CZ2 3.44Å; C388-W1981 VanDerWaalsContact CA-NE1 3.3Å; C388-W1981 HydrophobicContact CB-CD2 2.8Å; C388-W1981 VanDerWaalsContact CB-CE2 3.44Å; C388-W1981 HydrophobicContact CB-CE3 2.6Å; C388-W1981 HydrophobicContact CB-CG 3.89Å; C388-W1981 HydrophobicContact CB-CH2 3.74Å; C388-W1981 HydrophobicContact CB-CZ2 3.91Å; C388-W1981 HydrophobicContact CB-CZ3 3.13Å; C388-W1981 WeakPolarHBondContact O-CH2 3.37Å; C388-W1981 WeakPolarHBondContact O-CZ2 3.14Å; C388-W1981 WeakPolarHBondContact O-CZ3 3.39Å; T389-W1981 VanDerWaalsContact CB-CZ2 3.47Å; T389-W1981 HydrophobicContact CG2-CB 4.26Å; T389-W1981 HydrophobicContact CG2-CD2 4.15Å; T389-W1981 HydrophobicContact CG2-CG 3.62Å; T389-W1981 HydrophobicContact CG2-CZ2 4.3Å; T389-W1981 WeakPolarHBondContact OG1-CZ2 3.5Å; T389-W1981 PolarHBondContact OG1-NE1 3.28Å; S390-W1981 VanDerWaalsContact CB-CZ2 3.48Å; S390-W1981 WeakPolarHBondContact OG-CH2 3.26Å; W391-W1981 AromaticContact CD1-CH2 3.78Å; W391-W1981 AromaticContact CD1-CZ3 3.32Å; W391-W1981 AromaticContact NE1-CH2 3.39Å; W391-W1981 AromaticContact NE1-CZ3 3.14Å; W1981-N1983 HydrophobicContact CB-CB 3.65Å; W1981-N1983 VanDerWaalsContact CB-OD1 3.31Å; W1981-N1983 WeakPolarHBondContact CB-OD1 3.27Å; W1981-N1983 VanDerWaalsContact CD1-ND2 3.35Å; W1981-N1983 HydrophobicContact CG-CB 3.97Å; W1981-N1983 VanDerWaalsContact CG-ND2 3.3Å; W1981-N1983 PolarHBondContact O-N 2.75Å; W1981-G1984 WeakPolarHBondContact O-CA 3.21Å; W1981-G1984 PolarHBondContact O-N 3.23Å; W1981-T1985 PolarHBondContact N-O 2.68Å; W1981-T1985 PolarHBondContact NE1-OG1 2.83Å; W1981-T1985 VanDerWaalsContact NE1-OG1 3.1Å; W1981-H1999 HydrophobicContact CE3-CB 4.24Å; W1981-H1999 AromaticContact CE3-CD2 3.6Å; W1981-H1999 AromaticContact CE3-CE1 3.88Å; W1981-H1999 AromaticContact CE3-CG 3.75Å; W1981-H1999 AromaticContact CE3-ND1 3.9Å; W1981-H1999 AromaticContact CE3-NE2 3.72Å; W1981-H1999 HydrophobicContact CZ3-CB 4.33Å; W1981-H1999 AromaticContact CZ3-CE1 3.61Å; W1981-H1999 AromaticContact CZ3-CG 3.81Å; W1981-H1999 AromaticContact CZ3-ND1 3.45Å; W1981-H1999 WeakPolarHBondContact CZ3-ND1 3.21Å; W1981-V2001 WeakPolarHBondContact O-CG1 3.3Å |
| 1982 | S | 69.8 | Low | 80.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -38.9 | 147.4 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | S224 S225 S226 S347 G1984 H1999 | S224-S1982 PolarHBondContact OG-OG 2.8Å; S225-S1982 VanDerWaalsContact CA-CB 3.43Å; S225-S1982 WeakPolarHBondContact CA-OG 3.5Å; S225-S1982 WeakPolarHBondContact CB-OG 3.43Å; S225-S1982 WeakPolarHBondContact OG-CB 3.36Å; S225-S1982 PolarHBondContact OG-OG 3.49Å; S226-S1982 WeakPolarHBondContact CA-O 3.25Å; S226-S1982 WeakPolarHBondContact CB-O 2.98Å; S226-S1982 PolarHBondContact N-O 3.12Å; S226-S1982 PolarHBondContact OG-O 3.31Å; S347-S1982 WeakPolarHBondContact OG-CB 3.38Å; S1982-G1984 PolarHBondContact O-N 3.41Å; S1982-G1984 VanDerWaalsContact O-N 3.12Å; S1982-H1999 WeakPolarHBondContact CA-O 3.23Å; S1982-H1999 WeakPolarHBondContact CB-O 3.29Å; S1982-H1999 PolarHBondContact N-O 3.05Å; S1982-H1999 PolarHBondContact OG-O 2.98Å; S1982-H1999 VanDerWaalsContact OG-O 3.07Å |
| 1983 | N | 67.8 | Low | 80.5 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 24% | 0.235 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11.6 | 169.8 | 99.1 | 14.5 | 0 | 0 | 0 | 116.8 | S224 C388 W1981 T1985 | S224-N1983 WeakPolarHBondContact O-CA 3.46Å; S224-N1983 WeakPolarHBondContact O-CB 3.24Å; S224-N1983 PolarHBondContact O-N 2.84Å; S224-N1983 VanDerWaalsContact O-N 3.09Å; C388-N1983 WeakPolarHBondContact CB-ND2 3.43Å; W1981-N1983 HydrophobicContact CB-CB 3.65Å; W1981-N1983 VanDerWaalsContact CB-OD1 3.31Å; W1981-N1983 WeakPolarHBondContact CB-OD1 3.27Å; W1981-N1983 VanDerWaalsContact CD1-ND2 3.35Å; W1981-N1983 HydrophobicContact CG-CB 3.97Å; W1981-N1983 VanDerWaalsContact CG-ND2 3.3Å; W1981-N1983 PolarHBondContact O-N 2.75Å; N1983-T1985 PolarHBondContact OD1-N 2.87Å; N1983-T1985 PolarHBondContact OD1-OG1 3.31Å |
| 1984 | G | 68.4 | Low | 80.4 | Confident | 26 Ų | 26 | 26 Ų | 26 | 27% | 0.268 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 93.2 | -16.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q1980 W1981 S1982 | Q1980-G1984 VanDerWaalsContact CG-O 3.26Å; Q1980-G1984 WeakPolarHBondContact CG-O 3.35Å; Q1980-G1984 PolarHBondContact NE2-O 2.81Å; W1981-G1984 WeakPolarHBondContact O-CA 3.21Å; W1981-G1984 PolarHBondContact O-N 3.23Å; S1982-G1984 PolarHBondContact O-N 3.41Å; S1982-G1984 VanDerWaalsContact O-N 3.12Å |
| 1985 | T | 75.2 | Confident | 80.1 | Confident | 70 Ų | 70 | 25.6 Ų | 25.6 | 43% | 0.429 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -75.5 | 160.1 | 174.1 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | T389 Q1980 W1981 N1983 | T389-T1985 VanDerWaalsContact CG2-C 3.49Å; T389-T1985 WeakPolarHBondContact CG2-O 3.48Å; Q1980-T1985 CarbonylContact C-O 3.45Å; Q1980-T1985 WeakPolarHBondContact CA-O 3.1Å; Q1980-T1985 WeakPolarHBondContact CB-O 3.16Å; W1981-T1985 PolarHBondContact N-O 2.68Å; W1981-T1985 PolarHBondContact NE1-OG1 2.83Å; W1981-T1985 VanDerWaalsContact NE1-OG1 3.1Å; N1983-T1985 PolarHBondContact OD1-N 2.87Å; N1983-T1985 PolarHBondContact OD1-OG1 3.31Å |
| 1986 | P | 74.5 | Confident | 79.5 | Confident | 87 Ų | 87 | 21.7 Ų | 21.7 | 57% | 0.565 | 13% | 0.129 | S | C | * | . | B | Isolated β-bridge | trans | -98.3 | 152.5 | -157.9 | 37 | -36.2 | 0 | 0 | 0 | 117.2 | T389 L1979 | T389-P1986 WeakPolarHBondContact CB-O 3.4Å; T389-P1986 WeakPolarHBondContact CG2-O 3.06Å; T389-P1986 PolarHBondContact OG1-O 2.7Å; L1979-P1986 WeakPolarHBondContact O-CA 3.06Å |
| 1987 | L | 77.5 | Confident | 79 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -92.5 | 135 | -146.4 | -158.4 | 113 | 0 | 0 | 0 | 120.9 | T389 S390 K393 V1970 L1979 Q1980 I2000 | T389-L1987 HydrophobicContact CG2-CB 3.97Å; T389-L1987 HydrophobicContact CG2-CD1 3.83Å; T389-L1987 HydrophobicContact CG2-CG 4.21Å; S390-L1987 WeakPolarHBondContact O-CD1 3.23Å; S390-L1987 WeakPolarHBondContact O-CD2 3.47Å; S390-L1987 WeakPolarHBondContact O-CG 3.41Å; K393-L1987 HydrophobicContact CB-CD2 3.53Å; K393-L1987 HydrophobicContact CD-CB 3.54Å; K393-L1987 HydrophobicContact CD-CD2 3.66Å; K393-L1987 HydrophobicContact CD-CG 4.18Å; K393-L1987 WeakPolarHBondContact CD-O 3.35Å; K393-L1987 HydrophobicContact CG-CB 4.16Å; K393-L1987 HydrophobicContact CG-CD2 3.44Å; K393-L1987 VanDerWaalsContact CG-CD2 3.44Å; K393-L1987 HydrophobicContact CG-CG 4.42Å; K393-L1987 PolarHBondContact NZ-O 3.21Å; V1970-L1987 HydrophobicContact CG2-CD2 4.34Å; V1970-L1987 WeakPolarHBondContact CG2-O 3.42Å; L1979-L1987 HydrophobicContact CB-CB 4.13Å; L1979-L1987 VanDerWaalsContact O-CB 3.25Å; L1979-L1987 WeakPolarHBondContact O-CB 3.31Å; L1979-L1987 PolarHBondContact O-N 3.04Å; Q1980-L1987 VanDerWaalsContact C-CD1 3.47Å; Q1980-L1987 WeakPolarHBondContact O-CD1 3.4Å; L1987-I2000 HydrophobicContact CD1-CD1 3.94Å; L1987-I2000 HydrophobicContact CD1-CG2 3.29Å; L1987-I2000 HydrophobicContact CD2-CG2 4.26Å; L1987-I2000 HydrophobicContact CG-CG2 4.42Å |
| 1988 | K | 77.2 | Confident | 78.3 | Confident | 40 Ų | 40 | 20.3 Ų | 20.3 | 17% | 0.174 | 12% | 0.12 | C | C | . | . | trans | -169.5 | 23.4 | -164.4 | -124 | 176.1 | -171.8 | 175.2 | 0 | 124.4 | T389 S403 N405 E1969 V1970 | T389-K1988 CarbonylContact O-C 3.54Å; T389-K1988 VanDerWaalsContact O-C 3.29Å; T389-K1988 WeakPolarHBondContact O-CA 3.13Å; T389-K1988 PolarHBondContact O-N 3Å; S403-K1988 PolarHBondContact O-NZ 3.14Å; N405-K1988 VanDerWaalsContact CG-CE 3.47Å; N405-K1988 PolarHBondContact OD1-NZ 2.9Å; E1969-K1988 VanDerWaalsContact CB-O 3.26Å; E1969-K1988 WeakPolarHBondContact CB-O 3.31Å; E1969-K1988 HydrophobicContact CG-CG 4.19Å; E1969-K1988 WeakPolarHBondContact CG-O 3.38Å; V1970-K1988 HydrophobicContact CB-CG 4.41Å; V1970-K1988 VanDerWaalsContact CG2-CA 3.43Å | ||
| 1989 | Q | 83.3 | Confident | 77.9 | Confident | 58 Ų | 58 | 19.1 Ų | 19.1 | 27% | 0.271 | 11% | 0.112 | S | C | . | . | trans | 175.7 | 46.1 | -163.7 | -94 | -113.6 | -13.6 | 0 | 0 | 123.6 | T389 S390 K425 D429 Y1968 E1969 | T389-Q1989 PolarHBondContact O-N 3.47Å; S390-Q1989 WeakPolarHBondContact CA-O 3.47Å; S390-Q1989 WeakPolarHBondContact CB-O 3.38Å; S390-Q1989 VanDerWaalsContact OG-C 3.23Å; S390-Q1989 PolarHBondContact OG-O 3.23Å; K425-Q1989 HydrophobicContact CD-CG 4.47Å; K425-Q1989 VanDerWaalsContact CE-CD 3.44Å; K425-Q1989 VanDerWaalsContact NZ-CD 3.26Å; D429-Q1989 VanDerWaalsContact OD1-C 3.31Å; D429-Q1989 WeakPolarHBondContact OD1-CA 3.46Å; D429-Q1989 PolarHBondContact OD1-N 2.63Å; D429-Q1989 PolarHBondContact OD2-N 3.36Å; Y1968-Q1989 CarbonylContact O-C 3.54Å; Y1968-Q1989 WeakPolarHBondContact O-CA 3.24Å; E1969-Q1989 HydrophobicContact CB-CG 4.1Å; E1969-Q1989 HydrophobicContact CG-CG 4.31Å; E1969-Q1989 WeakPolarHBondContact OE2-CG 3.34Å; E1969-Q1989 PolarHBondContact OE2-NE2 2.88Å | ||
| 1990 | F | 86 | Confident | 77.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -66.7 | 173.9 | -168.7 | -16.1 | -18.1 | 0 | 0 | 0 | 117.5 | S390 W391 V392 D429 L1955 I1967 Y1968 I1995 L2016 | S390-F1990 VanDerWaalsContact C-CD1 3.44Å; S390-F1990 VanDerWaalsContact O-CD1 3.27Å; S390-F1990 WeakPolarHBondContact O-CD1 3.29Å; S390-F1990 WeakPolarHBondContact O-CE1 3.33Å; S390-F1990 WeakPolarHBondContact OG-CA 3.27Å; S390-F1990 PolarHBondContact OG-N 2.9Å; W391-F1990 HydrophobicContact CB-CB 3.92Å; W391-F1990 HydrophobicContact CB-CD1 4.22Å; W391-F1990 HydrophobicContact CB-CD2 4.24Å; W391-F1990 HydrophobicContact CB-CG 3.94Å; W391-F1990 HydrophobicContact CD2-CB 3.84Å; W391-F1990 HydrophobicContact CE3-CB 3.72Å; W391-F1990 HydrophobicContact CG-CB 4.01Å; W391-F1990 WeakPolarHBondContact O-CD2 3.35Å; W391-F1990 WeakPolarHBondContact O-CE2 3.43Å; W391-F1990 WeakPolarHBondContact O-CZ 3.44Å; V392-F1990 HydrophobicContact CB-CZ 4.3Å; V392-F1990 WeakPolarHBondContact O-CZ 3.33Å; D429-F1990 HydrophobicContact CB-CD1 3.43Å; D429-F1990 VanDerWaalsContact CB-CD1 3.43Å; D429-F1990 HydrophobicContact CB-CE1 3.03Å; D429-F1990 HydrophobicContact CB-CG 4.35Å; D429-F1990 HydrophobicContact CB-CZ 3.75Å; D429-F1990 WeakPolarHBondContact O-CD2 3.1Å; D429-F1990 VanDerWaalsContact O-CE1 3.28Å; D429-F1990 WeakPolarHBondContact O-CE1 3.23Å; D429-F1990 WeakPolarHBondContact O-CE2 3.48Å; D429-F1990 WeakPolarHBondContact O-CZ 3.41Å; D429-F1990 WeakPolarHBondContact OD1-CD1 3.49Å; D429-F1990 WeakPolarHBondContact OD1-CE1 3.22Å; D429-F1990 PolarHBondContact OD1-N 2.77Å; D429-F1990 WeakPolarHBondContact OD2-CD1 3.46Å; D429-F1990 WeakPolarHBondContact OD2-CE1 3.45Å; L1955-F1990 HydrophobicContact CD2-CE2 4.21Å; L1955-F1990 HydrophobicContact CD2-CZ 4.31Å; I1967-F1990 CarbonylContact C-O 3.56Å; I1967-F1990 WeakPolarHBondContact CA-O 3.09Å; I1967-F1990 WeakPolarHBondContact CG2-O 3.37Å; Y1968-F1990 VanDerWaalsContact CB-CA 3.42Å; Y1968-F1990 WeakPolarHBondContact CB-O 3.42Å; Y1968-F1990 HydrophobicContact CD1-CB 4.16Å; Y1968-F1990 HydrophobicContact CD1-CD1 4.5Å; Y1968-F1990 AromaticContact CD1-CD2 3.23Å; Y1968-F1990 HydrophobicContact CD1-CD2 3.23Å; Y1968-F1990 AromaticContact CD1-CE2 3.7Å; Y1968-F1990 HydrophobicContact CD1-CE2 3.7Å; Y1968-F1990 AromaticContact CD1-CG 3.69Å; Y1968-F1990 HydrophobicContact CD1-CG 3.69Å; Y1968-F1990 HydrophobicContact CD1-CZ 4.44Å; Y1968-F1990 HydrophobicContact CD2-CB 3.65Å; Y1968-F1990 AromaticContact CD2-CD2 3.92Å; Y1968-F1990 HydrophobicContact CD2-CD2 3.92Å; Y1968-F1990 HydrophobicContact CD2-CG 4.07Å; Y1968-F1990 AromaticContact CE1-CD2 3.53Å; Y1968-F1990 HydrophobicContact CE1-CD2 3.53Å; Y1968-F1990 AromaticContact CE1-CE2 3.83Å; Y1968-F1990 HydrophobicContact CE1-CE2 3.83Å; Y1968-F1990 HydrophobicContact CE1-CG 4.4Å; Y1968-F1990 HydrophobicContact CE2-CD2 4.27Å; Y1968-F1990 HydrophobicContact CG-CB 3.47Å; Y1968-F1990 VanDerWaalsContact CG-CB 3.47Å; Y1968-F1990 HydrophobicContact CG-CD1 4.4Å; Y1968-F1990 AromaticContact CG-CD2 3.46Å; Y1968-F1990 HydrophobicContact CG-CD2 3.46Å; Y1968-F1990 VanDerWaalsContact CG-CD2 3.46Å; Y1968-F1990 HydrophobicContact CG-CE2 4.34Å; Y1968-F1990 AromaticContact CG-CG 3.48Å; Y1968-F1990 HydrophobicContact CG-CG 3.48Å; Y1968-F1990 VanDerWaalsContact CG-CG 3.48Å; Y1968-F1990 PolarHBondContact N-O 2.94Å; Y1968-F1990 VanDerWaalsContact N-O 3.09Å; Y1968-F1990 PolarHBondContact O-N 3.1Å; F1990-I1995 HydrophobicContact CD2-CD1 3.76Å; F1990-I1995 HydrophobicContact CD2-CG1 3.36Å; F1990-I1995 HydrophobicContact CE2-CD1 3.4Å; F1990-I1995 HydrophobicContact CE2-CG1 3.3Å; F1990-L2016 HydrophobicContact CE1-CD1 3.91Å; F1990-L2016 HydrophobicContact CZ-CD1 3.59Å | ||
| 1991 | T | 84.7 | Confident | 77.7 | Confident | 28 Ų | 28 | 17.2 Ų | 17.2 | 17% | 0.172 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 179.7 | 134.6 | 106.4 | 0 | 0 | 0 | 0 | 111.3 | W391 I1966 I1967 Y1968 T1993 | W391-T1991 VanDerWaalsContact CE3-C 3.42Å; W391-T1991 HydrophobicContact CH2-CG2 3.47Å; W391-T1991 VanDerWaalsContact CH2-CG2 3.47Å; W391-T1991 WeakPolarHBondContact CH2-OG1 3.35Å; W391-T1991 HydrophobicContact CZ2-CG2 4.17Å; W391-T1991 VanDerWaalsContact CZ3-CB 3.44Å; W391-T1991 HydrophobicContact CZ3-CG2 3.92Å; W391-T1991 WeakPolarHBondContact CZ3-O 3.26Å; W391-T1991 WeakPolarHBondContact CZ3-OG1 3.41Å; I1966-T1991 CarbonylContact O-C 3.49Å; I1966-T1991 WeakPolarHBondContact O-CA 3.17Å; I1966-T1991 WeakPolarHBondContact O-CB 3.4Å; I1967-T1991 HydrophobicContact CG1-CG2 3.81Å; Y1968-T1991 WeakPolarHBondContact CD2-O 3.48Å; Y1968-T1991 WeakPolarHBondContact CE2-O 3.39Å; T1991-T1993 PolarHBondContact O-N 3.02Å; T1991-T1993 PolarHBondContact OG1-OG1 2.78Å |
| 1992 | Q | 85.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -70.1 | -37.4 | 178.1 | 162.4 | 67.2 | 116.9 | 0 | 0 | 107.7 | A1957 P1963 I1966 Y1968 D1994 I1995 S1996 | A1957-Q1992 PolarHBondContact O-OE1 2.97Å; P1963-Q1992 WeakPolarHBondContact O-CB 3.4Å; I1966-Q1992 HydrophobicContact CB-CB 3.82Å; I1966-Q1992 HydrophobicContact CD1-CB 4.33Å; I1966-Q1992 HydrophobicContact CG2-CB 4.31Å; I1966-Q1992 PolarHBondContact O-N 3.46Å; Y1968-Q1992 HydrophobicContact CE2-CB 3.75Å; Y1968-Q1992 WeakPolarHBondContact OH-CB 3.05Å; Q1992-D1994 VanDerWaalsContact C-N 3.29Å; Q1992-D1994 PolarHBondContact O-N 2.84Å; Q1992-I1995 VanDerWaalsContact NE2-CB 3.3Å; Q1992-I1995 VanDerWaalsContact NE2-CD1 3.27Å; Q1992-I1995 VanDerWaalsContact NE2-CG1 3.27Å; Q1992-I1995 PolarHBondContact O-N 2.63Å; Q1992-S1996 PolarHBondContact O-N 3.04Å; Q1992-S1996 PolarHBondContact O-OG 3.23Å |
| 1993 | T | 79.6 | Confident | 78.9 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -38.7 | -54.2 | -173 | -6.3 | 0 | 0 | 0 | 0 | 111.8 | Q1964 T1991 S1996 N1997 | Q1964-T1993 HydrophobicContact CG-CG2 4.49Å; T1991-T1993 PolarHBondContact O-N 3.02Å; T1991-T1993 PolarHBondContact OG1-OG1 2.78Å; T1993-S1996 CarbonylContact O-C 3.59Å; T1993-S1996 WeakPolarHBondContact O-CA 3.32Å; T1993-S1996 PolarHBondContact O-N 3.25Å; T1993-S1996 PolarHBondContact O-OG 3.39Å; T1993-N1997 VanDerWaalsContact C-ND2 3.32Å; T1993-N1997 VanDerWaalsContact CB-ND2 3.27Å; T1993-N1997 WeakPolarHBondContact CB-ND2 3.31Å; T1993-N1997 WeakPolarHBondContact CG2-ND2 3.4Å; T1993-N1997 WeakPolarHBondContact O-CA 3.27Å; T1993-N1997 WeakPolarHBondContact O-CB 3.36Å; T1993-N1997 PolarHBondContact O-N 3.18Å; T1993-N1997 PolarHBondContact O-ND2 3.31Å; T1993-N1997 PolarHBondContact O-OD1 3.32Å |
| 1994 | D | 82 | Confident | 79.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 13.7 | 179.1 | -25.9 | -38.4 | 0 | 0 | 0 | 120.3 | L348 P377 C379 W391 Q1992 N1997 G1998 H1999 | L348-D1994 HydrophobicContact CD1-CB 3.46Å; L348-D1994 VanDerWaalsContact CD1-CB 3.46Å; L348-D1994 VanDerWaalsContact CD1-OD1 3.23Å; L348-D1994 WeakPolarHBondContact CD1-OD1 3.42Å; P377-D1994 VanDerWaalsContact CB-CG 3.41Å; P377-D1994 WeakPolarHBondContact CB-OD1 3.3Å; P377-D1994 WeakPolarHBondContact CB-OD2 3.44Å; P377-D1994 VanDerWaalsContact CD-OD1 3.25Å; P377-D1994 WeakPolarHBondContact CD-OD1 3.19Å; P377-D1994 WeakPolarHBondContact CG-OD1 3.26Å; P377-D1994 WeakPolarHBondContact CG-OD2 3.49Å; C379-D1994 PolarHBondContact SG-OD2 2.7Å; W391-D1994 VanDerWaalsContact CB-C 3.41Å; W391-D1994 HydrophobicContact CB-CB 3.95Å; W391-D1994 WeakPolarHBondContact CB-O 3.44Å; W391-D1994 HydrophobicContact CD2-CB 3.3Å; W391-D1994 HydrophobicContact CE3-CB 3.38Å; W391-D1994 HydrophobicContact CG-CB 3.47Å; W391-D1994 VanDerWaalsContact CG-CB 3.47Å; W391-D1994 HydrophobicContact CH2-CB 4.46Å; W391-D1994 HydrophobicContact CZ2-CB 4.45Å; W391-D1994 WeakPolarHBondContact CZ2-OD2 3.21Å; W391-D1994 HydrophobicContact CZ3-CB 3.94Å; W391-D1994 PolarHBondContact NE1-OD2 2.77Å; Q1992-D1994 VanDerWaalsContact C-N 3.29Å; Q1992-D1994 PolarHBondContact O-N 2.84Å; D1994-N1997 HydrophobicContact CB-CB 3.87Å; D1994-N1997 WeakPolarHBondContact OD1-CB 3.37Å; D1994-N1997 VanDerWaalsContact OD1-CG 3.29Å; D1994-N1997 PolarHBondContact OD1-ND2 3.16Å; D1994-G1998 PolarHBondContact O-N 2.86Å; D1994-H1999 HydrophobicContact CB-CB 3.92Å; D1994-H1999 PolarHBondContact O-N 2.88Å; D1994-H1999 VanDerWaalsContact O-N 3.08Å; D1994-H1999 IonicContact OD2-CE1 2.81Å; D1994-H1999 PolarHBondContact OD2-CE1 2.99Å; D1994-H1999 IonicContact OD2-CG 2.69Å; D1994-H1999 IonicContact OD2-ND1 3.92Å; D1994-H1999 PolarHBondContact OD2-ND1 3.22Å |
| 1995 | I | 82.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -60.4 | 130.7 | -25.4 | 179.4 | 0 | 0 | 0 | 107.1 | P194 P195 V392 A1951 S1952 L1955 Y1968 F1990 Q1992 N1997 G1998 | P194-I1995 WeakPolarHBondContact CA-O 3.43Å; P194-I1995 WeakPolarHBondContact CB-O 3.16Å; P195-I1995 WeakPolarHBondContact CD-O 3.44Å; V392-I1995 HydrophobicContact CG2-CG2 4.22Å; A1951-I1995 HydrophobicContact CB-CG2 4.4Å; S1952-I1995 VanDerWaalsContact OG-CG2 3.27Å; S1952-I1995 WeakPolarHBondContact OG-CG2 3.46Å; L1955-I1995 HydrophobicContact CB-CG2 3.81Å; L1955-I1995 HydrophobicContact CD2-CD1 3.98Å; L1955-I1995 HydrophobicContact CD2-CG1 4.47Å; L1955-I1995 HydrophobicContact CD2-CG2 3.78Å; L1955-I1995 HydrophobicContact CG-CD1 4.06Å; L1955-I1995 HydrophobicContact CG-CG2 4.16Å; L1955-I1995 WeakPolarHBondContact O-CD1 3.48Å; L1955-I1995 WeakPolarHBondContact O-CG2 3.46Å; Y1968-I1995 HydrophobicContact CE1-CD1 3.8Å; F1990-I1995 HydrophobicContact CD2-CD1 3.76Å; F1990-I1995 HydrophobicContact CD2-CG1 3.36Å; F1990-I1995 HydrophobicContact CE2-CD1 3.4Å; F1990-I1995 HydrophobicContact CE2-CG1 3.3Å; Q1992-I1995 VanDerWaalsContact NE2-CB 3.3Å; Q1992-I1995 VanDerWaalsContact NE2-CD1 3.27Å; Q1992-I1995 VanDerWaalsContact NE2-CG1 3.27Å; Q1992-I1995 PolarHBondContact O-N 2.63Å; I1995-N1997 PolarHBondContact O-N 3.3Å; I1995-G1998 PolarHBondContact O-N 3.06Å |
| 1996 | S | 72.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 11.9 | -173.5 | 61 | 0 | 0 | 0 | 0 | 116.1 | V192 P194 T373 Q1992 T1993 | V192-S1996 VanDerWaalsContact O-O 3.06Å; P194-S1996 WeakPolarHBondContact CD-O 3.43Å; T373-S1996 PolarHBondContact N-O 3.16Å; T373-S1996 WeakPolarHBondContact OG1-CB 3.04Å; T373-S1996 PolarHBondContact OG1-O 2.68Å; T373-S1996 PolarHBondContact OG1-OG 2.98Å; Q1992-S1996 PolarHBondContact O-N 3.04Å; Q1992-S1996 PolarHBondContact O-OG 3.23Å; T1993-S1996 CarbonylContact O-C 3.59Å; T1993-S1996 WeakPolarHBondContact O-CA 3.32Å; T1993-S1996 PolarHBondContact O-N 3.25Å; T1993-S1996 PolarHBondContact O-OG 3.39Å |
| 1997 | N | 75 | Confident | 80.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -22.4 | -174.8 | -62.5 | -10.5 | 0 | 0 | 0 | 113.6 | V192 I193 L348 M349 T373 D375 P377 T1993 D1994 I1995 | V192-N1997 HydrophobicContact CB-CB 3.39Å; V192-N1997 WeakPolarHBondContact CB-OD1 3.36Å; V192-N1997 HydrophobicContact CG1-CB 3.48Å; V192-N1997 VanDerWaalsContact CG1-CB 3.48Å; V192-N1997 HydrophobicContact CG2-CB 4.17Å; V192-N1997 VanDerWaalsContact CG2-CG 3.41Å; V192-N1997 WeakPolarHBondContact CG2-OD1 3.32Å; I193-N1997 CarbonylContact C-O 3.49Å; I193-N1997 PolarHBondContact N-O 3Å; I193-N1997 VanDerWaalsContact N-O 3.13Å; I193-N1997 CarbonylContact O-C 3.58Å; L348-N1997 VanDerWaalsContact CD1-C 3.47Å; L348-N1997 HydrophobicContact CD1-CB 3.44Å; L348-N1997 VanDerWaalsContact CD1-CB 3.44Å; L348-N1997 VanDerWaalsContact CD1-O 3.28Å; L348-N1997 WeakPolarHBondContact CD1-O 3.31Å; L348-N1997 HydrophobicContact CG-CB 4.44Å; L348-N1997 WeakPolarHBondContact CG-O 3.3Å; M349-N1997 PolarHBondContact N-O 3.1Å; T373-N1997 WeakPolarHBondContact CB-OD1 3.34Å; T373-N1997 PolarHBondContact OG1-OD1 2.77Å; D375-N1997 PolarHBondContact O-ND2 3.14Å; P377-N1997 WeakPolarHBondContact CD-ND2 3.43Å; T1993-N1997 VanDerWaalsContact C-ND2 3.32Å; T1993-N1997 VanDerWaalsContact CB-ND2 3.27Å; T1993-N1997 WeakPolarHBondContact CB-ND2 3.31Å; T1993-N1997 WeakPolarHBondContact CG2-ND2 3.4Å; T1993-N1997 WeakPolarHBondContact O-CA 3.27Å; T1993-N1997 WeakPolarHBondContact O-CB 3.36Å; T1993-N1997 PolarHBondContact O-N 3.18Å; T1993-N1997 PolarHBondContact O-ND2 3.31Å; T1993-N1997 PolarHBondContact O-OD1 3.32Å; D1994-N1997 HydrophobicContact CB-CB 3.87Å; D1994-N1997 WeakPolarHBondContact OD1-CB 3.37Å; D1994-N1997 VanDerWaalsContact OD1-CG 3.29Å; D1994-N1997 PolarHBondContact OD1-ND2 3.16Å; I1995-N1997 PolarHBondContact O-N 3.3Å |
| 1998 | G | 66.7 | Low | 81.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 139.6 | -13 | 158.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | I193 P194 P195 S347 L348 D1994 I1995 I2000 | I193-G1998 WeakPolarHBondContact O-CA 3.34Å; I193-G1998 PolarHBondContact O-N 3.01Å; P194-G1998 VanDerWaalsContact C-CA 3.43Å; P195-G1998 WeakPolarHBondContact CA-O 3.46Å; P195-G1998 WeakPolarHBondContact CB-O 3.39Å; P195-G1998 WeakPolarHBondContact CG-O 3.4Å; P195-G1998 VanDerWaalsContact N-CA 3.32Å; S347-G1998 VanDerWaalsContact C-C 3.45Å; S347-G1998 CarbonylContact C-O 3.54Å; S347-G1998 WeakPolarHBondContact CA-O 3.34Å; L348-G1998 VanDerWaalsContact CA-CA 3.41Å; L348-G1998 PolarHBondContact N-O 2.78Å; D1994-G1998 PolarHBondContact O-N 2.86Å; I1995-G1998 PolarHBondContact O-N 3.06Å; G1998-I2000 PolarHBondContact O-N 3.28Å |
| 1999 | H | 77.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -63.6 | -0.6 | -145.1 | -103.1 | 141.4 | 0 | 0 | 0 | 121.9 | S224 L348 C379 L380 W391 W1981 S1982 D1994 | S224-H1999 PolarHBondContact OG-CD2 2.88Å; S224-H1999 PolarHBondContact OG-NE2 3.34Å; L348-H1999 HydrophobicContact CB-CB 3.9Å; L348-H1999 WeakPolarHBondContact CB-CD2 3.24Å; L348-H1999 HydrophobicContact CD1-CB 4.39Å; C379-H1999 PolarHBondContact SG-CE1 2.86Å; C379-H1999 PolarHBondContact SG-ND1 2.7Å; C379-H1999 VanDerWaalsContact SG-ND1 3.45Å; L380-H1999 WeakPolarHBondContact CD2-NE2 3.2Å; W391-H1999 HydrophobicContact CB-CB 4.32Å; W391-H1999 AromaticContact CD1-CG 3.86Å; W391-H1999 AromaticContact CD1-ND1 3.52Å; W391-H1999 HydrophobicContact CG-CB 4.17Å; W391-H1999 AromaticContact NE1-ND1 3.55Å; W1981-H1999 HydrophobicContact CE3-CB 4.24Å; W1981-H1999 AromaticContact CE3-CD2 3.6Å; W1981-H1999 AromaticContact CE3-CE1 3.88Å; W1981-H1999 AromaticContact CE3-CG 3.75Å; W1981-H1999 AromaticContact CE3-ND1 3.9Å; W1981-H1999 AromaticContact CE3-NE2 3.72Å; W1981-H1999 HydrophobicContact CZ3-CB 4.33Å; W1981-H1999 AromaticContact CZ3-CE1 3.61Å; W1981-H1999 AromaticContact CZ3-CG 3.81Å; W1981-H1999 AromaticContact CZ3-ND1 3.45Å; W1981-H1999 WeakPolarHBondContact CZ3-ND1 3.21Å; S1982-H1999 WeakPolarHBondContact CA-O 3.23Å; S1982-H1999 WeakPolarHBondContact CB-O 3.29Å; S1982-H1999 PolarHBondContact N-O 3.05Å; S1982-H1999 PolarHBondContact OG-O 2.98Å; S1982-H1999 VanDerWaalsContact OG-O 3.07Å; D1994-H1999 HydrophobicContact CB-CB 3.92Å; D1994-H1999 PolarHBondContact O-N 2.88Å; D1994-H1999 VanDerWaalsContact O-N 3.08Å; D1994-H1999 IonicContact OD2-CE1 2.81Å; D1994-H1999 PolarHBondContact OD2-CE1 2.99Å; D1994-H1999 IonicContact OD2-CG 2.69Å; D1994-H1999 IonicContact OD2-ND1 3.92Å; D1994-H1999 PolarHBondContact OD2-ND1 3.22Å | ||
| 2000 | I | 86.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 153 | -139.7 | -31.8 | -78.5 | 0 | 0 | 0 | 119.2 | P195 C388 W391 V392 V1949 L1979 Q1980 L1987 G1998 | P195-I2000 VanDerWaalsContact CB-O 3.31Å; P195-I2000 WeakPolarHBondContact CB-O 3.32Å; P195-I2000 HydrophobicContact CG-CB 4.29Å; P195-I2000 HydrophobicContact CG-CG1 4.34Å; C388-I2000 WeakPolarHBondContact O-CD1 3.19Å; W391-I2000 VanDerWaalsContact CA-CG1 3.47Å; W391-I2000 HydrophobicContact CB-CD1 3.43Å; W391-I2000 VanDerWaalsContact CB-CD1 3.43Å; W391-I2000 HydrophobicContact CB-CG1 3.49Å; W391-I2000 VanDerWaalsContact CB-CG1 3.49Å; W391-I2000 HydrophobicContact CG-CD1 4.04Å; W391-I2000 WeakPolarHBondContact O-CG1 3.47Å; V392-I2000 HydrophobicContact CB-CB 3.49Å; V392-I2000 VanDerWaalsContact CB-CB 3.49Å; V392-I2000 HydrophobicContact CB-CG1 3.96Å; V392-I2000 HydrophobicContact CB-CG2 3.32Å; V392-I2000 HydrophobicContact CG1-CB 3.92Å; V392-I2000 HydrophobicContact CG1-CG2 3.44Å; V392-I2000 VanDerWaalsContact CG1-CG2 3.44Å; V392-I2000 HydrophobicContact CG2-CB 3.99Å; V392-I2000 HydrophobicContact CG2-CG1 4.31Å; V392-I2000 HydrophobicContact CG2-CG2 4.35Å; V1949-I2000 WeakPolarHBondContact CG1-O 3.33Å; V1949-I2000 WeakPolarHBondContact CG2-O 3.34Å; L1979-I2000 HydrophobicContact CD2-CG2 4.09Å; Q1980-I2000 VanDerWaalsContact O-CG2 3.3Å; Q1980-I2000 WeakPolarHBondContact O-CG2 3.38Å; L1987-I2000 HydrophobicContact CD1-CD1 3.94Å; L1987-I2000 HydrophobicContact CD1-CG2 3.29Å; L1987-I2000 HydrophobicContact CD2-CG2 4.26Å; L1987-I2000 HydrophobicContact CG-CG2 4.42Å; G1998-I2000 PolarHBondContact O-N 3.28Å |
| 2001 | V | 82.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | -164.2 | 91.4 | -112.5 | 150.3 | 0 | 0 | 0 | 0 | 110.8 | R345 S347 V1949 L1979 Q1980 W1981 | R345-V2001 HydrophobicContact CB-CG2 4.38Å; R345-V2001 VanDerWaalsContact CD-CG1 3.46Å; R345-V2001 HydrophobicContact CG-CB 4.19Å; R345-V2001 HydrophobicContact CG-CG1 3.92Å; R345-V2001 HydrophobicContact CG-CG2 4.01Å; R345-V2001 PolarHBondContact NH2-O 3.12Å; S347-V2001 WeakPolarHBondContact OG-CG2 3.19Å; V1949-V2001 HydrophobicContact CG2-CB 4.36Å; V1949-V2001 HydrophobicContact CG2-CG2 3.79Å; L1979-V2001 VanDerWaalsContact CD2-C 3.46Å; L1979-V2001 WeakPolarHBondContact CD2-O 3.32Å; Q1980-V2001 HydrophobicContact CB-CG1 4.23Å; Q1980-V2001 PolarHBondContact N-O 2.83Å; Q1980-V2001 WeakPolarHBondContact O-CB 3.2Å; W1981-V2001 WeakPolarHBondContact O-CG1 3.3Å | |
| 2002 | Y | 88.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.4 | 175.6 | 165.1 | -91.9 | 0 | 0 | 0 | 112.5 | R345 Q1947 V1948 P1974 S1978 L1979 P2004 D2012 I2032 | R345-Y2002 WeakPolarHBondContact CG-O 3.45Å; R345-Y2002 VanDerWaalsContact NE-C 3.35Å; R345-Y2002 PolarHBondContact NE-O 3.3Å; Q1947-Y2002 CarbonylContact C-O 3.54Å; V1948-Y2002 HydrophobicContact CB-CD1 3.77Å; V1948-Y2002 HydrophobicContact CB-CE1 4.46Å; V1948-Y2002 HydrophobicContact CG2-CD1 3.73Å; V1948-Y2002 HydrophobicContact CG2-CE1 3.94Å; V1948-Y2002 PolarHBondContact N-O 2.92Å; V1948-Y2002 CarbonylContact O-C 3.31Å; V1948-Y2002 VanDerWaalsContact O-CA 3.23Å; V1948-Y2002 WeakPolarHBondContact O-CA 3.32Å; V1948-Y2002 VanDerWaalsContact O-CB 3.24Å; V1948-Y2002 WeakPolarHBondContact O-CB 3.39Å; V1948-Y2002 PolarHBondContact O-N 3.49Å; P1974-Y2002 HydrophobicContact CB-CE2 4.04Å; P1974-Y2002 HydrophobicContact CG-CD2 4.05Å; P1974-Y2002 HydrophobicContact CG-CE2 3.98Å; S1978-Y2002 CarbonylContact O-C 3.58Å; S1978-Y2002 WeakPolarHBondContact O-CA 3.35Å; L1979-Y2002 HydrophobicContact CD1-CD2 3.98Å; L1979-Y2002 HydrophobicContact CG-CD2 4.07Å; L1979-Y2002 HydrophobicContact CG-CG 4.44Å; Y2002-P2004 WeakPolarHBondContact OH-CA 3.45Å; Y2002-D2012 HydrophobicContact CE2-CB 4.46Å; Y2002-D2012 WeakPolarHBondContact CE2-OD2 3.21Å; Y2002-D2012 WeakPolarHBondContact OH-CB 3.29Å; Y2002-D2012 PolarHBondContact OH-OD2 2.88Å; Y2002-I2032 HydrophobicContact CD1-CD1 3.67Å; Y2002-I2032 HydrophobicContact CD1-CG2 4.49Å; Y2002-I2032 HydrophobicContact CD2-CD1 3.4Å; Y2002-I2032 HydrophobicContact CE1-CD1 3.58Å; Y2002-I2032 HydrophobicContact CE1-CG2 4.05Å; Y2002-I2032 HydrophobicContact CE2-CD1 3.33Å; Y2002-I2032 HydrophobicContact CG-CD1 3.58Å; Y2002-I2032 VanDerWaalsContact CZ-CD1 3.44Å |
| 2003 | K | 84.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 28.5 Ų | 28.5 | 39% | 0.391 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 121.6 | 178.6 | 166 | 175.5 | 178.1 | 178.1 | 0 | 111.5 | R345 Q1947 G1977 S1978 | R345-K2003 VanDerWaalsContact CZ-CB 3.41Å; R345-K2003 VanDerWaalsContact NH2-CB 3.25Å; Q1947-K2003 HydrophobicContact CB-CB 4.29Å; G1977-K2003 CarbonylContact C-O 3.32Å; G1977-K2003 VanDerWaalsContact C-O 3.27Å; G1977-K2003 WeakPolarHBondContact CA-O 3.49Å; S1978-K2003 PolarHBondContact N-O 3.26Å; S1978-K2003 PolarHBondContact O-N 3.2Å; S1978-K2003 PolarHBondContact OG-O 3.28Å |
| 2004 | P | 82.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 138.1 | 168.5 | 24.8 | -35.6 | 0 | 0 | 0 | 112.1 | Y1941 R1946 N1976 Y2002 | Y1941-P2004 HydrophobicContact CE2-CG 4.47Å; R1946-P2004 VanDerWaalsContact O-CD 3.24Å; R1946-P2004 WeakPolarHBondContact O-CD 3.4Å; R1946-P2004 WeakPolarHBondContact O-CG 3.4Å; N1976-P2004 CarbonylContact O-C 3.57Å; N1976-P2004 VanDerWaalsContact O-CA 3.25Å; N1976-P2004 WeakPolarHBondContact O-CA 3.44Å; Y2002-P2004 WeakPolarHBondContact OH-CA 3.45Å |
| 2005 | T | 83.4 | Confident | 82.3 | Confident | 82 Ų | 82 | 28.5 Ų | 28.5 | 50% | 0.503 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -110.5 | -33.6 | 174.2 | 54.6 | 0 | 0 | 0 | 0 | 110 | N1976 G1977 | N1976-T2005 PolarHBondContact O-N 3.14Å; N1976-T2005 PolarHBondContact O-OG1 2.88Å; G1977-T2005 VanDerWaalsContact CA-OG1 3.3Å; G1977-T2005 WeakPolarHBondContact CA-OG1 3.36Å; G1977-T2005 PolarHBondContact N-OG1 3.01Å; G1977-T2005 WeakPolarHBondContact O-CG2 3.36Å; G1977-T2005 PolarHBondContact O-OG1 3.43Å |
| 2006 | N | 82.5 | Confident | 82.5 | Confident | 56 Ų | 56 | 28.5 Ų | 28.5 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | trans | -101.8 | 91.7 | 175.8 | 177.4 | 16.2 | 0 | 0 | 0 | 111 | N1976 H2008 A2009 | N1976-N2006 HydrophobicContact CB-CB 3.78Å; N1976-N2006 PolarHBondContact O-N 3.38Å; N1976-N2006 PolarHBondContact OD1-ND2 3.06Å; N2006-H2008 PolarHBondContact O-N 2.92Å; N2006-H2008 WeakPolarHBondContact OD1-CB 3.36Å; N2006-H2008 PolarHBondContact OD1-N 3.46Å; N2006-H2008 VanDerWaalsContact OD1-N 3.09Å; N2006-A2009 PolarHBondContact O-N 2.58Å; N2006-A2009 VanDerWaalsContact O-N 3.1Å | ||
| 2007 | M | 79.5 | Confident | 83.1 | Confident | 69 Ų | 69 | 28.4 Ų | 28.4 | 34% | 0.34 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 7.6 | 176.5 | -62.7 | -66.2 | -64.6 | 0 | 0 | 114.6 | R1946 Q2137 P2138 | R1946-M2007 HydrophobicContact CG-CE 4.29Å; M2007-Q2137 HydrophobicContact CB-CB 4.47Å; M2007-Q2137 HydrophobicContact CE-CB 3.93Å; M2007-Q2137 HydrophobicContact CE-CG 4.37Å; M2007-Q2137 WeakPolarHBondContact O-CA 3.24Å; M2007-Q2137 VanDerWaalsContact O-CB 3.25Å; M2007-Q2137 WeakPolarHBondContact O-CB 3.46Å; M2007-P2138 VanDerWaalsContact O-CD 3.29Å; M2007-P2138 WeakPolarHBondContact O-CD 3.29Å |
| 2008 | H | 82.1 | Confident | 83.7 | Confident | 142 Ų | 142 | 28.4 Ų | 28.4 | 66% | 0.657 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -4.2 | 171.7 | -61.6 | -73.6 | 0 | 0 | 0 | 113.5 | N2006 | N2006-H2008 PolarHBondContact O-N 2.92Å; N2006-H2008 WeakPolarHBondContact OD1-CB 3.36Å; N2006-H2008 PolarHBondContact OD1-N 3.46Å; N2006-H2008 VanDerWaalsContact OD1-N 3.09Å |
| 2009 | A | 81.4 | Confident | 84.6 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | trans | -101.1 | 138.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1976 N2006 K2011 | N1976-A2009 HydrophobicContact CB-CB 3.73Å; N1976-A2009 WeakPolarHBondContact OD1-CB 3.35Å; N2006-A2009 PolarHBondContact O-N 2.58Å; N2006-A2009 VanDerWaalsContact O-N 3.1Å; A2009-K2011 VanDerWaalsContact CB-O 3.28Å; A2009-K2011 WeakPolarHBondContact CB-O 3.45Å | ||
| 2010 | Y | 85.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 28.5 Ų | 28.5 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -98.8 | -4.1 | 170.5 | 71.7 | -89.9 | 0 | 0 | 0 | 112.8 | W2033 V2034 P2138 I2140 | Y2010-W2033 HydrophobicContact CD2-CE3 4.16Å; Y2010-W2033 HydrophobicContact CD2-CZ3 4.32Å; Y2010-W2033 HydrophobicContact CE2-CE3 4.02Å; Y2010-W2033 AromaticContact CE2-CZ3 3.73Å; Y2010-W2033 HydrophobicContact CE2-CZ3 3.73Å; Y2010-V2034 WeakPolarHBondContact O-CG2 3.43Å; Y2010-V2034 PolarHBondContact O-N 2.79Å; Y2010-P2138 WeakPolarHBondContact CA-O 3.41Å; Y2010-P2138 VanDerWaalsContact CB-O 3.24Å; Y2010-P2138 WeakPolarHBondContact CB-O 3.3Å; Y2010-I2140 HydrophobicContact CD2-CB 3.9Å; Y2010-I2140 HydrophobicContact CD2-CG2 3.52Å; Y2010-I2140 HydrophobicContact CE2-CB 4.16Å; Y2010-I2140 HydrophobicContact CE2-CD1 3.95Å; Y2010-I2140 HydrophobicContact CE2-CG2 3.8Å; Y2010-I2140 HydrophobicContact CG-CG2 4.49Å |
| 2011 | K | 87.7 | Confident | 84.2 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149 | 169.9 | 80 | 178.5 | -173.1 | 86.4 | 0 | 107.7 | D398 A2009 I2032 | D398-K2011 IonicContact OD1-NZ 2.82Å; D398-K2011 PolarHBondContact OD1-NZ 2.75Å; D398-K2011 IonicContact OD2-NZ 3.26Å; D398-K2011 PolarHBondContact OD2-NZ 3.04Å; A2009-K2011 VanDerWaalsContact CB-O 3.28Å; A2009-K2011 WeakPolarHBondContact CB-O 3.45Å; K2011-I2032 CarbonylContact C-O 3.48Å; K2011-I2032 VanDerWaalsContact CA-O 3.28Å; K2011-I2032 WeakPolarHBondContact CA-O 3.29Å |
| 2012 | D | 86.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 158.7 | 156.4 | -169.2 | 35 | 0 | 0 | 0 | 112.2 | P1974 N1976 G1977 Y2002 I2032 | P1974-D2012 WeakPolarHBondContact CB-OD2 3.4Å; N1976-D2012 VanDerWaalsContact C-CG 3.41Å; N1976-D2012 VanDerWaalsContact C-OD2 3.24Å; N1976-D2012 VanDerWaalsContact CA-OD1 3.23Å; N1976-D2012 WeakPolarHBondContact CA-OD1 3Å; N1976-D2012 HydrophobicContact CB-CB 3.75Å; N1976-D2012 WeakPolarHBondContact CB-OD1 3.36Å; N1976-D2012 PolarHBondContact N-OD1 3.24Å; N1976-D2012 PolarHBondContact ND2-OD1 2.86Å; G1977-D2012 WeakPolarHBondContact CA-OD2 3.38Å; G1977-D2012 PolarHBondContact N-OD2 3.42Å; Y2002-D2012 HydrophobicContact CE2-CB 4.46Å; Y2002-D2012 WeakPolarHBondContact CE2-OD2 3.21Å; Y2002-D2012 WeakPolarHBondContact OH-CB 3.29Å; Y2002-D2012 PolarHBondContact OH-OD2 2.88Å; D2012-I2032 PolarHBondContact N-O 3.18Å; D2012-I2032 WeakPolarHBondContact O-CA 3.5Å; D2012-I2032 WeakPolarHBondContact O-CB 3.39Å; D2012-I2032 VanDerWaalsContact O-CG1 3.29Å; D2012-I2032 WeakPolarHBondContact O-CG1 2.98Å; D2012-I2032 PolarHBondContact O-N 2.94Å |
| 2013 | Q | 88.2 | Confident | 83 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -162.9 | 142.2 | -169.3 | 27.3 | 153.6 | 59.8 | 0 | 0 | 114.5 | A396 T397 D398 R504 P1974 S2031 | A396-Q2013 HydrophobicContact CB-CB 3.42Å; A396-Q2013 VanDerWaalsContact CB-CB 3.42Å; A396-Q2013 CarbonylContact O-C 3.6Å; A396-Q2013 WeakPolarHBondContact O-CA 3.1Å; A396-Q2013 WeakPolarHBondContact O-CB 3.33Å; T397-Q2013 CarbonylContact C-O 3.49Å; T397-Q2013 HydrophobicContact CG2-CB 4.42Å; T397-Q2013 CarbonylContact O-C 3.52Å; T397-Q2013 WeakPolarHBondContact O-CA 3.49Å; T397-Q2013 WeakPolarHBondContact O-CB 3.45Å; T397-Q2013 WeakPolarHBondContact O-CG 3.48Å; T397-Q2013 PolarHBondContact O-NE2 2.96Å; T397-Q2013 VanDerWaalsContact O-O 3.08Å; T397-Q2013 PolarHBondContact OG1-NE2 2.91Å; T397-Q2013 VanDerWaalsContact OG1-NE2 3.13Å; D398-Q2013 CarbonylContact C-O 3.56Å; D398-Q2013 VanDerWaalsContact CA-O 3.31Å; D398-Q2013 WeakPolarHBondContact CA-O 3.49Å; D398-Q2013 HydrophobicContact CB-CG 4.37Å; D398-Q2013 WeakPolarHBondContact CB-O 3.47Å; D398-Q2013 PolarHBondContact N-O 3.06Å; D398-Q2013 VanDerWaalsContact O-O 3.05Å; D398-Q2013 PolarHBondContact OD1-NE2 2.92Å; D398-Q2013 WeakPolarHBondContact OD2-CG 3.35Å; D398-Q2013 PolarHBondContact OD2-NE2 3.22Å; R504-Q2013 VanDerWaalsContact CB-OE1 3.25Å; P1974-Q2013 WeakPolarHBondContact CA-O 3.03Å; Q2013-S2031 PolarHBondContact OE1-OG 3.27Å | ||
| 2014 | F | 87.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -142.9 | 143.9 | -175.6 | 62.1 | -55.3 | 0 | 0 | 0 | 117 | K393 T394 A396 T397 I1939 I1950 Q1972 Q1973 P1974 L1979 I2032 | K393-F2014 HydrophobicContact CB-CD2 3.86Å; K393-F2014 HydrophobicContact CG-CB 4.4Å; K393-F2014 HydrophobicContact CG-CD2 3.78Å; K393-F2014 CarbonylContact O-C 2.69Å; K393-F2014 VanDerWaalsContact O-C 3.27Å; K393-F2014 WeakPolarHBondContact O-CD2 3.5Å; K393-F2014 VanDerWaalsContact O-O 3.11Å; T394-F2014 WeakPolarHBondContact O-CE2 3.37Å; T394-F2014 WeakPolarHBondContact O-CZ 3.43Å; A396-F2014 CarbonylContact C-O 2.78Å; A396-F2014 VanDerWaalsContact CA-O 3.23Å; A396-F2014 WeakPolarHBondContact CA-O 3.34Å; A396-F2014 PolarHBondContact N-O 2.86Å; A396-F2014 CarbonylContact O-C 3.23Å; A396-F2014 WeakPolarHBondContact O-CA 3.45Å; A396-F2014 WeakPolarHBondContact O-CD1 3.42Å; A396-F2014 PolarHBondContact O-N 3.05Å; T397-F2014 PolarHBondContact N-O 2.65Å; I1939-F2014 HydrophobicContact CD1-CE1 3.76Å; I1939-F2014 HydrophobicContact CD1-CZ 3.52Å; I1950-F2014 HydrophobicContact CD1-CE1 4.43Å; I1950-F2014 HydrophobicContact CD1-CE2 3.47Å; I1950-F2014 VanDerWaalsContact CD1-CE2 3.47Å; I1950-F2014 HydrophobicContact CD1-CZ 3.31Å; I1950-F2014 HydrophobicContact CG1-CZ 4.24Å; Q1972-F2014 CarbonylContact O-C 3.54Å; Q1973-F2014 WeakPolarHBondContact O-CA 3.32Å; P1974-F2014 HydrophobicContact CB-CB 3.97Å; P1974-F2014 HydrophobicContact CG-CB 3.66Å; P1974-F2014 HydrophobicContact CG-CG 4.23Å; L1979-F2014 HydrophobicContact CD1-CB 4.21Å; L1979-F2014 HydrophobicContact CD1-CD1 4.29Å; L1979-F2014 HydrophobicContact CD1-CD2 2.86Å; L1979-F2014 HydrophobicContact CD1-CE2 3.04Å; L1979-F2014 HydrophobicContact CD1-CG 3.58Å; L1979-F2014 HydrophobicContact CD1-CZ 3.97Å; L1979-F2014 HydrophobicContact CG-CD2 4.33Å; L1979-F2014 HydrophobicContact CG-CE2 4.45Å; F2014-I2032 HydrophobicContact CD1-CD1 3.8Å; F2014-I2032 HydrophobicContact CD1-CG1 4.11Å; F2014-I2032 HydrophobicContact CE1-CD1 3.41Å; F2014-I2032 VanDerWaalsContact CE1-CD1 3.41Å; F2014-I2032 HydrophobicContact CE1-CG1 3.49Å; F2014-I2032 VanDerWaalsContact CE1-CG1 3.49Å; F2014-I2032 HydrophobicContact CZ-CD1 4.1Å; F2014-I2032 HydrophobicContact CZ-CG1 4.35Å |
| 2015 | Q | 86.2 | Confident | 82.6 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | trans | -120.9 | 147.4 | -162.3 | -60.8 | 175.5 | -36.9 | 0 | 0 | 119.1 | K393 T397 V427 N505 I506 P507 V1970 Q1972 | K393-Q2015 CarbonylContact O-C 2.99Å; K393-Q2015 PolarHBondContact O-N 2.97Å; T397-Q2015 VanDerWaalsContact CA-CG 3.43Å; V427-Q2015 VanDerWaalsContact CG1-O 3.28Å; V427-Q2015 WeakPolarHBondContact CG1-O 3.45Å; N505-Q2015 PolarHBondContact O-NE2 2.9Å; I506-Q2015 PolarHBondContact O-NE2 3.45Å; P507-Q2015 VanDerWaalsContact CA-OE1 3.27Å; P507-Q2015 HydrophobicContact CB-CB 3.48Å; P507-Q2015 VanDerWaalsContact CB-CB 3.48Å; P507-Q2015 HydrophobicContact CB-CG 3.68Å; P507-Q2015 HydrophobicContact CG-CB 3.5Å; P507-Q2015 VanDerWaalsContact CG-CB 3.5Å; P507-Q2015 VanDerWaalsContact CG-CD 3.5Å; P507-Q2015 HydrophobicContact CG-CG 3.57Å; V1970-Q2015 WeakPolarHBondContact CG1-O 3.48Å; Q1972-Q2015 HydrophobicContact CB-CB 3.63Å; Q1972-Q2015 HydrophobicContact CB-CG 3.64Å; Q1972-Q2015 HydrophobicContact CG-CG 4.35Å; Q1972-Q2015 PolarHBondContact O-N 2.89Å | ||
| 2016 | L | 86.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -151.9 | -174.9 | -168.6 | -115.5 | -177.3 | 0 | 0 | 0 | 117.4 | V392 K393 T394 V427 D429 V1970 F1990 N2027 Q2028 | V392-L2016 WeakPolarHBondContact O-CD1 3.36Å; K393-L2016 VanDerWaalsContact C-CD2 3.47Å; K393-L2016 HydrophobicContact CB-CD1 4.26Å; K393-L2016 HydrophobicContact CB-CD2 3.44Å; K393-L2016 VanDerWaalsContact CB-CD2 3.44Å; K393-L2016 HydrophobicContact CB-CG 4.44Å; K393-L2016 WeakPolarHBondContact O-CD2 3.46Å; T394-L2016 HydrophobicContact CG2-CB 3.07Å; T394-L2016 HydrophobicContact CG2-CD1 4.42Å; T394-L2016 HydrophobicContact CG2-CG 4.35Å; T394-L2016 VanDerWaalsContact N-CD1 3.32Å; T394-L2016 WeakPolarHBondContact OG1-CB 3.15Å; T394-L2016 WeakPolarHBondContact OG1-CD1 2.93Å; V427-L2016 CarbonylContact O-C 3.55Å; V427-L2016 WeakPolarHBondContact O-CA 3.32Å; V427-L2016 WeakPolarHBondContact O-CB 3.48Å; V427-L2016 WeakPolarHBondContact O-CG 3.47Å; D429-L2016 HydrophobicContact CB-CD1 3.32Å; D429-L2016 HydrophobicContact CB-CD2 3.38Å; D429-L2016 HydrophobicContact CB-CG 3.23Å; D429-L2016 WeakPolarHBondContact O-CD1 3.39Å; V1970-L2016 HydrophobicContact CB-CD2 3.78Å; V1970-L2016 HydrophobicContact CG1-CD2 3.24Å; V1970-L2016 HydrophobicContact CG2-CD2 3.74Å; F1990-L2016 HydrophobicContact CE1-CD1 3.91Å; F1990-L2016 HydrophobicContact CZ-CD1 3.59Å; L2016-N2027 CarbonylContact O-C 2.78Å; L2016-N2027 VanDerWaalsContact O-C 3.3Å; L2016-N2027 WeakPolarHBondContact O-CA 3.19Å; L2016-N2027 PolarHBondContact O-N 3.11Å; L2016-Q2028 PolarHBondContact O-N 3Å |
| 2017 | K | 85.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -151.6 | -115.4 | -153.3 | -136.1 | -174.6 | 147.5 | -179.7 | 0 | 111.3 | F424 S426 V427 L428 A430 F431 V509 I2025 D2026 N2027 | F424-K2017 VanDerWaalsContact C-NZ 3.34Å; F424-K2017 VanDerWaalsContact CB-CE 3.44Å; F424-K2017 VanDerWaalsContact CB-NZ 3.26Å; F424-K2017 VanDerWaalsContact CD1-NZ 3.33Å; F424-K2017 VanDerWaalsContact O-CD 3.25Å; F424-K2017 WeakPolarHBondContact O-CD 3.22Å; F424-K2017 WeakPolarHBondContact O-CE 3.4Å; F424-K2017 PolarHBondContact O-NZ 2.95Å; S426-K2017 PolarHBondContact OG-NZ 3.16Å; V427-K2017 HydrophobicContact CB-CB 3.64Å; V427-K2017 HydrophobicContact CB-CD 3.15Å; V427-K2017 HydrophobicContact CB-CG 3.58Å; V427-K2017 HydrophobicContact CG1-CB 4.18Å; V427-K2017 HydrophobicContact CG1-CD 4.39Å; V427-K2017 HydrophobicContact CG1-CG 4.41Å; V427-K2017 HydrophobicContact CG2-CD 3.58Å; V427-K2017 HydrophobicContact CG2-CG 4.36Å; V427-K2017 WeakPolarHBondContact O-CA 3.39Å; V427-K2017 WeakPolarHBondContact O-CB 3.49Å; V427-K2017 PolarHBondContact O-N 3.24Å; L428-K2017 HydrophobicContact CB-CB 3.83Å; L428-K2017 HydrophobicContact CB-CD 4.33Å; L428-K2017 HydrophobicContact CB-CG 4.39Å; L428-K2017 HydrophobicContact CD2-CB 3.42Å; L428-K2017 VanDerWaalsContact CD2-CB 3.42Å; L428-K2017 HydrophobicContact CD2-CD 3.91Å; L428-K2017 HydrophobicContact CD2-CG 3.42Å; L428-K2017 VanDerWaalsContact CD2-CG 3.42Å; L428-K2017 HydrophobicContact CG-CB 3.62Å; L428-K2017 HydrophobicContact CG-CD 3.66Å; L428-K2017 HydrophobicContact CG-CG 3.69Å; A430-K2017 VanDerWaalsContact CA-N 3.28Å; A430-K2017 WeakPolarHBondContact CA-O 3.49Å; A430-K2017 WeakPolarHBondContact CB-O 3.01Å; F431-K2017 WeakPolarHBondContact CB-O 3.27Å; F431-K2017 WeakPolarHBondContact CD2-O 3.39Å; V509-K2017 HydrophobicContact CG2-CD 3.77Å; V509-K2017 HydrophobicContact CG2-CG 4.18Å; K2017-I2025 CarbonylContact C-O 3.52Å; K2017-I2025 VanDerWaalsContact CA-O 3.29Å; K2017-I2025 WeakPolarHBondContact CA-O 3.46Å; K2017-D2026 VanDerWaalsContact CA-N 3.32Å; K2017-D2026 VanDerWaalsContact CB-N 3.27Å; K2017-D2026 WeakPolarHBondContact CE-OD1 3.23Å; K2017-D2026 HydrophobicContact CG-CB 4.1Å; K2017-D2026 WeakPolarHBondContact CG-OD1 3.41Å; K2017-D2026 IonicContact NZ-OD1 2.63Å; K2017-N2027 VanDerWaalsContact CG-N 3.31Å | ||
| 2018 | V | 86.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | 172.5 | 123.2 | 151.4 | -156.8 | 0 | 0 | 0 | 0 | 115.1 | L421 L428 A430 F431 P432 V433 L437 L1931 M1933 I1966 Y1968 I2025 | L421-V2018 WeakPolarHBondContact CD2-O 3.5Å; L428-V2018 VanDerWaalsContact CA-N 3.29Å; L428-V2018 VanDerWaalsContact CB-C 3.5Å; L428-V2018 VanDerWaalsContact CB-N 3.26Å; L428-V2018 VanDerWaalsContact CD2-O 3.26Å; L428-V2018 WeakPolarHBondContact CD2-O 3.17Å; L428-V2018 VanDerWaalsContact O-CA 3.28Å; L428-V2018 WeakPolarHBondContact O-CA 3.45Å; A430-V2018 HydrophobicContact CB-CB 3.56Å; A430-V2018 HydrophobicContact CB-CG1 3.86Å; A430-V2018 HydrophobicContact CB-CG2 3.47Å; A430-V2018 VanDerWaalsContact CB-CG2 3.47Å; A430-V2018 VanDerWaalsContact CB-N 3.28Å; F431-V2018 HydrophobicContact CB-CG2 3.95Å; F431-V2018 WeakPolarHBondContact O-CG2 3.44Å; P432-V2018 WeakPolarHBondContact O-CG2 3.49Å; V433-V2018 HydrophobicContact CG2-CG1 4.3Å; L437-V2018 HydrophobicContact CD1-CG2 4.13Å; L1931-V2018 HydrophobicContact CD2-CB 4.1Å; L1931-V2018 HydrophobicContact CD2-CG1 3.95Å; L1931-V2018 HydrophobicContact CG-CG1 4.46Å; M1933-V2018 HydrophobicContact CG-CG2 4.26Å; I1966-V2018 HydrophobicContact CG2-CG1 3.79Å; Y1968-V2018 HydrophobicContact CD1-CG1 4.45Å; Y1968-V2018 HydrophobicContact CE1-CG1 3.8Å; V2018-I2025 HydrophobicContact CB-CD1 3.47Å; V2018-I2025 VanDerWaalsContact CB-CD1 3.47Å; V2018-I2025 HydrophobicContact CB-CG1 3.48Å; V2018-I2025 VanDerWaalsContact CB-CG1 3.48Å; V2018-I2025 HydrophobicContact CG1-CD1 4.5Å; V2018-I2025 HydrophobicContact CG2-CD1 3.04Å; V2018-I2025 HydrophobicContact CG2-CG1 3.5Å; V2018-I2025 VanDerWaalsContact CG2-CG1 3.5Å | ||
| 2019 | F | 85.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 139.4 | -171.5 | 138.2 | -167.4 | 0 | 0 | 0 | 117.6 | L421 L422 K425 L428 I1966 I1967 Y1968 | L421-F2019 VanDerWaalsContact C-CG 3.47Å; L421-F2019 HydrophobicContact CB-CB 3.59Å; L421-F2019 HydrophobicContact CB-CD2 3.4Å; L421-F2019 VanDerWaalsContact CB-CD2 3.4Å; L421-F2019 HydrophobicContact CB-CE2 4.18Å; L421-F2019 HydrophobicContact CB-CG 3.7Å; L421-F2019 HydrophobicContact CD2-CB 4.05Å; L421-F2019 HydrophobicContact CG-CB 4.31Å; L421-F2019 VanDerWaalsContact O-CB 3.31Å; L421-F2019 WeakPolarHBondContact O-CB 3.21Å; L421-F2019 WeakPolarHBondContact O-CD1 3.4Å; L421-F2019 WeakPolarHBondContact O-CG 3.39Å; L422-F2019 HydrophobicContact CB-CE1 3.92Å; L422-F2019 HydrophobicContact CB-CE2 3.93Å; L422-F2019 HydrophobicContact CB-CZ 3.45Å; L422-F2019 VanDerWaalsContact CB-CZ 3.45Å; L422-F2019 HydrophobicContact CD1-CE1 4.5Å; L422-F2019 HydrophobicContact CD1-CE2 4.3Å; L422-F2019 HydrophobicContact CD1-CZ 3.61Å; L422-F2019 HydrophobicContact CG-CE1 3.81Å; L422-F2019 HydrophobicContact CG-CE2 4.23Å; L422-F2019 HydrophobicContact CG-CZ 3.34Å; K425-F2019 HydrophobicContact CB-CD1 3.69Å; K425-F2019 HydrophobicContact CB-CE1 3.53Å; K425-F2019 HydrophobicContact CD-CD1 4.25Å; K425-F2019 HydrophobicContact CD-CE1 3.49Å; K425-F2019 VanDerWaalsContact CD-CE1 3.49Å; K425-F2019 HydrophobicContact CD-CZ 4.34Å; K425-F2019 HydrophobicContact CG-CD1 3.46Å; K425-F2019 VanDerWaalsContact CG-CD1 3.46Å; K425-F2019 HydrophobicContact CG-CE1 3.18Å; K425-F2019 HydrophobicContact CG-CZ 4.39Å; L428-F2019 HydrophobicContact CB-CB 3.6Å; L428-F2019 HydrophobicContact CD1-CB 3.21Å; L428-F2019 HydrophobicContact CD1-CD1 4.47Å; L428-F2019 HydrophobicContact CD1-CG 4.29Å; L428-F2019 HydrophobicContact CG-CB 4.06Å; L428-F2019 PolarHBondContact O-N 2.65Å; I1966-F2019 CarbonylContact C-O 3.56Å; I1966-F2019 WeakPolarHBondContact CA-O 3.48Å; I1966-F2019 VanDerWaalsContact CB-O 3.31Å; I1966-F2019 WeakPolarHBondContact CB-O 3.48Å; I1966-F2019 WeakPolarHBondContact CG2-O 3.06Å; I1967-F2019 VanDerWaalsContact C-CB 3.4Å; I1967-F2019 HydrophobicContact CB-CD1 4.09Å; I1967-F2019 HydrophobicContact CB-CD2 3.38Å; I1967-F2019 HydrophobicContact CB-CE1 3.91Å; I1967-F2019 HydrophobicContact CB-CE2 3.28Å; I1967-F2019 HydrophobicContact CB-CG 3.82Å; I1967-F2019 HydrophobicContact CB-CZ 3.48Å; I1967-F2019 VanDerWaalsContact CB-CZ 3.48Å; I1967-F2019 HydrophobicContact CD1-CE2 3.86Å; I1967-F2019 HydrophobicContact CD1-CZ 4.24Å; I1967-F2019 HydrophobicContact CG1-CD2 4.48Å; I1967-F2019 HydrophobicContact CG1-CE2 4.17Å; I1967-F2019 HydrophobicContact CG1-CZ 4.49Å; I1967-F2019 HydrophobicContact CG2-CD1 3.92Å; I1967-F2019 HydrophobicContact CG2-CD2 3.99Å; I1967-F2019 HydrophobicContact CG2-CE1 3.37Å; I1967-F2019 HydrophobicContact CG2-CE2 3.58Å; I1967-F2019 HydrophobicContact CG2-CG 4.19Å; I1967-F2019 HydrophobicContact CG2-CZ 3.15Å; I1967-F2019 PolarHBondContact N-O 2.79Å; I1967-F2019 CarbonylContact O-C 3.58Å; I1967-F2019 VanDerWaalsContact O-C 3.24Å; I1967-F2019 WeakPolarHBondContact O-CA 3.49Å; I1967-F2019 WeakPolarHBondContact O-CB 3.42Å; I1967-F2019 WeakPolarHBondContact O-CG 3.28Å; I1967-F2019 PolarHBondContact O-N 2.74Å; Y1968-F2019 VanDerWaalsContact N-CD1 3.28Å |
| 2020 | N | 82.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -125.4 | -132.4 | 158.5 | 106.6 | -6.9 | 0 | 0 | 0 | 117 | L421 L471 L1931 S1959 Q1965 I1966 F2022 | L421-N2020 VanDerWaalsContact CB-C 3.49Å; L421-N2020 WeakPolarHBondContact CB-O 3.43Å; L421-N2020 VanDerWaalsContact CD1-C 3.46Å; L421-N2020 HydrophobicContact CD1-CB 3.6Å; L421-N2020 WeakPolarHBondContact CD1-OD1 3.39Å; L471-N2020 WeakPolarHBondContact CD2-OD1 3.09Å; L1931-N2020 HydrophobicContact CD1-CB 3.84Å; L1931-N2020 HydrophobicContact CD2-CB 4.49Å; S1959-N2020 PolarHBondContact OG-ND2 2.9Å; S1959-N2020 VanDerWaalsContact OG-ND2 3.07Å; Q1965-N2020 HydrophobicContact CB-CB 4.24Å; Q1965-N2020 CarbonylContact O-C 3.48Å; Q1965-N2020 WeakPolarHBondContact O-CA 3.5Å; I1966-N2020 HydrophobicContact CB-CB 4.17Å; I1966-N2020 HydrophobicContact CG1-CB 3.79Å; N2020-F2022 PolarHBondContact OD1-N 3.4Å |
| 2021 | Q | 73.8 | Confident | 81.3 | Confident | 91 Ų | 91 | 8 Ų | 8 | 43% | 0.425 | 4% | 0.037 | S | C | . | . | S | Bend | trans | -89.1 | -23.9 | 166.9 | -90.5 | -168.8 | -40.8 | 0 | 0 | 115.3 | D420 H473 Q1965 | D420-Q2021 WeakPolarHBondContact CB-O 3.37Å; H473-Q2021 PolarHBondContact CE1-O 3.04Å; Q1965-Q2021 HydrophobicContact CG-CG 4.3Å |
| 2022 | F | 71.4 | Confident | 81.2 | Confident | 10 Ų | 10 | 5.4 Ų | 5.4 | 4% | 0.044 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -114.3 | -53.8 | -164.8 | -72.1 | -126.3 | 0 | 0 | 0 | 117.5 | D420 L421 L470 L471 H473 Q1832 L1929 N2020 | D420-F2022 VanDerWaalsContact CA-O 3.29Å; D420-F2022 WeakPolarHBondContact CA-O 3.2Å; L421-F2022 VanDerWaalsContact CD1-N 3.35Å; L470-F2022 VanDerWaalsContact C-C 3.46Å; L470-F2022 CarbonylContact C-O 3.55Å; L470-F2022 CarbonylContact O-C 3.52Å; L470-F2022 WeakPolarHBondContact O-CB 3.47Å; L471-F2022 VanDerWaalsContact CA-CB 3.43Å; L471-F2022 HydrophobicContact CB-CB 4.35Å; L471-F2022 HydrophobicContact CD2-CB 3.84Å; L471-F2022 HydrophobicContact CG-CB 3.89Å; L471-F2022 WeakPolarHBondContact O-CB 3.12Å; L471-F2022 VanDerWaalsContact O-CD1 3.23Å; L471-F2022 WeakPolarHBondContact O-CD1 3.37Å; L471-F2022 WeakPolarHBondContact O-CG 3.37Å; H473-F2022 HydrophobicContact CB-CB 4.46Å; H473-F2022 HydrophobicContact CB-CD1 3.28Å; H473-F2022 HydrophobicContact CB-CE1 3.74Å; H473-F2022 HydrophobicContact CB-CG 4.2Å; H473-F2022 AromaticContact CD2-CD1 3.22Å; H473-F2022 WeakPolarHBondContact CD2-CD1 3.28Å; H473-F2022 AromaticContact CD2-CE1 3.18Å; H473-F2022 WeakPolarHBondContact CD2-CE1 3.3Å; H473-F2022 AromaticContact CD2-CG 3.75Å; H473-F2022 AromaticContact CD2-CZ 3.79Å; H473-F2022 AromaticContact CE1-CG 3.96Å; H473-F2022 AromaticContact CG-CD1 3.1Å; H473-F2022 AromaticContact CG-CE1 3.55Å; H473-F2022 AromaticContact CG-CG 3.65Å; H473-F2022 WeakPolarHBondContact ND1-CA 3.23Å; H473-F2022 AromaticContact ND1-CD1 3.74Å; H473-F2022 AromaticContact ND1-CG 3.8Å; H473-F2022 PolarHBondContact ND1-O 3.34Å; H473-F2022 AromaticContact NE2-CD1 3.9Å; H473-F2022 AromaticContact NE2-CE1 3.97Å; H473-F2022 AromaticContact NE2-CG 3.95Å; Q1832-F2022 HydrophobicContact CB-CE1 4.34Å; Q1832-F2022 HydrophobicContact CG-CD1 4.15Å; Q1832-F2022 HydrophobicContact CG-CE1 3.55Å; Q1832-F2022 HydrophobicContact CG-CZ 4.34Å; L1929-F2022 HydrophobicContact CD2-CB 4.43Å; L1929-F2022 HydrophobicContact CD2-CD2 3.29Å; L1929-F2022 HydrophobicContact CD2-CE2 3.72Å; L1929-F2022 HydrophobicContact CD2-CG 3.92Å; N2020-F2022 PolarHBondContact OD1-N 3.4Å |
| 2023 | K | 73.6 | Confident | 81 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -75.2 | -138.6 | -176.8 | -143.5 | 152.6 | 175.7 | 175.2 | 0 | 124.4 | D420 L421 T466 T467 K468 D469 L470 L471 | D420-K2023 CarbonylContact C-O 3.57Å; L421-K2023 WeakPolarHBondContact CA-O 3.43Å; L421-K2023 VanDerWaalsContact CD1-CA 3.48Å; L421-K2023 HydrophobicContact CD1-CB 3.72Å; L421-K2023 HydrophobicContact CD2-CB 3.68Å; L421-K2023 HydrophobicContact CG-CB 3.9Å; L421-K2023 WeakPolarHBondContact CG-O 3.49Å; L421-K2023 PolarHBondContact N-O 2.89Å; T466-K2023 WeakPolarHBondContact O-CE 3.43Å; T466-K2023 PolarHBondContact O-NZ 3Å; T466-K2023 PolarHBondContact OG1-NZ 2.96Å; T467-K2023 VanDerWaalsContact CA-CE 3.42Å; T467-K2023 HydrophobicContact CG2-CD 3.87Å; T467-K2023 HydrophobicContact CG2-CG 4.38Å; T467-K2023 VanDerWaalsContact N-NZ 3.1Å; T467-K2023 WeakPolarHBondContact O-CD 3.48Å; K468-K2023 VanDerWaalsContact C-CD 3.49Å; K468-K2023 VanDerWaalsContact C-NZ 3.35Å; K468-K2023 WeakPolarHBondContact O-CD 3.33Å; D469-K2023 VanDerWaalsContact CA-NZ 3.3Å; D469-K2023 IonicContact OD2-NZ 2.68Å; L470-K2023 VanDerWaalsContact C-CB 3.45Å; L470-K2023 VanDerWaalsContact C-CG 3.44Å; L470-K2023 VanDerWaalsContact C-N 3.3Å; L470-K2023 HydrophobicContact CB-CB 4.24Å; L470-K2023 HydrophobicContact CB-CG 3.75Å; L470-K2023 HydrophobicContact CD1-CB 4.15Å; L470-K2023 HydrophobicContact CD1-CD 3.98Å; L470-K2023 HydrophobicContact CD1-CG 3.13Å; L470-K2023 WeakPolarHBondContact CD2-O 3.24Å; L470-K2023 HydrophobicContact CG-CG 3.86Å; L470-K2023 VanDerWaalsContact N-CD 3.35Å; L470-K2023 WeakPolarHBondContact O-CA 3.36Å; L470-K2023 PolarHBondContact O-N 2.75Å; L470-K2023 VanDerWaalsContact O-N 3.12Å; L471-K2023 VanDerWaalsContact CA-CB 3.44Å; L471-K2023 HydrophobicContact CB-CB 3.38Å; L471-K2023 HydrophobicContact CB-CD 3.92Å; L471-K2023 HydrophobicContact CB-CG 4.04Å; L471-K2023 HydrophobicContact CD1-CB 3.6Å; L471-K2023 HydrophobicContact CG-CB 3.58Å; L471-K2023 VanDerWaalsContact N-CA 3.34Å; L471-K2023 VanDerWaalsContact N-CD 3.26Å | ||
| 2024 | T | 80 | Confident | 80.9 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | 160.2 | 133.5 | -176.9 | -83.6 | 0 | 0 | 0 | 0 | 108.9 | L421 F424 L428 C439 F465 L470 D2026 | L421-T2024 VanDerWaalsContact CD2-CA 3.48Å; F424-T2024 HydrophobicContact CB-CG2 3.88Å; F424-T2024 WeakPolarHBondContact CB-OG1 3.28Å; F424-T2024 HydrophobicContact CD1-CG2 3.18Å; F424-T2024 HydrophobicContact CD2-CG2 3.84Å; F424-T2024 WeakPolarHBondContact CD2-OG1 3.47Å; F424-T2024 HydrophobicContact CE1-CG2 3.43Å; F424-T2024 VanDerWaalsContact CE1-CG2 3.43Å; F424-T2024 HydrophobicContact CE2-CG2 3.97Å; F424-T2024 WeakPolarHBondContact CE2-OG1 3.39Å; F424-T2024 HydrophobicContact CG-CG2 3.41Å; F424-T2024 VanDerWaalsContact CG-CG2 3.41Å; F424-T2024 WeakPolarHBondContact CG-OG1 2.93Å; F424-T2024 HydrophobicContact CZ-CG2 3.8Å; L428-T2024 HydrophobicContact CD2-CG2 4.08Å; C439-T2024 PolarHBondContact SG-O 3.13Å; F465-T2024 HydrophobicContact CE2-CG2 4.02Å; L470-T2024 VanDerWaalsContact CD1-CB 3.48Å; L470-T2024 HydrophobicContact CD1-CG2 4.15Å; L470-T2024 VanDerWaalsContact CD1-O 3.27Å; L470-T2024 WeakPolarHBondContact CD1-O 3.46Å; L470-T2024 HydrophobicContact CD2-CG2 4.4Å; T2024-D2026 HydrophobicContact CG2-CB 3.68Å; T2024-D2026 WeakPolarHBondContact CG2-OD1 3.16Å | ||
| 2025 | I | 79.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -150.1 | 46.9 | 169.6 | 45.4 | 162.7 | 0 | 0 | 0 | 115 | L437 C439 T466 T467 L1931 E1932 K2017 V2018 | L437-I2025 HydrophobicContact CB-CB 3.72Å; L437-I2025 HydrophobicContact CB-CG2 3.63Å; L437-I2025 HydrophobicContact CD1-CB 3.48Å; L437-I2025 VanDerWaalsContact CD1-CB 3.48Å; L437-I2025 HydrophobicContact CD1-CD1 3.44Å; L437-I2025 VanDerWaalsContact CD1-CD1 3.44Å; L437-I2025 HydrophobicContact CD1-CG1 3.77Å; L437-I2025 HydrophobicContact CD1-CG2 4.26Å; L437-I2025 WeakPolarHBondContact CD1-O 3.47Å; L437-I2025 HydrophobicContact CG-CB 3.58Å; L437-I2025 HydrophobicContact CG-CD1 3.58Å; L437-I2025 HydrophobicContact CG-CG1 4.09Å; L437-I2025 HydrophobicContact CG-CG2 3.8Å; L437-I2025 WeakPolarHBondContact O-CG2 3.3Å; C439-I2025 VanDerWaalsContact SG-CA 3.58Å; C439-I2025 VanDerWaalsContact SG-CG2 3.5Å; T466-I2025 VanDerWaalsContact C-CG2 3.43Å; T466-I2025 WeakPolarHBondContact O-CG2 3.45Å; T467-I2025 VanDerWaalsContact CB-CG2 3.47Å; T467-I2025 HydrophobicContact CG2-CB 3.81Å; T467-I2025 HydrophobicContact CG2-CD1 3.11Å; T467-I2025 HydrophobicContact CG2-CG1 3.34Å; T467-I2025 HydrophobicContact CG2-CG2 3.39Å; T467-I2025 WeakPolarHBondContact OG1-CD1 3.11Å; T467-I2025 WeakPolarHBondContact OG1-CG2 3.49Å; L1931-I2025 HydrophobicContact CD2-CD1 4.48Å; E1932-I2025 WeakPolarHBondContact O-CD1 3.27Å; K2017-I2025 CarbonylContact C-O 3.52Å; K2017-I2025 VanDerWaalsContact CA-O 3.29Å; K2017-I2025 WeakPolarHBondContact CA-O 3.46Å; V2018-I2025 HydrophobicContact CB-CD1 3.47Å; V2018-I2025 VanDerWaalsContact CB-CD1 3.47Å; V2018-I2025 HydrophobicContact CB-CG1 3.48Å; V2018-I2025 VanDerWaalsContact CB-CG1 3.48Å; V2018-I2025 HydrophobicContact CG1-CD1 4.5Å; V2018-I2025 HydrophobicContact CG2-CD1 3.04Å; V2018-I2025 HydrophobicContact CG2-CG1 3.5Å; V2018-I2025 VanDerWaalsContact CG2-CG1 3.5Å | ||
| 2026 | D | 75.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | 64.2 | 119.3 | 104.2 | -108.7 | 36.8 | 0 | 0 | 0 | 115.8 | F424 F431 C439 F491 I493 V509 K2017 T2024 Q2028 | F424-D2026 WeakPolarHBondContact CD1-OD1 3.26Å; F431-D2026 WeakPolarHBondContact CD2-O 3.17Å; F431-D2026 WeakPolarHBondContact CE2-O 3.27Å; C439-D2026 HydrophobicContact CB-CB 3.66Å; C439-D2026 WeakPolarHBondContact CB-OD2 3.29Å; C439-D2026 WeakPolarHBondContact SG-CB 3.46Å; F491-D2026 WeakPolarHBondContact CB-OD2 3.34Å; I493-D2026 HydrophobicContact CB-CB 3.95Å; I493-D2026 WeakPolarHBondContact CB-O 3.32Å; I493-D2026 HydrophobicContact CD1-CB 3.52Å; I493-D2026 WeakPolarHBondContact CD1-OD2 3.01Å; I493-D2026 HydrophobicContact CG1-CB 3.33Å; I493-D2026 HydrophobicContact CG2-CB 3.75Å; I493-D2026 WeakPolarHBondContact CG2-O 3.33Å; V509-D2026 VanDerWaalsContact CG2-OD1 3.32Å; V509-D2026 WeakPolarHBondContact CG2-OD1 3.44Å; K2017-D2026 VanDerWaalsContact CA-N 3.32Å; K2017-D2026 VanDerWaalsContact CB-N 3.27Å; K2017-D2026 WeakPolarHBondContact CE-OD1 3.23Å; K2017-D2026 HydrophobicContact CG-CB 4.1Å; K2017-D2026 WeakPolarHBondContact CG-OD1 3.41Å; K2017-D2026 IonicContact NZ-OD1 2.63Å; T2024-D2026 HydrophobicContact CG2-CB 3.68Å; T2024-D2026 WeakPolarHBondContact CG2-OD1 3.16Å; D2026-Q2028 PolarHBondContact O-N 3.16Å; D2026-Q2028 VanDerWaalsContact O-N 3.13Å | |||
| 2027 | N | 70.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | 2.1 | 82.7 | 177 | -60.4 | -14.4 | 0 | 0 | 0 | 119.4 | F491 I493 P507 H508 V509 L2016 K2017 | F491-N2027 PolarHBondContact O-ND2 2.87Å; I493-N2027 CarbonylContact C-O 3.53Å; I493-N2027 HydrophobicContact CB-CB 3.69Å; I493-N2027 HydrophobicContact CD1-CB 3.31Å; I493-N2027 WeakPolarHBondContact CD1-ND2 3.47Å; I493-N2027 HydrophobicContact CG1-CB 4.02Å; P507-N2027 HydrophobicContact CB-CB 3.36Å; P507-N2027 VanDerWaalsContact CB-CG 3.5Å; P507-N2027 VanDerWaalsContact CD-O 3.3Å; P507-N2027 WeakPolarHBondContact CD-O 3.47Å; P507-N2027 HydrophobicContact CG-CB 3.5Å; P507-N2027 VanDerWaalsContact CG-CB 3.5Å; P507-N2027 WeakPolarHBondContact O-CB 3.47Å; P507-N2027 PolarHBondContact O-ND2 2.77Å; H508-N2027 WeakPolarHBondContact CA-ND2 3.41Å; H508-N2027 PolarHBondContact N-ND2 2.7Å; V509-N2027 WeakPolarHBondContact CG2-ND2 3.37Å; V509-N2027 WeakPolarHBondContact CG2-OD1 3.25Å; V509-N2027 PolarHBondContact N-ND2 3.08Å; L2016-N2027 CarbonylContact O-C 2.78Å; L2016-N2027 VanDerWaalsContact O-C 3.3Å; L2016-N2027 WeakPolarHBondContact O-CA 3.19Å; L2016-N2027 PolarHBondContact O-N 3.11Å; K2017-N2027 VanDerWaalsContact CG-N 3.31Å | ||
| 2028 | Q | 76.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 153.1 | 167.6 | -102.6 | -54.2 | -60.1 | 0 | 0 | 115.4 | T394 F431 E435 L437 S495 S498 F502 P507 M1933 L2016 D2026 | T394-Q2028 HydrophobicContact CG2-CB 3.96Å; F431-Q2028 HydrophobicContact CB-CB 3.79Å; F431-Q2028 HydrophobicContact CB-CG 3.44Å; F431-Q2028 VanDerWaalsContact CB-CG 3.44Å; F431-Q2028 HydrophobicContact CD1-CB 2.32Å; F431-Q2028 HydrophobicContact CD1-CG 2.31Å; F431-Q2028 HydrophobicContact CD2-CB 2.29Å; F431-Q2028 HydrophobicContact CD2-CG 2.32Å; F431-Q2028 HydrophobicContact CE1-CB 2.3Å; F431-Q2028 HydrophobicContact CE1-CG 2.3Å; F431-Q2028 HydrophobicContact CE2-CB 2.31Å; F431-Q2028 HydrophobicContact CE2-CG 2.29Å; F431-Q2028 HydrophobicContact CG-CB 2.34Å; F431-Q2028 HydrophobicContact CG-CG 2.31Å; F431-Q2028 HydrophobicContact CZ-CB 2.29Å; F431-Q2028 HydrophobicContact CZ-CG 2.29Å; E435-Q2028 PolarHBondContact OE1-NE2 3.42Å; E435-Q2028 PolarHBondContact OE1-OE1 2.83Å; E435-Q2028 PolarHBondContact OE2-NE2 3Å; L437-Q2028 HydrophobicContact CD1-CG 3.53Å; L437-Q2028 HydrophobicContact CD2-CG 3.93Å; L437-Q2028 HydrophobicContact CG-CG 4.27Å; S495-Q2028 VanDerWaalsContact OG-CD 3.29Å; S495-Q2028 PolarHBondContact OG-NE2 3.19Å; S495-Q2028 PolarHBondContact OG-OE1 3.49Å; S498-Q2028 PolarHBondContact OG-OE1 3.01Å; F502-Q2028 HydrophobicContact CD2-CB 4.23Å; F502-Q2028 WeakPolarHBondContact CE1-O 3.41Å; F502-Q2028 HydrophobicContact CE2-CB 3.63Å; F502-Q2028 HydrophobicContact CZ-CB 4.14Å; F502-Q2028 WeakPolarHBondContact CZ-O 3.49Å; P507-Q2028 WeakPolarHBondContact CG-O 3.42Å; M1933-Q2028 HydrophobicContact CE-CG 3.4Å; M1933-Q2028 VanDerWaalsContact CE-CG 3.4Å; M1933-Q2028 HydrophobicContact CG-CG 3.67Å; M1933-Q2028 HydrophobicContact SD-CG 3.66Å; L2016-Q2028 PolarHBondContact O-N 3Å; D2026-Q2028 PolarHBondContact O-N 3.16Å; D2026-Q2028 VanDerWaalsContact O-N 3.13Å |
| 2029 | T | 80.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -108.2 | 147 | 145.7 | 43.3 | 0 | 0 | 0 | 0 | 127 | T395 A396 T397 A501 F502 V503 R504 | T395-T2029 CarbonylContact O-C 3.48Å; T395-T2029 WeakPolarHBondContact O-CA 3.49Å; A396-T2029 HydrophobicContact CB-CG2 3.22Å; T397-T2029 HydrophobicContact CG2-CG2 3.49Å; T397-T2029 VanDerWaalsContact CG2-CG2 3.49Å; T397-T2029 WeakPolarHBondContact CG2-OG1 3.43Å; A501-T2029 CarbonylContact C-O 3.51Å; A501-T2029 WeakPolarHBondContact CA-O 3.43Å; A501-T2029 WeakPolarHBondContact CB-O 3.48Å; A501-T2029 CarbonylContact O-C 3.59Å; A501-T2029 WeakPolarHBondContact O-CB 3.35Å; A501-T2029 WeakPolarHBondContact O-CG2 3.3Å; F502-T2029 VanDerWaalsContact CA-C 3.47Å; F502-T2029 VanDerWaalsContact CA-OG1 3.24Å; F502-T2029 WeakPolarHBondContact CA-OG1 3.36Å; F502-T2029 HydrophobicContact CD1-CG2 4.14Å; F502-T2029 WeakPolarHBondContact CD1-OG1 3.34Å; F502-T2029 WeakPolarHBondContact CD2-O 3.38Å; F502-T2029 HydrophobicContact CE1-CG2 4.2Å; F502-T2029 WeakPolarHBondContact CE1-OG1 3.34Å; F502-T2029 WeakPolarHBondContact CE2-O 3.09Å; F502-T2029 WeakPolarHBondContact CG-O 3.41Å; F502-T2029 WeakPolarHBondContact CG-OG1 3.28Å; F502-T2029 VanDerWaalsContact CZ-C 3.4Å; F502-T2029 VanDerWaalsContact CZ-CB 3.44Å; F502-T2029 PolarHBondContact N-O 3.18Å; V503-T2029 PolarHBondContact N-OG1 3.42Å; V503-T2029 VanDerWaalsContact N-OG1 3.11Å; R504-T2029 PolarHBondContact N-OG1 3.01Å | ||
| 2030 | V | 81.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 168.3 | 79 | -163 | 138.5 | 0 | 0 | 0 | 0 | 101.6 | T395 A396 A501 S1937 I1938 I1939 I2032 | T395-V2030 CarbonylContact C-O 3.56Å; T395-V2030 VanDerWaalsContact CB-CG2 3.48Å; T395-V2030 HydrophobicContact CG2-CG2 4.39Å; T395-V2030 VanDerWaalsContact O-CA 3.28Å; T395-V2030 WeakPolarHBondContact O-CA 3.33Å; T395-V2030 WeakPolarHBondContact O-CB 3.3Å; T395-V2030 PolarHBondContact O-N 2.9Å; T395-V2030 VanDerWaalsContact OG1-CB 3.31Å; T395-V2030 WeakPolarHBondContact OG1-CB 3.25Å; T395-V2030 WeakPolarHBondContact OG1-CG1 3.46Å; T395-V2030 WeakPolarHBondContact OG1-CG2 3.35Å; A396-V2030 VanDerWaalsContact CB-N 3.32Å; A396-V2030 WeakPolarHBondContact CB-O 3.01Å; A501-V2030 VanDerWaalsContact CA-CA 3.43Å; A501-V2030 HydrophobicContact CB-CB 3.65Å; A501-V2030 HydrophobicContact CB-CG2 3.15Å; A501-V2030 PolarHBondContact O-N 2.83Å; S1937-V2030 VanDerWaalsContact C-CG2 3.44Å; S1937-V2030 WeakPolarHBondContact O-CG1 3.31Å; I1938-V2030 HydrophobicContact CG1-CG2 4.48Å; I1939-V2030 HydrophobicContact CB-CG1 4.3Å; I1939-V2030 HydrophobicContact CD1-CG1 3.78Å; I1939-V2030 HydrophobicContact CG1-CG1 3.71Å; I1939-V2030 VanDerWaalsContact N-CG1 3.28Å; V2030-I2032 PolarHBondContact O-N 2.79Å | ||
| 2031 | S | 82.1 | Confident | 78.4 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | trans | -49.6 | 137.7 | 176.6 | -105.2 | 0 | 0 | 0 | 0 | 107.6 | R504 I1938 Q2013 W2033 | R504-S2031 PolarHBondContact NH1-OG 3.19Å; I1938-S2031 WeakPolarHBondContact CG2-O 3.5Å; Q2013-S2031 PolarHBondContact OE1-OG 3.27Å; S2031-W2033 VanDerWaalsContact CB-CD1 3.44Å; S2031-W2033 PolarHBondContact O-N 2.58Å | ||
| 2032 | I | 85.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 118.5 | 163.1 | -49.2 | 179.6 | 0 | 0 | 0 | 105.3 | I1939 Y1941 Y2002 K2011 D2012 F2014 V2030 | I1939-I2032 HydrophobicContact CB-CB 4.34Å; I1939-I2032 HydrophobicContact CB-CG1 4.17Å; I1939-I2032 HydrophobicContact CB-CG2 4.07Å; I1939-I2032 HydrophobicContact CD1-CG1 3.87Å; I1939-I2032 HydrophobicContact CG2-CG1 4.39Å; I1939-I2032 HydrophobicContact CG2-CG2 3.77Å; I1939-I2032 CarbonylContact O-C 3.57Å; I1939-I2032 WeakPolarHBondContact O-CA 3.48Å; I1939-I2032 WeakPolarHBondContact O-CG2 3.44Å; Y1941-I2032 HydrophobicContact CD1-CG2 3.57Å; Y1941-I2032 HydrophobicContact CE1-CG2 3.38Å; Y2002-I2032 HydrophobicContact CD1-CD1 3.67Å; Y2002-I2032 HydrophobicContact CD1-CG2 4.49Å; Y2002-I2032 HydrophobicContact CD2-CD1 3.4Å; Y2002-I2032 HydrophobicContact CE1-CD1 3.58Å; Y2002-I2032 HydrophobicContact CE1-CG2 4.05Å; Y2002-I2032 HydrophobicContact CE2-CD1 3.33Å; Y2002-I2032 HydrophobicContact CG-CD1 3.58Å; Y2002-I2032 VanDerWaalsContact CZ-CD1 3.44Å; K2011-I2032 CarbonylContact C-O 3.48Å; K2011-I2032 VanDerWaalsContact CA-O 3.28Å; K2011-I2032 WeakPolarHBondContact CA-O 3.29Å; D2012-I2032 PolarHBondContact N-O 3.18Å; D2012-I2032 WeakPolarHBondContact O-CA 3.5Å; D2012-I2032 WeakPolarHBondContact O-CB 3.39Å; D2012-I2032 VanDerWaalsContact O-CG1 3.29Å; D2012-I2032 WeakPolarHBondContact O-CG1 2.98Å; D2012-I2032 PolarHBondContact O-N 2.94Å; F2014-I2032 HydrophobicContact CD1-CD1 3.8Å; F2014-I2032 HydrophobicContact CD1-CG1 4.11Å; F2014-I2032 HydrophobicContact CE1-CD1 3.41Å; F2014-I2032 VanDerWaalsContact CE1-CD1 3.41Å; F2014-I2032 HydrophobicContact CE1-CG1 3.49Å; F2014-I2032 VanDerWaalsContact CE1-CG1 3.49Å; F2014-I2032 HydrophobicContact CZ-CD1 4.1Å; F2014-I2032 HydrophobicContact CZ-CG1 4.35Å; V2030-I2032 PolarHBondContact O-N 2.79Å |
| 2033 | W | 84 | Confident | 78.6 | Confident | 61 Ų | 61 | 17.9 Ų | 17.9 | 23% | 0.231 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.6 | -179.1 | -69.8 | 78.9 | 0 | 0 | 0 | 111.1 | R504 I1938 I1939 Y1940 Y1941 Y2010 S2031 L2035 I2140 | R504-W2033 VanDerWaalsContact NH1-CZ2 3.34Å; I1938-W2033 HydrophobicContact CG2-CG 4.23Å; I1939-W2033 PolarHBondContact O-N 3.46Å; Y1940-W2033 WeakPolarHBondContact CA-O 3.41Å; Y1940-W2033 HydrophobicContact CD1-CB 3.81Å; Y1940-W2033 HydrophobicContact CE1-CB 3.95Å; Y1940-W2033 HydrophobicContact CE1-CG 4.24Å; Y1941-W2033 WeakPolarHBondContact CD1-O 3.37Å; Y1941-W2033 PolarHBondContact N-O 2.72Å; Y2010-W2033 HydrophobicContact CD2-CE3 4.16Å; Y2010-W2033 HydrophobicContact CD2-CZ3 4.32Å; Y2010-W2033 HydrophobicContact CE2-CE3 4.02Å; Y2010-W2033 AromaticContact CE2-CZ3 3.73Å; Y2010-W2033 HydrophobicContact CE2-CZ3 3.73Å; S2031-W2033 VanDerWaalsContact CB-CD1 3.44Å; S2031-W2033 PolarHBondContact O-N 2.58Å; W2033-L2035 PolarHBondContact O-N 3.36Å; W2033-I2140 HydrophobicContact CE3-CG2 3.53Å; W2033-I2140 HydrophobicContact CZ3-CG2 3.76Å |
| 2034 | V | 85.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107.8 | 171.9 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | Y1941 Q1943 Y2010 Q2137 A2139 I2140 | Y1941-V2034 HydrophobicContact CD1-CG2 4.44Å; Y1941-V2034 HydrophobicContact CE1-CB 4.46Å; Y1941-V2034 HydrophobicContact CE1-CG2 3.62Å; Y1941-V2034 HydrophobicContact CE2-CG2 4.39Å; Y1941-V2034 CarbonylContact O-C 3.48Å; Y1941-V2034 WeakPolarHBondContact O-CA 3.22Å; Q1943-V2034 VanDerWaalsContact CA-CG1 3.41Å; Q1943-V2034 HydrophobicContact CB-CG1 3.5Å; Y2010-V2034 WeakPolarHBondContact O-CG2 3.43Å; Y2010-V2034 PolarHBondContact O-N 2.79Å; V2034-Q2137 HydrophobicContact CG1-CG 4.08Å; V2034-Q2137 HydrophobicContact CG2-CG 4.35Å; V2034-Q2137 VanDerWaalsContact CG2-NE2 3.29Å; V2034-A2139 HydrophobicContact CB-CB 4.11Å; V2034-A2139 HydrophobicContact CG1-CB 3.56Å; V2034-I2140 PolarHBondContact O-N 3.21Å |
| 2035 | L | 82 | Confident | 78.7 | Confident | 72 Ų | 72 | 19.7 Ų | 19.7 | 38% | 0.377 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.2 | 164.8 | -67.1 | -178.5 | 0 | 0 | 0 | 109.1 | Y1940 Y1941 P1942 Q1943 W2033 | Y1940-L2035 HydrophobicContact CD1-CD2 3.7Å; Y1940-L2035 HydrophobicContact CD1-CG 4.08Å; Y1940-L2035 HydrophobicContact CE1-CD2 4.34Å; Y1940-L2035 HydrophobicContact CG-CD2 4.31Å; Y1940-L2035 HydrophobicContact CG-CG 4.37Å; Y1941-L2035 PolarHBondContact O-N 3.46Å; P1942-L2035 CarbonylContact C-O 3.47Å; P1942-L2035 WeakPolarHBondContact CA-O 3.46Å; Q1943-L2035 PolarHBondContact N-O 2.74Å; W2033-L2035 PolarHBondContact O-N 3.36Å |
| 2036 | P | 84.8 | Confident | 78.6 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | trans | -64.8 | 153.8 | 171.4 | 32.2 | -37.7 | 0 | 0 | 0 | 108.8 | V2038 F2129 L2131 A2139 I2140 N2290 | P2036-V2038 HydrophobicContact CB-CB 4.4Å; P2036-V2038 HydrophobicContact CB-CG2 3.43Å; P2036-V2038 VanDerWaalsContact CB-CG2 3.43Å; P2036-V2038 HydrophobicContact CG-CB 4.17Å; P2036-V2038 HydrophobicContact CG-CG1 4.48Å; P2036-V2038 HydrophobicContact CG-CG2 3.54Å; P2036-V2038 WeakPolarHBondContact O-CB 3.3Å; P2036-V2038 WeakPolarHBondContact O-CG2 3.38Å; P2036-V2038 PolarHBondContact O-N 2.82Å; P2036-F2129 HydrophobicContact CB-CE2 4.31Å; P2036-F2129 HydrophobicContact CG-CE2 3.99Å; P2036-F2129 HydrophobicContact CG-CZ 4.4Å; P2036-L2131 HydrophobicContact CB-CB 3.91Å; P2036-L2131 HydrophobicContact CB-CD2 3.71Å; P2036-L2131 HydrophobicContact CB-CG 4.46Å; P2036-A2139 VanDerWaalsContact CA-CB 3.43Å; P2036-A2139 HydrophobicContact CB-CB 3.74Å; P2036-I2140 VanDerWaalsContact CD-O 3.26Å; P2036-I2140 WeakPolarHBondContact CD-O 3.38Å; P2036-N2290 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 2037 | A | 82.2 | Confident | 78.4 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -86.8 | 102.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1943 T1944 H2061 L2064 N2290 | Q1943-A2037 HydrophobicContact CG-CB 3.65Å; T1944-A2037 HydrophobicContact CG2-CB 3.78Å; A2037-H2061 HydrophobicContact CB-CB 4.43Å; A2037-L2064 HydrophobicContact CB-CD1 3.5Å; A2037-L2064 WeakPolarHBondContact O-CD1 3.42Å; A2037-N2290 CarbonylContact O-C 3.47Å; A2037-N2290 WeakPolarHBondContact O-CA 3.34Å; A2037-N2290 PolarHBondContact O-N 3.37Å; A2037-N2290 VanDerWaalsContact O-N 3.09Å |
| 2038 | V | 81.2 | Confident | 78.3 | Confident | 41 Ų | 41 | 22 Ų | 22 | 25% | 0.248 | 12% | 0.116 | C | C | . | . | trans | -164.7 | 148.2 | -138.6 | 158.9 | 0 | 0 | 0 | 0 | 112.4 | P2036 Q2040 V2289 N2290 | P2036-V2038 HydrophobicContact CB-CB 4.4Å; P2036-V2038 HydrophobicContact CB-CG2 3.43Å; P2036-V2038 VanDerWaalsContact CB-CG2 3.43Å; P2036-V2038 HydrophobicContact CG-CB 4.17Å; P2036-V2038 HydrophobicContact CG-CG1 4.48Å; P2036-V2038 HydrophobicContact CG-CG2 3.54Å; P2036-V2038 WeakPolarHBondContact O-CB 3.3Å; P2036-V2038 WeakPolarHBondContact O-CG2 3.38Å; P2036-V2038 PolarHBondContact O-N 2.82Å; V2038-Q2040 HydrophobicContact CG1-CB 4.23Å; V2038-Q2040 HydrophobicContact CG1-CG 3.06Å; V2038-V2289 HydrophobicContact CB-CB 4.15Å; V2038-V2289 HydrophobicContact CB-CG2 4.46Å; V2038-V2289 HydrophobicContact CG1-CB 3.65Å; V2038-V2289 HydrophobicContact CG1-CG2 3.45Å; V2038-V2289 VanDerWaalsContact CG1-CG2 3.45Å; V2038-V2289 HydrophobicContact CG2-CB 3.72Å; V2038-V2289 HydrophobicContact CG2-CG2 4.34Å; V2038-N2290 HydrophobicContact CG2-CB 4.06Å; V2038-N2290 WeakPolarHBondContact CG2-OD1 3.28Å | ||
| 2039 | D | 72.4 | Confident | 78.4 | Confident | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | trans | -126.5 | 86.1 | 165.5 | 167.3 | 32.5 | 0 | 0 | 0 | 109.2 | R2059 R2288 V2289 | D2039-R2059 VanDerWaalsContact CB-NH2 3.32Å; D2039-R2059 IonicContact OD2-CZ 3.05Å; D2039-R2059 IonicContact OD2-NH1 3.44Å; D2039-R2059 PolarHBondContact OD2-NH1 2.87Å; D2039-R2059 IonicContact OD2-NH2 3.9Å; D2039-R2059 PolarHBondContact OD2-NH2 3.48Å; D2039-R2288 WeakPolarHBondContact CB-O 3.35Å; D2039-R2288 PolarHBondContact N-O 3.45Å; D2039-R2288 CarbonylContact O-C 3.57Å; D2039-R2288 WeakPolarHBondContact O-CA 3.28Å; D2039-R2288 PolarHBondContact O-N 3.48Å; D2039-R2288 VanDerWaalsContact O-N 3.12Å; D2039-V2289 PolarHBondContact O-N 3.12Å; D2039-V2289 VanDerWaalsContact O-N 3.13Å | ||
| 2040 | Q | 72.2 | Confident | 78.4 | Confident | 53 Ų | 53 | 29.6 Ų | 29.6 | 25% | 0.248 | 15% | 0.151 | C | C | . | . | trans | -75.7 | 131.4 | -178.3 | -43.5 | -169.1 | 103.3 | 0 | 0 | 109.1 | V2038 F2129 Q2142 V2289 | V2038-Q2040 HydrophobicContact CG1-CB 4.23Å; V2038-Q2040 HydrophobicContact CG1-CG 3.06Å; Q2040-F2129 VanDerWaalsContact OE1-CZ 3.24Å; Q2040-Q2142 PolarHBondContact NE2-O 2.78Å; Q2040-Q2142 VanDerWaalsContact NE2-O 3.13Å; Q2040-Q2142 VanDerWaalsContact OE1-C 3.23Å; Q2040-Q2142 PolarHBondContact OE1-O 3.17Å; Q2040-V2289 HydrophobicContact CB-CG2 4.18Å; Q2040-V2289 HydrophobicContact CG-CG2 3.7Å | ||
| 2041 | K | 70.9 | Confident | 78.5 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | trans | -132.4 | 113.7 | 159.6 | -66.1 | -162.3 | -137.3 | 163.4 | 0 | 110.7 | L2043 A2057 E2177 L2286 A2287 | K2041-L2043 PolarHBondContact O-N 3.1Å; K2041-A2057 PolarHBondContact N-O 3.44Å; K2041-A2057 VanDerWaalsContact N-O 3.13Å; K2041-E2177 HydrophobicContact CD-CG 3.88Å; K2041-E2177 WeakPolarHBondContact CD-OE2 3.31Å; K2041-E2177 WeakPolarHBondContact CE-OE2 3.34Å; K2041-E2177 IonicContact NZ-OE1 3.05Å; K2041-E2177 PolarHBondContact NZ-OE1 2.87Å; K2041-E2177 IonicContact NZ-OE2 3.79Å; K2041-E2177 PolarHBondContact NZ-OE2 3.49Å; K2041-L2286 PolarHBondContact NZ-O 3.33Å; K2041-A2287 HydrophobicContact CB-CB 3.42Å; K2041-A2287 VanDerWaalsContact CB-CB 3.42Å; K2041-A2287 HydrophobicContact CD-CB 3.36Å; K2041-A2287 HydrophobicContact CG-CB 3.39Å | ||
| 2042 | D | 71.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 35 Ų | 35 | 19% | 0.193 | 18% | 0.18 | C | C | . | . | 49.1 | 69.6 | 103.6 | -66.5 | 55 | 0 | 0 | 0 | 115 | E2177 L2178 G2179 S2180 | D2042-E2177 WeakPolarHBondContact O-CA 3.46Å; D2042-L2178 CarbonylContact C-O 3.22Å; D2042-L2178 VanDerWaalsContact C-O 3.23Å; D2042-L2178 VanDerWaalsContact CA-C 3.44Å; D2042-L2178 PolarHBondContact O-N 3.07Å; D2042-G2179 WeakPolarHBondContact CA-O 3.5Å; D2042-G2179 PolarHBondContact N-O 3.37Å; D2042-G2179 WeakPolarHBondContact OD2-CA 3.4Å; D2042-G2179 PolarHBondContact OD2-N 3.08Å; D2042-S2180 VanDerWaalsContact OD1-CB 3.3Å; D2042-S2180 WeakPolarHBondContact OD1-CB 3.49Å; D2042-S2180 PolarHBondContact OD1-N 3.37Å; D2042-S2180 PolarHBondContact OD1-OG 3.05Å; D2042-S2180 PolarHBondContact OD2-N 3.35Å | |||
| 2043 | L | 79 | Confident | 78.6 | Confident | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 110.8 | -173.8 | -163 | 85 | 0 | 0 | 0 | 112.3 | K2041 V2045 V2051 A2057 Y2111 S2144 I2145 L2146 L2178 | K2041-L2043 PolarHBondContact O-N 3.1Å; L2043-V2045 HydrophobicContact CD2-CG2 3.99Å; L2043-V2045 HydrophobicContact CG-CG2 4.28Å; L2043-V2051 HydrophobicContact CD1-CG1 3.96Å; L2043-V2051 HydrophobicContact CD2-CB 4.48Å; L2043-V2051 HydrophobicContact CD2-CG1 4.24Å; L2043-V2051 HydrophobicContact CG-CG1 4.18Å; L2043-A2057 HydrophobicContact CD1-CB 4.18Å; L2043-Y2111 HydrophobicContact CD2-CG 4.3Å; L2043-S2144 PolarHBondContact N-O 2.83Å; L2043-I2145 HydrophobicContact CB-CB 4.47Å; L2043-I2145 HydrophobicContact CB-CG1 4Å; L2043-I2145 HydrophobicContact CB-CG2 4.47Å; L2043-I2145 HydrophobicContact CD2-CG1 4.1Å; L2043-I2145 HydrophobicContact CD2-CG2 4.33Å; L2043-I2145 CarbonylContact O-C 3.32Å; L2043-I2145 VanDerWaalsContact O-CA 3.23Å; L2043-I2145 WeakPolarHBondContact O-CA 3.31Å; L2043-I2145 WeakPolarHBondContact O-CG2 3.35Å; L2043-L2146 PolarHBondContact O-N 3.23Å; L2043-L2178 CarbonylContact C-O 3.52Å; L2043-L2178 PolarHBondContact N-O 2.7Å |
| 2044 | V | 76.8 | Confident | 78.2 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 132.6 | 174.7 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | I2148 F2175 L2178 | V2044-I2148 HydrophobicContact CG1-CD1 3.52Å; V2044-I2148 HydrophobicContact CG1-CG1 4.2Å; V2044-F2175 HydrophobicContact CG1-CD1 4.5Å; V2044-L2178 HydrophobicContact CG2-CB 3.66Å |
| 2045 | V | 79.1 | Confident | 77.7 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.3 | 179.7 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | L2043 D2049 V2051 Y2111 I2145 L2146 I2147 I2148 | L2043-V2045 HydrophobicContact CD2-CG2 3.99Å; L2043-V2045 HydrophobicContact CG-CG2 4.28Å; V2045-D2049 HydrophobicContact CG1-CB 4.24Å; V2045-V2051 HydrophobicContact CB-CG2 4.33Å; V2045-V2051 HydrophobicContact CG1-CG2 4.11Å; V2045-V2051 HydrophobicContact CG2-CB 4.2Å; V2045-V2051 HydrophobicContact CG2-CG2 3.87Å; V2045-Y2111 HydrophobicContact CB-CD1 4.46Å; V2045-Y2111 HydrophobicContact CB-CE1 4.26Å; V2045-Y2111 HydrophobicContact CG1-CD1 4.13Å; V2045-Y2111 HydrophobicContact CG1-CE1 3.99Å; V2045-Y2111 HydrophobicContact CG2-CD1 3.7Å; V2045-Y2111 HydrophobicContact CG2-CE1 3.86Å; V2045-I2145 HydrophobicContact CB-CG2 4.31Å; V2045-I2145 HydrophobicContact CG2-CG2 3.58Å; V2045-L2146 PolarHBondContact N-O 2.94Å; V2045-L2146 VanDerWaalsContact O-O 3.06Å; V2045-I2147 WeakPolarHBondContact O-CA 3.39Å; V2045-I2148 PolarHBondContact O-N 3.31Å |
| 2046 | V | 76.3 | Confident | 77.2 | Confident | 41 Ų | 41 | 33.1 Ų | 33.1 | 25% | 0.248 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 151.9 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 110 | G2048 D2049 I2148 R2150 | V2046-G2048 PolarHBondContact O-N 3.11Å; V2046-G2048 VanDerWaalsContact O-N 3.14Å; V2046-D2049 HydrophobicContact CB-CB 4.44Å; V2046-D2049 WeakPolarHBondContact O-CB 3.49Å; V2046-D2049 PolarHBondContact O-N 2.99Å; V2046-I2148 CarbonylContact C-O 3.58Å; V2046-I2148 WeakPolarHBondContact CA-O 3.37Å; V2046-R2150 HydrophobicContact CG1-CB 4.46Å; V2046-R2150 HydrophobicContact CG1-CG 3.8Å |
| 2047 | C | 71.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 118.4 | -178.6 | -164.4 | 0 | 0 | 0 | 0 | 113 | V2115 N2116 I2148 R2150 | C2047-V2115 VanDerWaalsContact SG-CG1 3.54Å; C2047-N2116 PolarHBondContact SG-O 2.97Å; C2047-I2148 PolarHBondContact N-O 3.45Å; C2047-R2150 PolarHBondContact O-NE 2.75Å |
| 2048 | G | 69.2 | Low | 76.6 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -9.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V2046 | V2046-G2048 PolarHBondContact O-N 3.11Å; V2046-G2048 VanDerWaalsContact O-N 3.14Å |
| 2049 | D | 77.7 | Confident | 76.6 | Confident | 85 Ų | 85 | 34.4 Ų | 34.4 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | trans | -81.5 | 163.6 | -173.4 | -89.4 | -7.6 | 0 | 0 | 0 | 115.1 | V2045 V2046 S2113 | V2045-D2049 HydrophobicContact CG1-CB 4.24Å; V2046-D2049 HydrophobicContact CB-CB 4.44Å; V2046-D2049 WeakPolarHBondContact O-CB 3.49Å; V2046-D2049 PolarHBondContact O-N 2.99Å; D2049-S2113 PolarHBondContact O-N 3.17Å | ||
| 2050 | R | 80.3 | Confident | 77 | Confident | 76 Ų | 76 | 32.8 Ų | 32.8 | 29% | 0.287 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.9 | 170.4 | -47 | -168.8 | -171.6 | 170.7 | 8.3 | 109.8 | I760 P868 Y2111 V2112 | I760-R2050 VanDerWaalsContact CG2-NH2 3.3Å; P868-R2050 PolarHBondContact O-NH2 3Å; R2050-Y2111 CarbonylContact C-O 3.3Å; R2050-Y2111 WeakPolarHBondContact CA-O 3.01Å; R2050-V2112 HydrophobicContact CB-CG2 4.11Å; R2050-V2112 HydrophobicContact CG-CB 4.28Å; R2050-V2112 HydrophobicContact CG-CG1 3.86Å; R2050-V2112 HydrophobicContact CG-CG2 3.76Å |
| 2051 | V | 83.4 | Confident | 77.4 | Confident | 41 Ų | 41 | 32.3 Ų | 32.3 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | L2043 V2045 I2053 Q2110 Y2111 | L2043-V2051 HydrophobicContact CD1-CG1 3.96Å; L2043-V2051 HydrophobicContact CD2-CB 4.48Å; L2043-V2051 HydrophobicContact CD2-CG1 4.24Å; L2043-V2051 HydrophobicContact CG-CG1 4.18Å; V2045-V2051 HydrophobicContact CB-CG2 4.33Å; V2045-V2051 HydrophobicContact CG1-CG2 4.11Å; V2045-V2051 HydrophobicContact CG2-CB 4.2Å; V2045-V2051 HydrophobicContact CG2-CG2 3.87Å; V2051-I2053 PolarHBondContact O-N 2.89Å; V2051-Q2110 WeakPolarHBondContact O-CA 3.34Å; V2051-Y2111 PolarHBondContact N-O 2.87Å; V2051-Y2111 PolarHBondContact O-N 3.16Å |
| 2052 | I | 84.3 | Confident | 77.6 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.7 | 179.8 | -56.7 | -178.6 | 0 | 0 | 0 | 109.5 | T2054 V2085 K2107 I2109 Q2110 | I2052-T2054 HydrophobicContact CB-CG2 3.82Å; I2052-T2054 HydrophobicContact CG2-CG2 3.52Å; I2052-T2054 PolarHBondContact O-N 2.9Å; I2052-V2085 HydrophobicContact CG1-CG2 4.47Å; I2052-V2085 HydrophobicContact CG2-CG2 4.29Å; I2052-K2107 HydrophobicContact CG2-CB 4.29Å; I2052-K2107 WeakPolarHBondContact CG2-O 3.47Å; I2052-I2109 VanDerWaalsContact CG2-O 3.31Å; I2052-I2109 WeakPolarHBondContact CG2-O 3.3Å; I2052-Q2110 HydrophobicContact CG1-CB 4.41Å |
| 2053 | I | 85.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -83.4 | 59.3 | 171.4 | -69.2 | -179.2 | 0 | 0 | 0 | 107.8 | V2051 L2058 L2082 L2104 I2109 F2127 | V2051-I2053 PolarHBondContact O-N 2.89Å; I2053-L2058 HydrophobicContact CD1-CD1 4.37Å; I2053-L2058 HydrophobicContact CG2-CD1 3.78Å; I2053-L2058 HydrophobicContact CG2-CG 4.44Å; I2053-L2082 HydrophobicContact CD1-CD2 3.28Å; I2053-L2104 HydrophobicContact CG2-CD1 3.6Å; I2053-L2104 HydrophobicContact CG2-CG 4.5Å; I2053-I2109 CarbonylContact C-O 3.58Å; I2053-I2109 WeakPolarHBondContact CA-O 3.28Å; I2053-I2109 HydrophobicContact CB-CB 3.94Å; I2053-I2109 HydrophobicContact CB-CG2 3.86Å; I2053-I2109 WeakPolarHBondContact CB-O 3.32Å; I2053-I2109 HydrophobicContact CD1-CG2 4.28Å; I2053-I2109 HydrophobicContact CG2-CB 3.96Å; I2053-I2109 HydrophobicContact CG2-CG2 3.86Å; I2053-I2109 PolarHBondContact N-O 2.96Å; I2053-F2127 HydrophobicContact CD1-CZ 4.42Å | ||
| 2054 | T | 75.5 | Confident | 77.6 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | trans | -58.8 | 169.3 | 173.8 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | I2052 D2056 K2107 R2288 | I2052-T2054 HydrophobicContact CB-CG2 3.82Å; I2052-T2054 HydrophobicContact CG2-CG2 3.52Å; I2052-T2054 PolarHBondContact O-N 2.9Å; T2054-D2056 WeakPolarHBondContact CB-OD2 3.31Å; T2054-D2056 PolarHBondContact O-N 3.05Å; T2054-D2056 VanDerWaalsContact OG1-CB 3.23Å; T2054-D2056 WeakPolarHBondContact OG1-CB 3.41Å; T2054-D2056 PolarHBondContact OG1-N 3.35Å; T2054-D2056 PolarHBondContact OG1-OD2 2.84Å; T2054-K2107 HydrophobicContact CG2-CB 4.44Å; T2054-K2107 HydrophobicContact CG2-CD 3.75Å; T2054-K2107 HydrophobicContact CG2-CG 4.2Å; T2054-R2288 VanDerWaalsContact N-NH1 3.11Å; T2054-R2288 WeakPolarHBondContact O-CD 3.45Å; T2054-R2288 PolarHBondContact O-NE 3.09Å; T2054-R2288 PolarHBondContact O-NH1 3.25Å; T2054-R2288 PolarHBondContact OG1-NH1 2.83Å | ||
| 2055 | S | 74.7 | Confident | 77.2 | Confident | 37 Ų | 37 | 37 Ų | 37 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 11.3 | 165.8 | 51.1 | 0 | 0 | 0 | 0 | 117.7 | L2104 R2288 | S2055-L2104 PolarHBondContact N-O 2.87Å; S2055-R2288 VanDerWaalsContact O-CG 3.26Å; S2055-R2288 WeakPolarHBondContact O-CG 3.43Å |
| 2056 | D | 72 | Confident | 76.8 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 13.2 | -171.4 | -19.1 | -46.6 | 0 | 0 | 0 | 115.7 | T2054 K2107 L2286 A2287 | T2054-D2056 WeakPolarHBondContact CB-OD2 3.31Å; T2054-D2056 PolarHBondContact O-N 3.05Å; T2054-D2056 VanDerWaalsContact OG1-CB 3.23Å; T2054-D2056 WeakPolarHBondContact OG1-CB 3.41Å; T2054-D2056 PolarHBondContact OG1-N 3.35Å; T2054-D2056 PolarHBondContact OG1-OD2 2.84Å; D2056-K2107 IonicContact OD1-NZ 2.83Å; D2056-K2107 IonicContact OD2-NZ 3.57Å; D2056-K2107 PolarHBondContact OD2-NZ 2.91Å; D2056-L2286 HydrophobicContact CB-CB 3.6Å; D2056-L2286 HydrophobicContact CB-CD1 3.59Å; D2056-L2286 HydrophobicContact CB-CG 4.05Å; D2056-L2286 CarbonylContact O-C 3.27Å; D2056-L2286 WeakPolarHBondContact O-CB 3.38Å; D2056-L2286 WeakPolarHBondContact O-CD2 3.03Å; D2056-A2287 PolarHBondContact O-N 2.8Å |
| 2057 | A | 72.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -138.5 | -7.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 131.7 | K2041 L2043 A2287 R2288 | K2041-A2057 PolarHBondContact N-O 3.44Å; K2041-A2057 VanDerWaalsContact N-O 3.13Å; L2043-A2057 HydrophobicContact CD1-CB 4.18Å; A2057-A2287 HydrophobicContact CB-CB 4.35Å; A2057-R2288 VanDerWaalsContact C-CD 3.41Å; A2057-R2288 VanDerWaalsContact CA-CD 3.48Å; A2057-R2288 WeakPolarHBondContact O-CA 3.27Å |
| 2058 | L | 81.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | S | Bend | cis | 77.8 | 20.7 | -18.8 | -11 | 176.8 | 0 | 0 | 0 | 134.2 | I2053 F2099 L2104 F2127 V2143 R2288 V2289 | I2053-L2058 HydrophobicContact CD1-CD1 4.37Å; I2053-L2058 HydrophobicContact CG2-CD1 3.78Å; I2053-L2058 HydrophobicContact CG2-CG 4.44Å; L2058-F2099 HydrophobicContact CD1-CZ 4.4Å; L2058-L2104 HydrophobicContact CB-CD1 3.77Å; L2058-L2104 WeakPolarHBondContact O-CD1 3.37Å; L2058-L2104 WeakPolarHBondContact O-CD2 3.49Å; L2058-F2127 HydrophobicContact CD1-CE1 4.4Å; L2058-F2127 HydrophobicContact CD1-CE2 4.35Å; L2058-F2127 HydrophobicContact CD1-CZ 3.57Å; L2058-V2143 HydrophobicContact CD1-CG2 3.97Å; L2058-V2143 HydrophobicContact CD2-CB 4.14Å; L2058-V2143 HydrophobicContact CD2-CG1 3.77Å; L2058-V2143 HydrophobicContact CD2-CG2 3.25Å; L2058-V2143 HydrophobicContact CG-CG2 4.28Å; L2058-R2288 HydrophobicContact CB-CG 4.11Å; L2058-R2288 VanDerWaalsContact CG-NE 3.28Å; L2058-R2288 WeakPolarHBondContact O-CD 3.24Å; L2058-V2289 VanDerWaalsContact C-CG1 3.43Å; L2058-V2289 CarbonylContact C-O 3.56Å; L2058-V2289 VanDerWaalsContact C-O 3.23Å; L2058-V2289 HydrophobicContact CB-CB 4.23Å; L2058-V2289 HydrophobicContact CB-CG1 3.45Å; L2058-V2289 VanDerWaalsContact CB-CG1 3.45Å; L2058-V2289 HydrophobicContact CB-CG2 4.02Å; L2058-V2289 HydrophobicContact CD2-CG1 4.37Å; L2058-V2289 HydrophobicContact CD2-CG2 3.58Å; L2058-V2289 HydrophobicContact CG-CG1 4.41Å; L2058-V2289 HydrophobicContact CG-CG2 4.36Å; L2058-V2289 WeakPolarHBondContact O-CG1 3.3Å |
| 2059 | R | 81.7 | Confident | 77.8 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | trans | -108.5 | 149.7 | -172.8 | 165.4 | -141.6 | 77.4 | -143.4 | 3.2 | 115.5 | D2039 A2287 R2288 V2289 N2290 | D2039-R2059 VanDerWaalsContact CB-NH2 3.32Å; D2039-R2059 IonicContact OD2-CZ 3.05Å; D2039-R2059 IonicContact OD2-NH1 3.44Å; D2039-R2059 PolarHBondContact OD2-NH1 2.87Å; D2039-R2059 IonicContact OD2-NH2 3.9Å; D2039-R2059 PolarHBondContact OD2-NH2 3.48Å; R2059-A2287 PolarHBondContact NH1-O 2.8Å; R2059-R2288 CarbonylContact C-O 3.6Å; R2059-R2288 VanDerWaalsContact CA-C 3.5Å; R2059-R2288 HydrophobicContact CB-CB 3.2Å; R2059-R2288 HydrophobicContact CB-CG 3.5Å; R2059-R2288 VanDerWaalsContact CB-CG 3.5Å; R2059-R2288 HydrophobicContact CG-CB 4.5Å; R2059-R2288 PolarHBondContact N-O 3Å; R2059-R2288 PolarHBondContact NE-O 2.91Å; R2059-R2288 PolarHBondContact NH2-O 2.91Å; R2059-R2288 VanDerWaalsContact NH2-O 3.14Å; R2059-R2288 CarbonylContact O-C 3.58Å; R2059-V2289 CarbonylContact C-O 3.49Å; R2059-V2289 VanDerWaalsContact CA-O 3.24Å; R2059-V2289 WeakPolarHBondContact CA-O 3.27Å; R2059-V2289 PolarHBondContact N-O 2.87Å; R2059-V2289 VanDerWaalsContact N-O 3.08Å; R2059-V2289 CarbonylContact O-C 3.52Å; R2059-V2289 WeakPolarHBondContact O-CA 3.37Å; R2059-V2289 PolarHBondContact O-N 3.37Å; R2059-V2289 VanDerWaalsContact O-N 3.07Å; R2059-N2290 PolarHBondContact O-N 3.48Å | ||
| 2060 | L | 79.9 | Confident | 78.4 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | trans | -78.9 | 138.7 | -159.3 | -42.3 | 159.9 | 0 | 0 | 0 | 112 | L2064 L2065 F2071 A2101 V2289 N2290 C2291 | L2060-L2064 HydrophobicContact CB-CB 4.38Å; L2060-L2065 HydrophobicContact CB-CD2 3.85Å; L2060-L2065 HydrophobicContact CB-CG 4.38Å; L2060-L2065 HydrophobicContact CD1-CD2 3.91Å; L2060-L2065 HydrophobicContact CG-CD2 4.46Å; L2060-F2071 HydrophobicContact CD2-CZ 4.02Å; L2060-A2101 HydrophobicContact CD1-CB 3.6Å; L2060-A2101 HydrophobicContact CD2-CB 3.71Å; L2060-A2101 HydrophobicContact CG-CB 4.28Å; L2060-V2289 PolarHBondContact N-O 3.02Å; L2060-N2290 WeakPolarHBondContact CA-O 3.34Å; L2060-N2290 VanDerWaalsContact CB-O 3.26Å; L2060-N2290 WeakPolarHBondContact CB-O 3.26Å; L2060-N2290 WeakPolarHBondContact CD2-O 3.25Å; L2060-C2291 HydrophobicContact CD2-CB 4.06Å | ||
| 2061 | H | 80.6 | Confident | 78.9 | Confident | 43 Ų | 43 | 40 Ų | 40 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | trans | -71.6 | 154.8 | 165.8 | 170.4 | -84 | 0 | 0 | 0 | 109.5 | A2037 D2063 L2064 | A2037-H2061 HydrophobicContact CB-CB 4.43Å; H2061-D2063 VanDerWaalsContact C-N 3.3Å; H2061-D2063 IonicContact CE1-OD2 3.37Å; H2061-D2063 PolarHBondContact CE1-OD2 2.96Å; H2061-D2063 IonicContact ND1-OD2 2.6Å; H2061-D2063 PolarHBondContact O-N 3.41Å; H2061-D2063 VanDerWaalsContact O-N 3.12Å; H2061-L2064 HydrophobicContact CB-CD1 3.65Å; H2061-L2064 HydrophobicContact CB-CG 4.24Å; H2061-L2064 WeakPolarHBondContact O-CA 3.34Å; H2061-L2064 WeakPolarHBondContact O-CB 3.37Å; H2061-L2064 WeakPolarHBondContact O-CG 3.31Å; H2061-L2064 PolarHBondContact O-N 2.91Å | ||
| 2062 | D | 76.1 | Confident | 79.2 | Confident | 84 Ų | 84 | 44.6 Ų | 44.6 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -57.2 | -38.1 | -162.9 | -78.8 | -3.9 | 0 | 0 | 0 | 114.4 | S337 L2064 L2065 | S337-D2062 WeakPolarHBondContact CB-OD2 3.33Å; S337-D2062 PolarHBondContact OG-OD2 2.74Å; D2062-L2064 PolarHBondContact O-N 3.32Å; D2062-L2065 PolarHBondContact O-N 2.91Å |
| 2063 | D | 74.3 | Confident | 79.4 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -54 | -18.3 | 174.1 | -85.7 | -73.4 | 0 | 0 | 0 | 115.7 | N340 H2061 R2067 | N340-D2063 WeakPolarHBondContact CB-OD1 3.28Å; N340-D2063 PolarHBondContact ND2-OD1 3.05Å; N340-D2063 PolarHBondContact ND2-OD2 3.26Å; H2061-D2063 VanDerWaalsContact C-N 3.3Å; H2061-D2063 IonicContact CE1-OD2 3.37Å; H2061-D2063 PolarHBondContact CE1-OD2 2.96Å; H2061-D2063 IonicContact ND1-OD2 2.6Å; H2061-D2063 PolarHBondContact O-N 3.41Å; H2061-D2063 VanDerWaalsContact O-N 3.12Å; D2063-R2067 WeakPolarHBondContact O-CD 3.38Å; D2063-R2067 PolarHBondContact O-NE 2.8Å; D2063-R2067 PolarHBondContact O-NH2 3.1Å |
| 2064 | L | 76 | Confident | 79.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -114.8 | -17.5 | -157.2 | -44 | 179.6 | 0 | 0 | 0 | 110.3 | A2037 L2060 H2061 D2062 G2066 R2067 L2136 N2290 C2291 | A2037-L2064 HydrophobicContact CB-CD1 3.5Å; A2037-L2064 WeakPolarHBondContact O-CD1 3.42Å; L2060-L2064 HydrophobicContact CB-CB 4.38Å; H2061-L2064 HydrophobicContact CB-CD1 3.65Å; H2061-L2064 HydrophobicContact CB-CG 4.24Å; H2061-L2064 WeakPolarHBondContact O-CA 3.34Å; H2061-L2064 WeakPolarHBondContact O-CB 3.37Å; H2061-L2064 WeakPolarHBondContact O-CG 3.31Å; H2061-L2064 PolarHBondContact O-N 2.91Å; D2062-L2064 PolarHBondContact O-N 3.32Å; L2064-G2066 PolarHBondContact O-N 2.88Å; L2064-R2067 PolarHBondContact O-N 3.12Å; L2064-L2136 HydrophobicContact CD2-CD1 3.42Å; L2064-L2136 VanDerWaalsContact CD2-CD1 3.42Å; L2064-N2290 WeakPolarHBondContact CB-O 3.31Å; L2064-N2290 WeakPolarHBondContact CD1-O 3.38Å; L2064-C2291 WeakPolarHBondContact CA-O 3.46Å; L2064-C2291 HydrophobicContact CB-CB 3.86Å; L2064-C2291 WeakPolarHBondContact CB-O 3.23Å; L2064-C2291 WeakPolarHBondContact CD2-O 3.36Å; L2064-C2291 WeakPolarHBondContact CG-O 3.29Å |
| 2065 | L | 68.8 | Low | 79.8 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 121.1 | 162.4 | -60.6 | 172.6 | 0 | 0 | 0 | 110 | L2060 D2062 | L2060-L2065 HydrophobicContact CB-CD2 3.85Å; L2060-L2065 HydrophobicContact CB-CG 4.38Å; L2060-L2065 HydrophobicContact CD1-CD2 3.91Å; L2060-L2065 HydrophobicContact CG-CD2 4.46Å; D2062-L2065 PolarHBondContact O-N 2.91Å |
| 2066 | G | 70.9 | Confident | 80.2 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 87% | 0.866 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 2.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L2064 | L2064-G2066 PolarHBondContact O-N 2.88Š|
| 2067 | R | 74.7 | Confident | 80.9 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 25% | 0.253 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -97.8 | 160.9 | 170.8 | -61.2 | 175.1 | -179.3 | -139.7 | 24 | 111.4 | D2063 L2064 A2069 D2134 R2135 H2292 | D2063-R2067 WeakPolarHBondContact O-CD 3.38Å; D2063-R2067 PolarHBondContact O-NE 2.8Å; D2063-R2067 PolarHBondContact O-NH2 3.1Å; L2064-R2067 PolarHBondContact O-N 3.12Å; R2067-A2069 VanDerWaalsContact C-N 3.34Å; R2067-A2069 PolarHBondContact O-N 3.37Å; R2067-D2134 VanDerWaalsContact CD-O 3.23Å; R2067-D2134 WeakPolarHBondContact CD-O 3.26Å; R2067-D2134 PolarHBondContact NH1-O 2.76Å; R2067-R2135 VanDerWaalsContact NH1-C 3.26Å; R2067-R2135 PolarHBondContact NH1-O 2.82Å; R2067-H2292 HydrophobicContact CB-CB 3.49Å; R2067-H2292 VanDerWaalsContact CB-CB 3.49Å; R2067-H2292 HydrophobicContact CG-CB 4.4Å |
| 2068 | S | 79.2 | Confident | 81.4 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 47% | 0.469 | 29% | 0.286 | S | S | . | . | trans | -71.7 | 62 | -158.3 | -41.1 | 0 | 0 | 0 | 0 | 117.5 | V2070 D2134 H2292 | S2068-V2070 PolarHBondContact O-N 3.05Å; S2068-D2134 WeakPolarHBondContact CB-OD2 3.45Å; S2068-D2134 PolarHBondContact OG-OD2 2.85Å; S2068-H2292 PolarHBondContact N-ND1 2.69Å; S2068-H2292 PolarHBondContact O-CE1 2.84Å; S2068-H2292 PolarHBondContact O-ND1 2.89Å | ||
| 2069 | A | 85 | Confident | 81.4 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -19.9 | 109.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | R2067 T2100 A2101 C2291 H2292 | R2067-A2069 VanDerWaalsContact C-N 3.34Å; R2067-A2069 PolarHBondContact O-N 3.37Å; A2069-T2100 WeakPolarHBondContact O-CA 3.48Å; A2069-T2100 WeakPolarHBondContact O-CB 3.49Å; A2069-T2100 WeakPolarHBondContact O-CG2 3.39Å; A2069-A2101 HydrophobicContact CB-CB 3.25Å; A2069-C2291 HydrophobicContact CB-CB 3.84Å; A2069-C2291 WeakPolarHBondContact CB-SG 3.36Å; A2069-H2292 VanDerWaalsContact CB-CE1 3.49Å; A2069-H2292 WeakPolarHBondContact CB-CE1 3.42Å; A2069-H2292 WeakPolarHBondContact CB-NE2 3.46Å; A2069-H2292 PolarHBondContact N-ND1 2.79Å | ||
| 2070 | V | 88.9 | Confident | 81.3 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | trans | -154.7 | 103.7 | 172 | -175.6 | 0 | 0 | 0 | 0 | 112 | S2068 F2099 T2132 H2292 M2293 | S2068-V2070 PolarHBondContact O-N 3.05Å; V2070-F2099 CarbonylContact C-O 3.51Å; V2070-F2099 WeakPolarHBondContact CA-O 3.48Å; V2070-T2132 PolarHBondContact O-OG1 3.1Å; V2070-H2292 PolarHBondContact N-CE1 3.25Å; V2070-H2292 PolarHBondContact N-NE2 2.94Å; V2070-H2292 PolarHBondContact O-NE2 3.38Å; V2070-M2293 HydrophobicContact CB-CE 4.48Å | ||
| 2071 | F | 90.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129 | 161.5 | -51.9 | -55.7 | 0 | 0 | 0 | 110.1 | L2060 S2098 F2099 T2100 L2104 L2131 V2289 N2290 C2291 | L2060-F2071 HydrophobicContact CD2-CZ 4.02Å; F2071-S2098 CarbonylContact O-C 3.47Å; F2071-S2098 WeakPolarHBondContact O-CA 3.35Å; F2071-S2098 WeakPolarHBondContact O-CB 3.22Å; F2071-F2099 HydrophobicContact CB-CD1 3.94Å; F2071-F2099 HydrophobicContact CB-CD2 4.24Å; F2071-F2099 HydrophobicContact CB-CE1 3.81Å; F2071-F2099 HydrophobicContact CB-CE2 4.11Å; F2071-F2099 HydrophobicContact CB-CG 4.11Å; F2071-F2099 HydrophobicContact CB-CZ 3.89Å; F2071-F2099 WeakPolarHBondContact CB-O 3.45Å; F2071-F2099 HydrophobicContact CD2-CB 4.37Å; F2071-F2099 HydrophobicContact CD2-CD1 4.31Å; F2071-F2099 AromaticContact CD2-CD2 3.1Å; F2071-F2099 HydrophobicContact CD2-CD2 3.1Å; F2071-F2099 HydrophobicContact CD2-CE1 4.41Å; F2071-F2099 AromaticContact CD2-CE2 3.22Å; F2071-F2099 HydrophobicContact CD2-CE2 3.22Å; F2071-F2099 AromaticContact CD2-CG 3.67Å; F2071-F2099 HydrophobicContact CD2-CG 3.67Å; F2071-F2099 AromaticContact CD2-CZ 3.9Å; F2071-F2099 HydrophobicContact CD2-CZ 3.9Å; F2071-F2099 WeakPolarHBondContact CD2-O 3.36Å; F2071-F2099 AromaticContact CE2-CD2 3.76Å; F2071-F2099 HydrophobicContact CE2-CD2 3.76Å; F2071-F2099 AromaticContact CE2-CE2 3.8Å; F2071-F2099 HydrophobicContact CE2-CE2 3.8Å; F2071-F2099 AromaticContact CG-CD2 3.96Å; F2071-F2099 HydrophobicContact CG-CD2 3.96Å; F2071-F2099 HydrophobicContact CG-CE1 4.35Å; F2071-F2099 AromaticContact CG-CE2 3.74Å; F2071-F2099 HydrophobicContact CG-CE2 3.74Å; F2071-F2099 HydrophobicContact CG-CG 4.3Å; F2071-F2099 AromaticContact CG-CZ 3.95Å; F2071-F2099 HydrophobicContact CG-CZ 3.95Å; F2071-F2099 PolarHBondContact N-O 3.38Å; F2071-F2099 PolarHBondContact O-N 2.82Å; F2071-T2100 VanDerWaalsContact CE2-C 3.5Å; F2071-T2100 WeakPolarHBondContact CE2-O 3.44Å; F2071-L2104 HydrophobicContact CE2-CB 4.38Å; F2071-L2104 HydrophobicContact CE2-CD1 4.43Å; F2071-L2131 HydrophobicContact CD1-CD1 3.98Å; F2071-L2131 HydrophobicContact CE1-CD1 4.01Å; F2071-V2289 HydrophobicContact CE1-CG1 4.41Å; F2071-N2290 HydrophobicContact CD1-CB 4.16Å; F2071-N2290 WeakPolarHBondContact CD1-ND2 3.34Å; F2071-N2290 HydrophobicContact CE1-CB 3.3Å; F2071-N2290 WeakPolarHBondContact CE1-ND2 3.4Å; F2071-N2290 HydrophobicContact CZ-CB 4.07Å; F2071-C2291 WeakPolarHBondContact CE1-SG 3.4Å; F2071-C2291 VanDerWaalsContact CZ-SG 3.59Å |
| 2072 | R | 89.8 | Confident | 82 | Confident | 138 Ų | 138 | 50.5 Ų | 50.5 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.2 | 178.5 | -168.9 | -165.2 | -171.4 | -165.4 | 3.6 | 110 | T2074 F2129 E2130 | R2072-T2074 PolarHBondContact O-N 3.31Å; R2072-F2129 CarbonylContact O-C 3.53Å; R2072-F2129 WeakPolarHBondContact O-CA 3.36Å; R2072-F2129 WeakPolarHBondContact O-CB 3.19Å; R2072-E2130 HydrophobicContact CB-CB 4.34Å; R2072-E2130 WeakPolarHBondContact CD-OE2 3.32Å; R2072-E2130 IonicContact CZ-OE2 2.65Å; R2072-E2130 PolarHBondContact N-O 2.9Å; R2072-E2130 IonicContact NE-OE2 2.65Å; R2072-E2130 IonicContact NH1-OE2 3.61Å; R2072-E2130 PolarHBondContact NH1-OE2 3.13Å; R2072-E2130 PolarHBondContact O-N 3.46Å |
| 2073 | I | 88.6 | Confident | 82.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 115.9 | -170.4 | -55.9 | -174.3 | 0 | 0 | 0 | 109.8 | K2075 R2076 L2082 L2096 D2097 F2099 | I2073-K2075 WeakPolarHBondContact CG2-O 3.19Å; I2073-R2076 HydrophobicContact CG2-CB 4.44Å; I2073-R2076 HydrophobicContact CG2-CG 3.93Å; I2073-L2082 HydrophobicContact CD1-CB 4.4Å; I2073-L2082 HydrophobicContact CD1-CD1 3.59Å; I2073-L2096 HydrophobicContact CD1-CB 4.4Å; I2073-D2097 PolarHBondContact N-O 2.84Å; I2073-F2099 HydrophobicContact CD1-CD1 4.32Å; I2073-F2099 HydrophobicContact CD1-CE1 3.98Å; I2073-F2099 HydrophobicContact CG1-CE1 4.21Å |
| 2074 | T | 84.2 | Confident | 83.2 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 47% | 0.466 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -24.7 | -179.7 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | R2072 K2128 E2130 | R2072-T2074 PolarHBondContact O-N 3.31Å; T2074-K2128 PolarHBondContact N-O 3.17Å; T2074-K2128 VanDerWaalsContact OG1-C 3.31Å; T2074-K2128 PolarHBondContact OG1-O 2.85Å; T2074-E2130 HydrophobicContact CG2-CB 3.63Å |
| 2075 | K | 84.9 | Confident | 83.1 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 114.9 | 165.8 | 176.1 | 179.3 | 169.2 | -178.5 | 0 | 107.9 | I2073 E2126 F2127 K2128 | I2073-K2075 WeakPolarHBondContact CG2-O 3.19Å; K2075-E2126 WeakPolarHBondContact CD-OE1 3.25Å; K2075-E2126 WeakPolarHBondContact CE-OE1 3.36Å; K2075-E2126 IonicContact NZ-OE1 3.85Å; K2075-E2126 PolarHBondContact NZ-OE1 2.99Å; K2075-F2127 CarbonylContact O-C 3.53Å; K2075-F2127 WeakPolarHBondContact O-CA 3.25Å; K2075-F2127 VanDerWaalsContact O-CB 3.24Å; K2075-F2127 WeakPolarHBondContact O-CB 3.37Å; K2075-K2128 HydrophobicContact CB-CB 3.9Å; K2075-K2128 HydrophobicContact CB-CD 4.46Å; K2075-K2128 HydrophobicContact CB-CG 4.09Å; K2075-K2128 HydrophobicContact CD-CD 4.48Å; K2075-K2128 HydrophobicContact CD-CG 4.38Å; K2075-K2128 PolarHBondContact N-O 2.88Å; K2075-K2128 VanDerWaalsContact N-O 3.1Å; K2075-K2128 PolarHBondContact O-N 3.18Å |
| 2076 | R | 84.5 | Confident | 83 | Confident | 77 Ų | 77 | 50 Ų | 50 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | trans | -70.1 | 157.2 | 170.9 | -60.8 | -169.3 | -169.6 | -172.2 | 8.4 | 110.1 | I2073 N2094 G2095 D2097 | I2073-R2076 HydrophobicContact CG2-CB 4.44Å; I2073-R2076 HydrophobicContact CG2-CG 3.93Å; R2076-N2094 PolarHBondContact NH1-O 2.96Å; R2076-G2095 PolarHBondContact NH1-O 2.67Å; R2076-D2097 IonicContact CZ-OD1 3.67Å; R2076-D2097 IonicContact CZ-OD2 3.69Å; R2076-D2097 IonicContact NE-OD1 3.08Å; R2076-D2097 PolarHBondContact NE-OD1 2.93Å; R2076-D2097 IonicContact NH2-OD1 2.65Å; R2076-D2097 PolarHBondContact NH2-OD1 2.99Å; R2076-D2097 IonicContact NH2-OD2 2.67Å; R2076-D2097 PolarHBondContact NH2-OD2 2.63Å | ||
| 2077 | P | 85.5 | Confident | 82.9 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -60.6 | 152.1 | 176.1 | -6.7 | 17.8 | 0 | 0 | 0 | 112.3 | G2080 L2082 Y2111 D2125 F2127 | P2077-G2080 WeakPolarHBondContact CB-O 2.97Å; P2077-L2082 HydrophobicContact CG-CD1 3.91Å; P2077-L2082 HydrophobicContact CG-CG 3.98Å; P2077-Y2111 HydrophobicContact CB-CE2 3.96Å; P2077-Y2111 HydrophobicContact CG-CD2 4.35Å; P2077-Y2111 HydrophobicContact CG-CE2 3.99Å; P2077-D2125 WeakPolarHBondContact CB-OD2 3.35Å; P2077-F2127 HydrophobicContact CG-CB 4Å; P2077-F2127 HydrophobicContact CG-CD1 4.46Å | ||
| 2078 | K | 82.6 | Confident | 82.3 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84.7 | -31.3 | 177.8 | -177.1 | -165 | 173.6 | -165.2 | 0 | 112 | V755 D2125 | V755-K2078 WeakPolarHBondContact CG1-O 3.27Å; K2078-D2125 VanDerWaalsContact CB-OD1 3.29Å; K2078-D2125 WeakPolarHBondContact CB-OD1 3.07Å; K2078-D2125 VanDerWaalsContact N-CG 3.32Å; K2078-D2125 PolarHBondContact N-OD1 3.21Å; K2078-D2125 PolarHBondContact N-OD2 3.22Å; K2078-D2125 VanDerWaalsContact N-OD2 3.12Å |
| 2079 | Y | 82.5 | Confident | 81.8 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -125.9 | 15.9 | -168.6 | -62.5 | -47.1 | 0 | 0 | 0 | 112.2 | Y2111 T2114 V2115 E2123 D2125 I2147 | Y2079-Y2111 PolarHBondContact O-OH 2.81Å; Y2079-T2114 PolarHBondContact O-N 3.33Å; Y2079-T2114 PolarHBondContact O-OG1 2.92Å; Y2079-T2114 VanDerWaalsContact O-OG1 3.14Å; Y2079-V2115 HydrophobicContact CD1-CG2 4.35Å; Y2079-V2115 HydrophobicContact CG-CG2 4.2Å; Y2079-E2123 HydrophobicContact CD2-CB 4.34Å; Y2079-E2123 HydrophobicContact CE2-CB 3.91Å; Y2079-E2123 HydrophobicContact CE2-CG 4.23Å; Y2079-E2123 WeakPolarHBondContact CE2-OE2 3.46Å; Y2079-E2123 VanDerWaalsContact OH-CD 3.27Å; Y2079-E2123 PolarHBondContact OH-OE2 2.87Å; Y2079-D2125 WeakPolarHBondContact CA-OD2 3.43Å; Y2079-D2125 WeakPolarHBondContact CB-OD2 3.48Å; Y2079-D2125 HydrophobicContact CD2-CB 3.91Å; Y2079-D2125 HydrophobicContact CG-CB 4.46Å; Y2079-D2125 PolarHBondContact N-OD2 3.24Å; Y2079-I2147 HydrophobicContact CD2-CD1 4.17Å; Y2079-I2147 HydrophobicContact CG-CD1 4.15Å |
| 2080 | G | 79.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P2077 Y2111 V2112 T2114 D2125 | P2077-G2080 WeakPolarHBondContact CB-O 2.97Å; G2080-Y2111 WeakPolarHBondContact CA-OH 3.48Å; G2080-Y2111 PolarHBondContact N-OH 2.75Å; G2080-V2112 CarbonylContact C-O 3.4Å; G2080-V2112 WeakPolarHBondContact CA-O 3.46Å; G2080-T2114 PolarHBondContact N-OG1 3.48Å; G2080-D2125 PolarHBondContact N-OD2 2.99Å |
| 2081 | L | 87.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.9 | 178.2 | -58.4 | -179.5 | 0 | 0 | 0 | 111.3 | I760 T2083 Y2111 V2112 T2114 | I760-L2081 HydrophobicContact CD1-CD1 3.98Å; L2081-T2083 HydrophobicContact CB-CG2 3.87Å; L2081-Y2111 CarbonylContact O-C 3.56Å; L2081-Y2111 WeakPolarHBondContact O-CA 3.48Å; L2081-V2112 PolarHBondContact N-O 2.79Å; L2081-V2112 PolarHBondContact O-N 2.79Å; L2081-T2114 HydrophobicContact CD1-CG2 4.24Å; L2081-T2114 HydrophobicContact CD2-CG2 4.37Å; L2081-T2114 HydrophobicContact CG-CG2 3.73Å |
| 2082 | L | 88 | Confident | 78.2 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.3 | 170.5 | -66.4 | 162.5 | 0 | 0 | 0 | 108.3 | I2053 I2073 P2077 G2095 L2096 Q2110 Y2111 F2127 | I2053-L2082 HydrophobicContact CD1-CD2 3.28Å; I2073-L2082 HydrophobicContact CD1-CB 4.4Å; I2073-L2082 HydrophobicContact CD1-CD1 3.59Å; P2077-L2082 HydrophobicContact CG-CD1 3.91Å; P2077-L2082 HydrophobicContact CG-CG 3.98Å; L2082-G2095 CarbonylContact O-C 3.47Å; L2082-G2095 WeakPolarHBondContact O-CA 3.27Å; L2082-L2096 WeakPolarHBondContact O-CD1 3.43Å; L2082-L2096 PolarHBondContact O-N 3.25Å; L2082-Q2110 WeakPolarHBondContact CA-O 3.29Å; L2082-Y2111 HydrophobicContact CD2-CD2 4.14Å; L2082-F2127 HydrophobicContact CD1-CB 4.12Å; L2082-F2127 HydrophobicContact CD1-CD1 3.75Å; L2082-F2127 HydrophobicContact CD1-CD2 3.6Å; L2082-F2127 HydrophobicContact CD1-CE1 3.81Å; L2082-F2127 HydrophobicContact CD1-CE2 3.68Å; L2082-F2127 HydrophobicContact CD1-CG 3.6Å; L2082-F2127 HydrophobicContact CD1-CZ 3.74Å; L2082-F2127 HydrophobicContact CD2-CD1 4.34Å; L2082-F2127 HydrophobicContact CD2-CE1 3.77Å; L2082-F2127 HydrophobicContact CD2-CZ 3.9Å; L2082-F2127 HydrophobicContact CG-CE1 4.39Å |
| 2083 | T | 87.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 159.2 | -163.4 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | L2081 L2091 Q2110 | L2081-T2083 HydrophobicContact CB-CG2 3.87Å; T2083-L2091 HydrophobicContact CG2-CD2 3.33Å; T2083-L2091 HydrophobicContact CG2-CG 4.38Å; T2083-Q2110 PolarHBondContact N-O 2.87Å; T2083-Q2110 PolarHBondContact O-N 2.92Å; T2083-Q2110 WeakPolarHBondContact OG1-CG 3.43Å; T2083-Q2110 PolarHBondContact OG1-NE2 2.94Å; T2083-Q2110 PolarHBondContact OG1-O 3.08Å |
| 2084 | R | 87.5 | Confident | 75.7 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 145.2 | 169.1 | -67.7 | 167.9 | -172.7 | 78.1 | 9.3 | 112 | A2086 S2087 D2090 L2096 E2103 Q2108 I2109 | R2084-A2086 PolarHBondContact O-N 3.17Å; R2084-S2087 PolarHBondContact O-N 3.22Å; R2084-D2090 VanDerWaalsContact CB-OD2 3.28Å; R2084-D2090 WeakPolarHBondContact CB-OD2 2.87Å; R2084-D2090 VanDerWaalsContact CD-OD2 3.25Å; R2084-D2090 WeakPolarHBondContact CD-OD2 3.08Å; R2084-D2090 VanDerWaalsContact CG-OD2 3.27Å; R2084-D2090 WeakPolarHBondContact CG-OD2 3.5Å; R2084-D2090 IonicContact CZ-OD2 2.74Å; R2084-D2090 PolarHBondContact N-OD2 3.05Å; R2084-D2090 IonicContact NE-OD2 3.03Å; R2084-D2090 IonicContact NH1-OD1 3.79Å; R2084-D2090 PolarHBondContact NH1-OD1 2.76Å; R2084-D2090 IonicContact NH1-OD2 3.68Å; R2084-D2090 PolarHBondContact NH1-OD2 3.28Å; R2084-L2096 HydrophobicContact CG-CD1 4.36Å; R2084-E2103 IonicContact CZ-OE1 2.8Å; R2084-E2103 IonicContact NE-OE1 3.01Å; R2084-E2103 PolarHBondContact NE-OE1 3.17Å; R2084-E2103 IonicContact NH2-OE1 3.59Å; R2084-E2103 PolarHBondContact NH2-OE1 2.82Å; R2084-Q2108 CarbonylContact C-O 3.45Å; R2084-Q2108 WeakPolarHBondContact CA-O 3.38Å; R2084-Q2108 WeakPolarHBondContact CB-O 3.23Å; R2084-I2109 HydrophobicContact CG-CD1 3.96Å |
| 2085 | V | 74.5 | Confident | 75.1 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 26% | 0.255 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 132.2 | 169.7 | 178 | 0 | 0 | 0 | 0 | 108.6 | I2052 S2087 K2107 Q2108 Q2110 | I2052-V2085 HydrophobicContact CG1-CG2 4.47Å; I2052-V2085 HydrophobicContact CG2-CG2 4.29Å; V2085-S2087 PolarHBondContact O-N 3.36Å; V2085-S2087 VanDerWaalsContact O-N 3.14Å; V2085-K2107 WeakPolarHBondContact CG2-O 3.48Å; V2085-Q2108 PolarHBondContact N-O 2.87Å; V2085-Q2110 HydrophobicContact CG2-CB 4.12Å; V2085-Q2110 HydrophobicContact CG2-CG 4.37Å |
| 2086 | A | 67.6 | Low | 75 | Confident | 97 Ų | 97 | 43 Ų | 43 | 80% | 0.802 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 8.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | R2084 | R2084-A2086 PolarHBondContact O-N 3.17Š|
| 2087 | S | 66.9 | Low | 74.9 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -93.9 | 96.2 | 170.3 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | R2084 V2085 E2089 D2090 | R2084-S2087 PolarHBondContact O-N 3.22Å; V2085-S2087 PolarHBondContact O-N 3.36Å; V2085-S2087 VanDerWaalsContact O-N 3.14Å; S2087-E2089 PolarHBondContact O-N 2.9Å; S2087-D2090 VanDerWaalsContact CB-OD2 3.22Å; S2087-D2090 WeakPolarHBondContact CB-OD2 3.48Å; S2087-D2090 PolarHBondContact O-N 2.88Å; S2087-D2090 VanDerWaalsContact OG-CG 3.32Å; S2087-D2090 PolarHBondContact OG-N 2.77Å; S2087-D2090 VanDerWaalsContact OG-N 3.17Å; S2087-D2090 PolarHBondContact OG-OD2 2.88Å | ||
| 2088 | A | 62.4 | Low | 75.1 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -35.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | D2090 L2091 Y2092 | A2088-D2090 PolarHBondContact O-N 2.66Å; A2088-L2091 VanDerWaalsContact O-CB 3.3Å; A2088-L2091 WeakPolarHBondContact O-CB 3.49Å; A2088-L2091 PolarHBondContact O-N 2.9Å; A2088-L2091 VanDerWaalsContact O-N 3.14Å; A2088-Y2092 HydrophobicContact CB-CE2 4.28Å; A2088-Y2092 WeakPolarHBondContact O-CD2 3.43Å; A2088-Y2092 PolarHBondContact O-N 2.85Å |
| 2089 | E | 68.6 | Low | 75.4 | Confident | 150 Ų | 150 | 40.4 Ų | 40.4 | 70% | 0.701 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.1 | -40.9 | -178.3 | -65.4 | -167.1 | 149.2 | 0 | 0 | 113.3 | S2087 L2091 Y2092 T2093 | S2087-E2089 PolarHBondContact O-N 2.9Å; E2089-L2091 PolarHBondContact O-N 2.81Å; E2089-L2091 VanDerWaalsContact O-N 3.16Å; E2089-Y2092 CarbonylContact O-C 3.59Å; E2089-Y2092 WeakPolarHBondContact O-CA 3.43Å; E2089-Y2092 PolarHBondContact O-N 3.02Å; E2089-T2093 WeakPolarHBondContact O-CG2 3.49Å; E2089-T2093 PolarHBondContact O-N 3.5Å; E2089-T2093 PolarHBondContact O-OG1 2.64Å |
| 2090 | D | 66.7 | Low | 75.7 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -20.1 | 178.5 | -74.4 | -55.8 | 0 | 0 | 0 | 113.3 | R2084 S2087 A2088 T2093 G2095 L2096 | R2084-D2090 VanDerWaalsContact CB-OD2 3.28Å; R2084-D2090 WeakPolarHBondContact CB-OD2 2.87Å; R2084-D2090 VanDerWaalsContact CD-OD2 3.25Å; R2084-D2090 WeakPolarHBondContact CD-OD2 3.08Å; R2084-D2090 VanDerWaalsContact CG-OD2 3.27Å; R2084-D2090 WeakPolarHBondContact CG-OD2 3.5Å; R2084-D2090 IonicContact CZ-OD2 2.74Å; R2084-D2090 PolarHBondContact N-OD2 3.05Å; R2084-D2090 IonicContact NE-OD2 3.03Å; R2084-D2090 IonicContact NH1-OD1 3.79Å; R2084-D2090 PolarHBondContact NH1-OD1 2.76Å; R2084-D2090 IonicContact NH1-OD2 3.68Å; R2084-D2090 PolarHBondContact NH1-OD2 3.28Å; S2087-D2090 VanDerWaalsContact CB-OD2 3.22Å; S2087-D2090 WeakPolarHBondContact CB-OD2 3.48Å; S2087-D2090 PolarHBondContact O-N 2.88Å; S2087-D2090 VanDerWaalsContact OG-CG 3.32Å; S2087-D2090 PolarHBondContact OG-N 2.77Å; S2087-D2090 VanDerWaalsContact OG-N 3.17Å; S2087-D2090 PolarHBondContact OG-OD2 2.88Å; A2088-D2090 PolarHBondContact O-N 2.66Å; D2090-T2093 WeakPolarHBondContact CA-OG1 3.35Å; D2090-G2095 WeakPolarHBondContact O-CA 3.39Å; D2090-G2095 PolarHBondContact O-N 2.88Å; D2090-L2096 HydrophobicContact CB-CD1 3.8Å; D2090-L2096 VanDerWaalsContact OD1-CD1 3.26Å; D2090-L2096 WeakPolarHBondContact OD1-CD1 3.5Å |
| 2091 | L | 60.3 | Low | 75.9 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -78.2 | -35 | 171.6 | -49.9 | 166.7 | 0 | 0 | 0 | 110 | I760 A761 Q762 T2083 A2088 E2089 | I760-L2091 HydrophobicContact CB-CB 4.26Å; I760-L2091 HydrophobicContact CB-CD1 3.92Å; I760-L2091 HydrophobicContact CB-CD2 3.82Å; I760-L2091 HydrophobicContact CB-CG 4.21Å; I760-L2091 HydrophobicContact CD1-CD2 3.72Å; I760-L2091 HydrophobicContact CG1-CD2 4.38Å; I760-L2091 HydrophobicContact CG2-CD1 3.78Å; I760-L2091 HydrophobicContact CG2-CD2 3.96Å; I760-L2091 HydrophobicContact CG2-CG 4.43Å; I760-L2091 WeakPolarHBondContact O-CB 3.32Å; I760-L2091 WeakPolarHBondContact O-CD1 3.41Å; A761-L2091 HydrophobicContact CB-CD1 4.18Å; Q762-L2091 VanDerWaalsContact NE2-CB 3.3Å; Q762-L2091 PolarHBondContact NE2-O 2.97Å; T2083-L2091 HydrophobicContact CG2-CD2 3.33Å; T2083-L2091 HydrophobicContact CG2-CG 4.38Å; A2088-L2091 VanDerWaalsContact O-CB 3.3Å; A2088-L2091 WeakPolarHBondContact O-CB 3.49Å; A2088-L2091 PolarHBondContact O-N 2.9Å; A2088-L2091 VanDerWaalsContact O-N 3.14Å; E2089-L2091 PolarHBondContact O-N 2.81Å; E2089-L2091 VanDerWaalsContact O-N 3.16Å |
| 2092 | Y | 62.9 | Low | 75.7 | Confident | 115 Ų | 115 | 44.4 Ų | 44.4 | 45% | 0.451 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -78.1 | -35.9 | 178.7 | -72.9 | -78.9 | 0 | 0 | 0 | 112.2 | Q762 K764 A2088 E2089 N2094 | Q762-Y2092 HydrophobicContact CB-CD1 4.49Å; Q762-Y2092 HydrophobicContact CB-CE1 3.7Å; Q762-Y2092 HydrophobicContact CG-CD1 4.16Å; Q762-Y2092 HydrophobicContact CG-CE1 3.67Å; Q762-Y2092 HydrophobicContact CG-CE2 4.22Å; Q762-Y2092 VanDerWaalsContact NE2-CA 3.26Å; Q762-Y2092 VanDerWaalsContact NE2-CD1 3.31Å; Q762-Y2092 VanDerWaalsContact NE2-CD2 3.3Å; K764-Y2092 WeakPolarHBondContact O-CE1 3.29Å; A2088-Y2092 HydrophobicContact CB-CE2 4.28Å; A2088-Y2092 WeakPolarHBondContact O-CD2 3.43Å; A2088-Y2092 PolarHBondContact O-N 2.85Å; E2089-Y2092 CarbonylContact O-C 3.59Å; E2089-Y2092 WeakPolarHBondContact O-CA 3.43Å; E2089-Y2092 PolarHBondContact O-N 3.02Å; Y2092-N2094 PolarHBondContact O-N 2.81Å |
| 2093 | T | 61.1 | Low | 75.6 | Confident | 81 Ų | 81 | 46 Ų | 46 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 8.6 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | E2089 D2090 | E2089-T2093 WeakPolarHBondContact O-CG2 3.49Å; E2089-T2093 PolarHBondContact O-N 3.5Å; E2089-T2093 PolarHBondContact O-OG1 2.64Å; D2090-T2093 WeakPolarHBondContact CA-OG1 3.35Å |
| 2094 | N | 64.9 | Low | 75.5 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 29.5 | 171.5 | -136.1 | 1.3 | 0 | 0 | 0 | 114.3 | Q768 K770 H771 R2076 Y2092 | Q768-N2094 PolarHBondContact OE1-ND2 2.89Å; K770-N2094 WeakPolarHBondContact CE-ND2 3.34Å; K770-N2094 WeakPolarHBondContact CE-OD1 3.13Å; K770-N2094 PolarHBondContact NZ-O 2.9Å; K770-N2094 PolarHBondContact NZ-OD1 2.94Å; H771-N2094 PolarHBondContact CE1-ND2 2.9Å; H771-N2094 PolarHBondContact CE1-OD1 2.79Å; H771-N2094 PolarHBondContact NE2-ND2 3.29Å; H771-N2094 PolarHBondContact NE2-OD1 3.22Å; H771-N2094 VanDerWaalsContact NE2-OD1 3.09Å; R2076-N2094 PolarHBondContact NH1-O 2.96Å; Y2092-N2094 PolarHBondContact O-N 2.81Å |
| 2095 | G | 71.3 | Confident | 75.1 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 87.1 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R2076 L2082 D2090 | R2076-G2095 PolarHBondContact NH1-O 2.67Å; L2082-G2095 CarbonylContact O-C 3.47Å; L2082-G2095 WeakPolarHBondContact O-CA 3.27Å; D2090-G2095 WeakPolarHBondContact O-CA 3.39Å; D2090-G2095 PolarHBondContact O-N 2.88Å |
| 2096 | L | 83 | Confident | 75.6 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -58 | 148.7 | -175.3 | -90.1 | 70.8 | 0 | 0 | 0 | 113.9 | I2073 L2082 R2084 D2090 S2098 F2099 I2109 | I2073-L2096 HydrophobicContact CD1-CB 4.4Å; L2082-L2096 WeakPolarHBondContact O-CD1 3.43Å; L2082-L2096 PolarHBondContact O-N 3.25Å; R2084-L2096 HydrophobicContact CG-CD1 4.36Å; D2090-L2096 HydrophobicContact CB-CD1 3.8Å; D2090-L2096 VanDerWaalsContact OD1-CD1 3.26Å; D2090-L2096 WeakPolarHBondContact OD1-CD1 3.5Å; L2096-S2098 WeakPolarHBondContact CD2-O 3.43Å; L2096-F2099 HydrophobicContact CD2-CB 3.66Å; L2096-F2099 HydrophobicContact CD2-CD1 4.15Å; L2096-F2099 HydrophobicContact CD2-CG 4.27Å; L2096-I2109 HydrophobicContact CD2-CD1 3.93Å | ||
| 2097 | D | 82.6 | Confident | 76.3 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -96.9 | -25.8 | 158.3 | -75 | -58.9 | 0 | 0 | 0 | 112.9 | I2073 R2076 | I2073-D2097 PolarHBondContact N-O 2.84Å; R2076-D2097 IonicContact CZ-OD1 3.67Å; R2076-D2097 IonicContact CZ-OD2 3.69Å; R2076-D2097 IonicContact NE-OD1 3.08Å; R2076-D2097 PolarHBondContact NE-OD1 2.93Å; R2076-D2097 IonicContact NH2-OD1 2.65Å; R2076-D2097 PolarHBondContact NH2-OD1 2.99Å; R2076-D2097 IonicContact NH2-OD2 2.67Å; R2076-D2097 PolarHBondContact NH2-OD2 2.63Å |
| 2098 | S | 89.3 | Confident | 77.2 | Confident | 54 Ų | 54 | 54 Ų | 54 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 145.8 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 114 | F2071 L2096 | F2071-S2098 CarbonylContact O-C 3.47Å; F2071-S2098 WeakPolarHBondContact O-CA 3.35Å; F2071-S2098 WeakPolarHBondContact O-CB 3.22Å; L2096-S2098 WeakPolarHBondContact CD2-O 3.43Å |
| 2099 | F | 89 | Confident | 78.4 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 166.6 | 171.1 | 49.7 | -67.9 | 0 | 0 | 0 | 110.2 | L2058 V2070 F2071 I2073 L2096 E2103 L2104 I2109 F2127 | L2058-F2099 HydrophobicContact CD1-CZ 4.4Å; V2070-F2099 CarbonylContact C-O 3.51Å; V2070-F2099 WeakPolarHBondContact CA-O 3.48Å; F2071-F2099 HydrophobicContact CB-CD1 3.94Å; F2071-F2099 HydrophobicContact CB-CD2 4.24Å; F2071-F2099 HydrophobicContact CB-CE1 3.81Å; F2071-F2099 HydrophobicContact CB-CE2 4.11Å; F2071-F2099 HydrophobicContact CB-CG 4.11Å; F2071-F2099 HydrophobicContact CB-CZ 3.89Å; F2071-F2099 WeakPolarHBondContact CB-O 3.45Å; F2071-F2099 HydrophobicContact CD2-CB 4.37Å; F2071-F2099 HydrophobicContact CD2-CD1 4.31Å; F2071-F2099 AromaticContact CD2-CD2 3.1Å; F2071-F2099 HydrophobicContact CD2-CD2 3.1Å; F2071-F2099 HydrophobicContact CD2-CE1 4.41Å; F2071-F2099 AromaticContact CD2-CE2 3.22Å; F2071-F2099 HydrophobicContact CD2-CE2 3.22Å; F2071-F2099 AromaticContact CD2-CG 3.67Å; F2071-F2099 HydrophobicContact CD2-CG 3.67Å; F2071-F2099 AromaticContact CD2-CZ 3.9Å; F2071-F2099 HydrophobicContact CD2-CZ 3.9Å; F2071-F2099 WeakPolarHBondContact CD2-O 3.36Å; F2071-F2099 AromaticContact CE2-CD2 3.76Å; F2071-F2099 HydrophobicContact CE2-CD2 3.76Å; F2071-F2099 AromaticContact CE2-CE2 3.8Å; F2071-F2099 HydrophobicContact CE2-CE2 3.8Å; F2071-F2099 AromaticContact CG-CD2 3.96Å; F2071-F2099 HydrophobicContact CG-CD2 3.96Å; F2071-F2099 HydrophobicContact CG-CE1 4.35Å; F2071-F2099 AromaticContact CG-CE2 3.74Å; F2071-F2099 HydrophobicContact CG-CE2 3.74Å; F2071-F2099 HydrophobicContact CG-CG 4.3Å; F2071-F2099 AromaticContact CG-CZ 3.95Å; F2071-F2099 HydrophobicContact CG-CZ 3.95Å; F2071-F2099 PolarHBondContact N-O 3.38Å; F2071-F2099 PolarHBondContact O-N 2.82Å; I2073-F2099 HydrophobicContact CD1-CD1 4.32Å; I2073-F2099 HydrophobicContact CD1-CE1 3.98Å; I2073-F2099 HydrophobicContact CG1-CE1 4.21Å; L2096-F2099 HydrophobicContact CD2-CB 3.66Å; L2096-F2099 HydrophobicContact CD2-CD1 4.15Å; L2096-F2099 HydrophobicContact CD2-CG 4.27Å; F2099-E2103 WeakPolarHBondContact CA-OE2 3.39Å; F2099-L2104 HydrophobicContact CD2-CB 4.48Å; F2099-L2104 HydrophobicContact CD2-CD1 4.14Å; F2099-L2104 HydrophobicContact CE2-CD1 3.71Å; F2099-I2109 HydrophobicContact CB-CD1 3.49Å; F2099-I2109 VanDerWaalsContact CB-CD1 3.49Å; F2099-I2109 HydrophobicContact CB-CG1 3.92Å; F2099-I2109 HydrophobicContact CD2-CD1 4.32Å; F2099-I2109 HydrophobicContact CD2-CG1 3.78Å; F2099-I2109 HydrophobicContact CD2-CG2 4.31Å; F2099-I2109 HydrophobicContact CG-CD1 4.09Å; F2099-I2109 HydrophobicContact CG-CG1 4.06Å; F2099-I2109 HydrophobicContact CG-CG2 4.46Å; F2099-F2127 HydrophobicContact CE1-CE2 4.42Å; F2099-F2127 HydrophobicContact CZ-CE2 4.26Å |
| 2100 | T | 89 | Confident | 79.3 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | trans | -111 | 162.1 | -177.1 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | A2069 F2071 N2102 E2103 L2104 | A2069-T2100 WeakPolarHBondContact O-CA 3.48Å; A2069-T2100 WeakPolarHBondContact O-CB 3.49Å; A2069-T2100 WeakPolarHBondContact O-CG2 3.39Å; F2071-T2100 VanDerWaalsContact CE2-C 3.5Å; F2071-T2100 WeakPolarHBondContact CE2-O 3.44Å; T2100-N2102 PolarHBondContact O-N 2.82Å; T2100-N2102 PolarHBondContact OG1-N 3.06Å; T2100-E2103 WeakPolarHBondContact CA-OE2 3.49Å; T2100-E2103 VanDerWaalsContact CB-OE2 3.28Å; T2100-E2103 WeakPolarHBondContact CB-OE2 3.37Å; T2100-E2103 VanDerWaalsContact CG2-OE2 3.25Å; T2100-E2103 WeakPolarHBondContact CG2-OE2 3.37Å; T2100-E2103 PolarHBondContact N-OE2 2.86Å; T2100-E2103 WeakPolarHBondContact OG1-CG 3.46Å; T2100-E2103 PolarHBondContact OG1-N 3.41Å; T2100-E2103 VanDerWaalsContact OG1-N 3.11Å; T2100-E2103 PolarHBondContact OG1-OE2 3.22Å; T2100-L2104 WeakPolarHBondContact O-CB 3.5Å; T2100-L2104 PolarHBondContact O-N 2.84Å | ||
| 2101 | A | 83.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -31.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2060 A2069 R2105 | L2060-A2101 HydrophobicContact CD1-CB 3.6Å; L2060-A2101 HydrophobicContact CD2-CB 3.71Å; L2060-A2101 HydrophobicContact CG-CB 4.28Å; A2069-A2101 HydrophobicContact CB-CB 3.25Å; A2101-R2105 VanDerWaalsContact O-CB 3.3Å; A2101-R2105 WeakPolarHBondContact O-CB 3.34Å; A2101-R2105 PolarHBondContact O-N 3.11Å; A2101-R2105 VanDerWaalsContact O-N 3.11Å |
| 2102 | N | 82.9 | Confident | 81.4 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.6 | -57.8 | -179.8 | -69.2 | -11.1 | 0 | 0 | 0 | 110 | T2100 L2104 R2105 D2106 | T2100-N2102 PolarHBondContact O-N 2.82Å; T2100-N2102 PolarHBondContact OG1-N 3.06Å; N2102-L2104 PolarHBondContact O-N 2.68Å; N2102-L2104 VanDerWaalsContact O-N 3.07Å; N2102-R2105 PolarHBondContact O-N 2.87Å; N2102-R2105 PolarHBondContact OD1-NH2 2.97Å; N2102-D2106 WeakPolarHBondContact O-CB 3.49Å; N2102-D2106 PolarHBondContact O-N 3.35Å; N2102-D2106 VanDerWaalsContact O-OD2 3.09Å |
| 2103 | E | 86.4 | Confident | 82.2 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.2 | -41.2 | 177.4 | -71.5 | 159.1 | 125.4 | 0 | 0 | 111.8 | R2084 F2099 T2100 D2106 K2107 Q2108 I2109 | R2084-E2103 IonicContact CZ-OE1 2.8Å; R2084-E2103 IonicContact NE-OE1 3.01Å; R2084-E2103 PolarHBondContact NE-OE1 3.17Å; R2084-E2103 IonicContact NH2-OE1 3.59Å; R2084-E2103 PolarHBondContact NH2-OE1 2.82Å; F2099-E2103 WeakPolarHBondContact CA-OE2 3.39Å; T2100-E2103 WeakPolarHBondContact CA-OE2 3.49Å; T2100-E2103 VanDerWaalsContact CB-OE2 3.28Å; T2100-E2103 WeakPolarHBondContact CB-OE2 3.37Å; T2100-E2103 VanDerWaalsContact CG2-OE2 3.25Å; T2100-E2103 WeakPolarHBondContact CG2-OE2 3.37Å; T2100-E2103 PolarHBondContact N-OE2 2.86Å; T2100-E2103 WeakPolarHBondContact OG1-CG 3.46Å; T2100-E2103 PolarHBondContact OG1-N 3.41Å; T2100-E2103 VanDerWaalsContact OG1-N 3.11Å; T2100-E2103 PolarHBondContact OG1-OE2 3.22Å; E2103-D2106 CarbonylContact O-C 3.59Å; E2103-D2106 PolarHBondContact O-N 2.84Å; E2103-K2107 PolarHBondContact O-N 3.14Å; E2103-Q2108 HydrophobicContact CB-CB 4.01Å; E2103-Q2108 HydrophobicContact CG-CB 4.49Å; E2103-Q2108 WeakPolarHBondContact O-CA 3.49Å; E2103-Q2108 WeakPolarHBondContact O-CB 3.4Å; E2103-Q2108 PolarHBondContact O-N 2.79Å; E2103-I2109 HydrophobicContact CB-CD1 3.9Å; E2103-I2109 HydrophobicContact CB-CG1 4.19Å |
| 2104 | L | 85.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -43.7 | 177.9 | -177 | 131.2 | 0 | 0 | 0 | 114 | I2053 S2055 L2058 F2071 F2099 T2100 N2102 D2106 K2107 R2288 | I2053-L2104 HydrophobicContact CG2-CD1 3.6Å; I2053-L2104 HydrophobicContact CG2-CG 4.5Å; S2055-L2104 PolarHBondContact N-O 2.87Å; L2058-L2104 HydrophobicContact CB-CD1 3.77Å; L2058-L2104 WeakPolarHBondContact O-CD1 3.37Å; L2058-L2104 WeakPolarHBondContact O-CD2 3.49Å; F2071-L2104 HydrophobicContact CE2-CB 4.38Å; F2071-L2104 HydrophobicContact CE2-CD1 4.43Å; F2099-L2104 HydrophobicContact CD2-CB 4.48Å; F2099-L2104 HydrophobicContact CD2-CD1 4.14Å; F2099-L2104 HydrophobicContact CE2-CD1 3.71Å; T2100-L2104 WeakPolarHBondContact O-CB 3.5Å; T2100-L2104 PolarHBondContact O-N 2.84Å; N2102-L2104 PolarHBondContact O-N 2.68Å; N2102-L2104 VanDerWaalsContact O-N 3.07Å; L2104-D2106 VanDerWaalsContact C-N 3.3Å; L2104-K2107 PolarHBondContact O-N 3.12Å; L2104-R2288 HydrophobicContact CD2-CG 4.27Å |
| 2105 | R | 79.2 | Confident | 83 | Confident | 126 Ų | 126 | 36.2 Ų | 36.2 | 48% | 0.475 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.4 | 165.8 | 167.3 | 52.3 | -160.9 | -6.8 | 111.3 | A2101 N2102 K2107 | A2101-R2105 VanDerWaalsContact O-CB 3.3Å; A2101-R2105 WeakPolarHBondContact O-CB 3.34Å; A2101-R2105 PolarHBondContact O-N 3.11Å; A2101-R2105 VanDerWaalsContact O-N 3.11Å; N2102-R2105 PolarHBondContact O-N 2.87Å; N2102-R2105 PolarHBondContact OD1-NH2 2.97Å; R2105-K2107 PolarHBondContact O-N 3.27Å; R2105-K2107 VanDerWaalsContact O-N 3.12Å |
| 2106 | D | 83.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 11.5 | -179.3 | -54.3 | -23.8 | 0 | 0 | 0 | 111.9 | N2102 E2103 L2104 Q2108 | N2102-D2106 WeakPolarHBondContact O-CB 3.49Å; N2102-D2106 PolarHBondContact O-N 3.35Å; N2102-D2106 VanDerWaalsContact O-OD2 3.09Å; E2103-D2106 CarbonylContact O-C 3.59Å; E2103-D2106 PolarHBondContact O-N 2.84Å; L2104-D2106 VanDerWaalsContact C-N 3.3Å; D2106-Q2108 HydrophobicContact CB-CG 3.93Å; D2106-Q2108 PolarHBondContact O-N 2.87Å; D2106-Q2108 VanDerWaalsContact O-N 3.14Å; D2106-Q2108 PolarHBondContact O-NE2 2.82Å |
| 2107 | K | 82.6 | Confident | 81.1 | Confident | 92 Ų | 92 | 40 Ų | 40 | 40% | 0.4 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 27.9 | 178.9 | -52.1 | -166.4 | 175.9 | -147.8 | 0 | 113.6 | I2052 T2054 D2056 V2085 E2103 L2104 R2105 | I2052-K2107 HydrophobicContact CG2-CB 4.29Å; I2052-K2107 WeakPolarHBondContact CG2-O 3.47Å; T2054-K2107 HydrophobicContact CG2-CB 4.44Å; T2054-K2107 HydrophobicContact CG2-CD 3.75Å; T2054-K2107 HydrophobicContact CG2-CG 4.2Å; D2056-K2107 IonicContact OD1-NZ 2.83Å; D2056-K2107 IonicContact OD2-NZ 3.57Å; D2056-K2107 PolarHBondContact OD2-NZ 2.91Å; V2085-K2107 WeakPolarHBondContact CG2-O 3.48Å; E2103-K2107 PolarHBondContact O-N 3.14Å; L2104-K2107 PolarHBondContact O-N 3.12Å; R2105-K2107 PolarHBondContact O-N 3.27Å; R2105-K2107 VanDerWaalsContact O-N 3.12Å |
| 2108 | Q | 85.8 | Confident | 79.8 | Confident | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | trans | -81.3 | -5.8 | -177.6 | -59.3 | -63.5 | -58.7 | 0 | 0 | 114.1 | R2084 V2085 E2103 D2106 | R2084-Q2108 CarbonylContact C-O 3.45Å; R2084-Q2108 WeakPolarHBondContact CA-O 3.38Å; R2084-Q2108 WeakPolarHBondContact CB-O 3.23Å; V2085-Q2108 PolarHBondContact N-O 2.87Å; E2103-Q2108 HydrophobicContact CB-CB 4.01Å; E2103-Q2108 HydrophobicContact CG-CB 4.49Å; E2103-Q2108 WeakPolarHBondContact O-CA 3.49Å; E2103-Q2108 WeakPolarHBondContact O-CB 3.4Å; E2103-Q2108 PolarHBondContact O-N 2.79Å; D2106-Q2108 HydrophobicContact CB-CG 3.93Å; D2106-Q2108 PolarHBondContact O-N 2.87Å; D2106-Q2108 VanDerWaalsContact O-N 3.14Å; D2106-Q2108 PolarHBondContact O-NE2 2.82Å | ||
| 2109 | I | 88.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.4 | -179.6 | -50.1 | -58.8 | 0 | 0 | 0 | 109.6 | I2052 I2053 R2084 L2096 F2099 E2103 | I2052-I2109 VanDerWaalsContact CG2-O 3.31Å; I2052-I2109 WeakPolarHBondContact CG2-O 3.3Å; I2053-I2109 CarbonylContact C-O 3.58Å; I2053-I2109 WeakPolarHBondContact CA-O 3.28Å; I2053-I2109 HydrophobicContact CB-CB 3.94Å; I2053-I2109 HydrophobicContact CB-CG2 3.86Å; I2053-I2109 WeakPolarHBondContact CB-O 3.32Å; I2053-I2109 HydrophobicContact CD1-CG2 4.28Å; I2053-I2109 HydrophobicContact CG2-CB 3.96Å; I2053-I2109 HydrophobicContact CG2-CG2 3.86Å; I2053-I2109 PolarHBondContact N-O 2.96Å; R2084-I2109 HydrophobicContact CG-CD1 3.96Å; L2096-I2109 HydrophobicContact CD2-CD1 3.93Å; F2099-I2109 HydrophobicContact CB-CD1 3.49Å; F2099-I2109 VanDerWaalsContact CB-CD1 3.49Å; F2099-I2109 HydrophobicContact CB-CG1 3.92Å; F2099-I2109 HydrophobicContact CD2-CD1 4.32Å; F2099-I2109 HydrophobicContact CD2-CG1 3.78Å; F2099-I2109 HydrophobicContact CD2-CG2 4.31Å; F2099-I2109 HydrophobicContact CG-CD1 4.09Å; F2099-I2109 HydrophobicContact CG-CG1 4.06Å; F2099-I2109 HydrophobicContact CG-CG2 4.46Å; E2103-I2109 HydrophobicContact CB-CD1 3.9Å; E2103-I2109 HydrophobicContact CB-CG1 4.19Å |
| 2110 | Q | 87 | Confident | 76.7 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.1 | 173.2 | 71.1 | -172.1 | -4.7 | 0 | 0 | 111.6 | V2051 I2052 L2082 T2083 V2085 V2112 | V2051-Q2110 WeakPolarHBondContact O-CA 3.34Å; I2052-Q2110 HydrophobicContact CG1-CB 4.41Å; L2082-Q2110 WeakPolarHBondContact CA-O 3.29Å; T2083-Q2110 PolarHBondContact N-O 2.87Å; T2083-Q2110 PolarHBondContact O-N 2.92Å; T2083-Q2110 WeakPolarHBondContact OG1-CG 3.43Å; T2083-Q2110 PolarHBondContact OG1-NE2 2.94Å; T2083-Q2110 PolarHBondContact OG1-O 3.08Å; V2085-Q2110 HydrophobicContact CG2-CB 4.12Å; V2085-Q2110 HydrophobicContact CG2-CG 4.37Å; Q2110-V2112 HydrophobicContact CG-CG2 4.33Å |
| 2111 | Y | 89 | Confident | 75.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.6 | 163.4 | 176.9 | -95.5 | 0 | 0 | 0 | 109.9 | L2043 V2045 R2050 V2051 P2077 Y2079 G2080 L2081 L2082 D2125 I2145 I2147 | L2043-Y2111 HydrophobicContact CD2-CG 4.3Å; V2045-Y2111 HydrophobicContact CB-CD1 4.46Å; V2045-Y2111 HydrophobicContact CB-CE1 4.26Å; V2045-Y2111 HydrophobicContact CG1-CD1 4.13Å; V2045-Y2111 HydrophobicContact CG1-CE1 3.99Å; V2045-Y2111 HydrophobicContact CG2-CD1 3.7Å; V2045-Y2111 HydrophobicContact CG2-CE1 3.86Å; R2050-Y2111 CarbonylContact C-O 3.3Å; R2050-Y2111 WeakPolarHBondContact CA-O 3.01Å; V2051-Y2111 PolarHBondContact N-O 2.87Å; V2051-Y2111 PolarHBondContact O-N 3.16Å; P2077-Y2111 HydrophobicContact CB-CE2 3.96Å; P2077-Y2111 HydrophobicContact CG-CD2 4.35Å; P2077-Y2111 HydrophobicContact CG-CE2 3.99Å; Y2079-Y2111 PolarHBondContact O-OH 2.81Å; G2080-Y2111 WeakPolarHBondContact CA-OH 3.48Å; G2080-Y2111 PolarHBondContact N-OH 2.75Å; L2081-Y2111 CarbonylContact O-C 3.56Å; L2081-Y2111 WeakPolarHBondContact O-CA 3.48Å; L2082-Y2111 HydrophobicContact CD2-CD2 4.14Å; Y2111-D2125 PolarHBondContact OH-OD2 3.29Å; Y2111-I2145 HydrophobicContact CD1-CG2 4.29Å; Y2111-I2145 HydrophobicContact CD2-CD1 3.72Å; Y2111-I2145 HydrophobicContact CE1-CG2 3.81Å; Y2111-I2145 HydrophobicContact CE2-CD1 3.51Å; Y2111-I2145 HydrophobicContact CE2-CG2 4.37Å; Y2111-I2145 HydrophobicContact CG-CD1 4.45Å; Y2111-I2147 WeakPolarHBondContact OH-CD1 3.02Å |
| 2112 | V | 82.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.6 | 170.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | I760 I867 R2050 G2080 L2081 Q2110 | I760-V2112 HydrophobicContact CD1-CB 3.79Å; I760-V2112 HydrophobicContact CD1-CG1 3.48Å; I760-V2112 VanDerWaalsContact CD1-CG1 3.48Å; I760-V2112 HydrophobicContact CD1-CG2 4.15Å; I760-V2112 HydrophobicContact CG1-CG1 4.31Å; I867-V2112 HydrophobicContact CD1-CG1 4.24Å; R2050-V2112 HydrophobicContact CB-CG2 4.11Å; R2050-V2112 HydrophobicContact CG-CB 4.28Å; R2050-V2112 HydrophobicContact CG-CG1 3.86Å; R2050-V2112 HydrophobicContact CG-CG2 3.76Å; G2080-V2112 CarbonylContact C-O 3.4Å; G2080-V2112 WeakPolarHBondContact CA-O 3.46Å; L2081-V2112 PolarHBondContact N-O 2.79Å; L2081-V2112 PolarHBondContact O-N 2.79Å; Q2110-V2112 HydrophobicContact CG-CG2 4.33Å |
| 2113 | S | 79.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132 | 173.6 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | D2049 V2115 | D2049-S2113 PolarHBondContact O-N 3.17Å; S2113-V2115 VanDerWaalsContact C-N 3.35Å; S2113-V2115 PolarHBondContact OG-N 2.81Å |
| 2114 | T | 75.7 | Confident | 73.4 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | trans | -97.7 | 14.9 | 171.2 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | P756 T758 Y2079 G2080 L2081 | P756-T2114 WeakPolarHBondContact CB-O 3.21Å; T758-T2114 HydrophobicContact CG2-CG2 4.37Å; T758-T2114 WeakPolarHBondContact OG1-CA 3.07Å; T758-T2114 WeakPolarHBondContact OG1-CB 3.27Å; T758-T2114 WeakPolarHBondContact OG1-CG2 3.4Å; T758-T2114 PolarHBondContact OG1-O 3.45Å; Y2079-T2114 PolarHBondContact O-N 3.33Å; Y2079-T2114 PolarHBondContact O-OG1 2.92Å; Y2079-T2114 VanDerWaalsContact O-OG1 3.14Å; G2080-T2114 PolarHBondContact N-OG1 3.48Å; L2081-T2114 HydrophobicContact CD1-CG2 4.24Å; L2081-T2114 HydrophobicContact CD2-CG2 4.37Å; L2081-T2114 HydrophobicContact CG-CG2 3.73Å | ||
| 2115 | V | 65.5 | Low | 73.3 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | trans | -90.7 | 142.1 | -176.2 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | C2047 Y2079 S2113 V2119 I2147 | C2047-V2115 VanDerWaalsContact SG-CG1 3.54Å; Y2079-V2115 HydrophobicContact CD1-CG2 4.35Å; Y2079-V2115 HydrophobicContact CG-CG2 4.2Å; S2113-V2115 VanDerWaalsContact C-N 3.35Å; S2113-V2115 PolarHBondContact OG-N 2.81Å; V2115-V2119 HydrophobicContact CG1-CB 3.62Å; V2115-V2119 HydrophobicContact CG1-CG1 4.38Å; V2115-V2119 HydrophobicContact CG1-CG2 3.23Å; V2115-I2147 HydrophobicContact CG2-CD1 3.72Å; V2115-I2147 HydrophobicContact CG2-CG2 4.29Å | ||
| 2116 | N | 58.9 | Low | 73.8 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | trans | -90.1 | 166.1 | 174.9 | -63.6 | 8.5 | 0 | 0 | 0 | 110.8 | Y843 C2047 D2118 V2119 | Y843-N2116 HydrophobicContact CD1-CB 3.67Å; Y843-N2116 WeakPolarHBondContact CD1-ND2 2.94Å; Y843-N2116 WeakPolarHBondContact CD1-OD1 3.49Å; Y843-N2116 HydrophobicContact CE1-CB 3.73Å; Y843-N2116 WeakPolarHBondContact CE1-OD1 3.08Å; Y843-N2116 HydrophobicContact CG-CB 4.18Å; C2047-N2116 PolarHBondContact SG-O 2.97Å; N2116-D2118 PolarHBondContact O-N 2.68Å; N2116-V2119 PolarHBondContact O-N 3.1Å | ||
| 2117 | E | 56.9 | Low | 74 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -4.3 | 173.8 | -72.5 | 158 | -172 | 0 | 0 | 114.4 | Y843 V2119 R2150 | Y843-E2117 HydrophobicContact CE2-CB 4.29Å; Y843-E2117 HydrophobicContact CE2-CG 3.81Å; Y843-E2117 WeakPolarHBondContact CE2-OE2 3.36Å; E2117-V2119 VanDerWaalsContact C-N 3.3Å; E2117-V2119 PolarHBondContact O-N 3.1Å; E2117-R2150 IonicContact OE1-CZ 2.68Å; E2117-R2150 IonicContact OE1-NH1 2.75Å; E2117-R2150 PolarHBondContact OE1-NH1 3Å; E2117-R2150 IonicContact OE1-NH2 2.73Å; E2117-R2150 PolarHBondContact OE1-NH2 2.88Å |
| 2118 | D | 55.5 | Low | 74.3 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 57% | 0.567 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.3 | 173.7 | -62.5 | -67 | 0 | 0 | 0 | 115.1 | N2116 K2120 | N2116-D2118 PolarHBondContact O-N 2.68Å; D2118-K2120 PolarHBondContact O-N 3.44Å |
| 2119 | V | 56.4 | Low | 74.5 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | trans | -80.5 | 106.7 | -176.2 | 157.9 | 0 | 0 | 0 | 0 | 112.4 | V2115 N2116 E2117 K2121 E2123 P2149 | V2115-V2119 HydrophobicContact CG1-CB 3.62Å; V2115-V2119 HydrophobicContact CG1-CG1 4.38Å; V2115-V2119 HydrophobicContact CG1-CG2 3.23Å; N2116-V2119 PolarHBondContact O-N 3.1Å; E2117-V2119 VanDerWaalsContact C-N 3.3Å; E2117-V2119 PolarHBondContact O-N 3.1Å; V2119-K2121 WeakPolarHBondContact CG1-O 3.27Å; V2119-E2123 HydrophobicContact CG1-CB 4.4Å; V2119-E2123 HydrophobicContact CG1-CG 3.77Å; V2119-E2123 HydrophobicContact CG2-CG 4.29Å; V2119-P2149 HydrophobicContact CG1-CG 4.45Å; V2119-P2149 WeakPolarHBondContact O-CB 3.35Å; V2119-P2149 WeakPolarHBondContact O-CG 3.32Å | ||
| 2120 | K | 55.4 | Low | 74.5 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | trans | -91.4 | -6.5 | -171.5 | -79.3 | -155.8 | 166.1 | -142.7 | 0 | 116.1 | D2118 N2156 S2157 | D2118-K2120 PolarHBondContact O-N 3.44Å; K2120-N2156 PolarHBondContact NZ-O 3.01Å; K2120-S2157 VanDerWaalsContact CG-CB 3.43Å; K2120-S2157 WeakPolarHBondContact O-CB 3.32Å; K2120-S2157 PolarHBondContact O-OG 2.62Å | ||
| 2121 | K | 59.1 | Low | 74.7 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -139.4 | 162.9 | -180 | -64.6 | -164.7 | 176.1 | -163.9 | 0 | 109.3 | V2119 E2123 F2160 | V2119-K2121 WeakPolarHBondContact CG1-O 3.27Å; K2121-E2123 PolarHBondContact O-N 3.11Å; K2121-F2160 PolarHBondContact NZ-O 2.87Å |
| 2122 | V | 65.9 | Low | 74.7 | Confident | 87 Ų | 87 | 39.5 Ų | 39.5 | 53% | 0.527 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 117.2 | 173.6 | 168 | 0 | 0 | 0 | 0 | 109.6 | L2146 I2148 | V2122-L2146 HydrophobicContact CG1-CD1 3.31Å; V2122-L2146 HydrophobicContact CG1-CD2 3.54Å; V2122-L2146 HydrophobicContact CG1-CG 3.56Å; V2122-I2148 HydrophobicContact CG2-CG2 4.48Å |
| 2123 | E | 71.9 | Confident | 74.7 | Confident | 63 Ų | 63 | 39.5 Ų | 39.5 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.4 | -179.8 | -78.4 | -73.3 | 164.4 | 0 | 0 | 110.5 | Y2079 V2119 K2121 I2147 | Y2079-E2123 HydrophobicContact CD2-CB 4.34Å; Y2079-E2123 HydrophobicContact CE2-CB 3.91Å; Y2079-E2123 HydrophobicContact CE2-CG 4.23Å; Y2079-E2123 WeakPolarHBondContact CE2-OE2 3.46Å; Y2079-E2123 VanDerWaalsContact OH-CD 3.27Å; Y2079-E2123 PolarHBondContact OH-OE2 2.87Å; V2119-E2123 HydrophobicContact CG1-CB 4.4Å; V2119-E2123 HydrophobicContact CG1-CG 3.77Å; V2119-E2123 HydrophobicContact CG2-CG 4.29Å; K2121-E2123 PolarHBondContact O-N 3.11Å; E2123-I2147 HydrophobicContact CB-CB 4.34Å; E2123-I2147 PolarHBondContact N-O 2.66Å; E2123-I2147 PolarHBondContact O-N 2.8Å |
| 2124 | L | 77.1 | Confident | 74.7 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 45% | 0.45 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.7 | 175.5 | -171.8 | 70.9 | 0 | 0 | 0 | 109.9 | L2146 | L2124-L2146 HydrophobicContact CD1-CD1 3.96Å |
| 2125 | D | 83.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 163.5 | 165.7 | -158.7 | 2.6 | 0 | 0 | 0 | 111.2 | P2077 K2078 Y2079 G2080 Y2111 S2144 I2145 I2147 | P2077-D2125 WeakPolarHBondContact CB-OD2 3.35Å; K2078-D2125 VanDerWaalsContact CB-OD1 3.29Å; K2078-D2125 WeakPolarHBondContact CB-OD1 3.07Å; K2078-D2125 VanDerWaalsContact N-CG 3.32Å; K2078-D2125 PolarHBondContact N-OD1 3.21Å; K2078-D2125 PolarHBondContact N-OD2 3.22Å; K2078-D2125 VanDerWaalsContact N-OD2 3.12Å; Y2079-D2125 WeakPolarHBondContact CA-OD2 3.43Å; Y2079-D2125 WeakPolarHBondContact CB-OD2 3.48Å; Y2079-D2125 HydrophobicContact CD2-CB 3.91Å; Y2079-D2125 HydrophobicContact CG-CB 4.46Å; Y2079-D2125 PolarHBondContact N-OD2 3.24Å; G2080-D2125 PolarHBondContact N-OD2 2.99Å; Y2111-D2125 PolarHBondContact OH-OD2 3.29Å; D2125-S2144 CarbonylContact O-C 3.29Å; D2125-S2144 WeakPolarHBondContact O-CA 3.36Å; D2125-S2144 VanDerWaalsContact O-CB 3.27Å; D2125-S2144 WeakPolarHBondContact O-CB 3.5Å; D2125-I2145 HydrophobicContact CB-CB 4.25Å; D2125-I2145 PolarHBondContact N-O 2.89Å; D2125-I2145 PolarHBondContact O-N 2.69Å; D2125-I2147 HydrophobicContact CB-CD1 4.24Å |
| 2126 | E | 88.7 | Confident | 75.3 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 145 | 172.2 | 54 | 161.8 | -109.2 | 0 | 0 | 113 | K2075 K2128 Q2142 V2143 F2182 | K2075-E2126 WeakPolarHBondContact CD-OE1 3.25Å; K2075-E2126 WeakPolarHBondContact CE-OE1 3.36Å; K2075-E2126 IonicContact NZ-OE1 3.85Å; K2075-E2126 PolarHBondContact NZ-OE1 2.99Å; E2126-K2128 WeakPolarHBondContact OE1-CE 3.42Å; E2126-K2128 IonicContact OE1-NZ 3.9Å; E2126-Q2142 HydrophobicContact CB-CG 4.21Å; E2126-Q2142 PolarHBondContact OE2-NE2 2.58Å; E2126-V2143 CarbonylContact C-O 3.59Å; E2126-V2143 VanDerWaalsContact CA-O 3.23Å; E2126-V2143 WeakPolarHBondContact CA-O 3.48Å; E2126-F2182 WeakPolarHBondContact OE2-CE2 3.46Å |
| 2127 | F | 87.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.1 | 162.2 | 75.3 | -90.2 | 0 | 0 | 0 | 111.3 | I2053 L2058 K2075 P2077 L2082 F2099 F2129 Q2142 V2143 I2145 | I2053-F2127 HydrophobicContact CD1-CZ 4.42Å; L2058-F2127 HydrophobicContact CD1-CE1 4.4Å; L2058-F2127 HydrophobicContact CD1-CE2 4.35Å; L2058-F2127 HydrophobicContact CD1-CZ 3.57Å; K2075-F2127 CarbonylContact O-C 3.53Å; K2075-F2127 WeakPolarHBondContact O-CA 3.25Å; K2075-F2127 VanDerWaalsContact O-CB 3.24Å; K2075-F2127 WeakPolarHBondContact O-CB 3.37Å; P2077-F2127 HydrophobicContact CG-CB 4Å; P2077-F2127 HydrophobicContact CG-CD1 4.46Å; L2082-F2127 HydrophobicContact CD1-CB 4.12Å; L2082-F2127 HydrophobicContact CD1-CD1 3.75Å; L2082-F2127 HydrophobicContact CD1-CD2 3.6Å; L2082-F2127 HydrophobicContact CD1-CE1 3.81Å; L2082-F2127 HydrophobicContact CD1-CE2 3.68Å; L2082-F2127 HydrophobicContact CD1-CG 3.6Å; L2082-F2127 HydrophobicContact CD1-CZ 3.74Å; L2082-F2127 HydrophobicContact CD2-CD1 4.34Å; L2082-F2127 HydrophobicContact CD2-CE1 3.77Å; L2082-F2127 HydrophobicContact CD2-CZ 3.9Å; L2082-F2127 HydrophobicContact CG-CE1 4.39Å; F2099-F2127 HydrophobicContact CE1-CE2 4.42Å; F2099-F2127 HydrophobicContact CZ-CE2 4.26Å; F2127-F2129 HydrophobicContact CD2-CD1 4.4Å; F2127-F2129 HydrophobicContact CE2-CD1 4.19Å; F2127-Q2142 WeakPolarHBondContact O-CA 3.19Å; F2127-V2143 HydrophobicContact CD1-CB 3.8Å; F2127-V2143 HydrophobicContact CD1-CG2 4.04Å; F2127-V2143 HydrophobicContact CD2-CG2 4.18Å; F2127-V2143 HydrophobicContact CE1-CB 3.59Å; F2127-V2143 HydrophobicContact CE1-CG1 4.08Å; F2127-V2143 HydrophobicContact CE1-CG2 3.58Å; F2127-V2143 HydrophobicContact CE2-CG2 3.73Å; F2127-V2143 HydrophobicContact CG-CB 4.41Å; F2127-V2143 HydrophobicContact CG-CG2 4.35Å; F2127-V2143 HydrophobicContact CZ-CB 4.03Å; F2127-V2143 HydrophobicContact CZ-CG2 3.45Å; F2127-V2143 VanDerWaalsContact CZ-CG2 3.45Å; F2127-V2143 PolarHBondContact N-O 3.48Å; F2127-V2143 PolarHBondContact O-N 3.38Å; F2127-I2145 HydrophobicContact CD1-CD1 3.7Å; F2127-I2145 HydrophobicContact CE1-CD1 4.08Å |
| 2128 | K | 90 | Very high | 77.9 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.2 | 175.5 | -55.6 | -175.9 | -168.1 | -91 | 0 | 109.6 | T2074 K2075 E2126 G2141 Q2142 | T2074-K2128 PolarHBondContact N-O 3.17Å; T2074-K2128 VanDerWaalsContact OG1-C 3.31Å; T2074-K2128 PolarHBondContact OG1-O 2.85Å; K2075-K2128 HydrophobicContact CB-CB 3.9Å; K2075-K2128 HydrophobicContact CB-CD 4.46Å; K2075-K2128 HydrophobicContact CB-CG 4.09Å; K2075-K2128 HydrophobicContact CD-CD 4.48Å; K2075-K2128 HydrophobicContact CD-CG 4.38Å; K2075-K2128 PolarHBondContact N-O 2.88Å; K2075-K2128 VanDerWaalsContact N-O 3.1Å; K2075-K2128 PolarHBondContact O-N 3.18Å; E2126-K2128 WeakPolarHBondContact OE1-CE 3.42Å; E2126-K2128 IonicContact OE1-NZ 3.9Å; K2128-G2141 WeakPolarHBondContact CA-O 3.37Å; K2128-G2141 WeakPolarHBondContact CB-O 3.37Å; K2128-Q2142 HydrophobicContact CG-CB 4.17Å; K2128-Q2142 HydrophobicContact CG-CG 4.41Å |
| 2129 | F | 89.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.8 | 177.1 | 57.5 | -98.3 | 0 | 0 | 0 | 110.9 | P2036 Q2040 R2072 F2127 L2131 I2140 G2141 V2143 V2289 N2290 | P2036-F2129 HydrophobicContact CB-CE2 4.31Å; P2036-F2129 HydrophobicContact CG-CE2 3.99Å; P2036-F2129 HydrophobicContact CG-CZ 4.4Å; Q2040-F2129 VanDerWaalsContact OE1-CZ 3.24Å; R2072-F2129 CarbonylContact O-C 3.53Å; R2072-F2129 WeakPolarHBondContact O-CA 3.36Å; R2072-F2129 WeakPolarHBondContact O-CB 3.19Å; F2127-F2129 HydrophobicContact CD2-CD1 4.4Å; F2127-F2129 HydrophobicContact CE2-CD1 4.19Å; F2129-L2131 HydrophobicContact CD2-CB 4.48Å; F2129-I2140 WeakPolarHBondContact O-CA 3.4Å; F2129-G2141 PolarHBondContact N-O 2.84Å; F2129-G2141 PolarHBondContact O-N 3.11Å; F2129-V2143 HydrophobicContact CD1-CG2 4.21Å; F2129-V2143 HydrophobicContact CE1-CG2 3.81Å; F2129-V2289 HydrophobicContact CZ-CB 4.45Å; F2129-V2289 HydrophobicContact CZ-CG1 4.3Å; F2129-V2289 HydrophobicContact CZ-CG2 4.15Å; F2129-N2290 WeakPolarHBondContact CE2-ND2 3.3Å; F2129-N2290 WeakPolarHBondContact CE2-OD1 3.3Å; F2129-N2290 WeakPolarHBondContact CZ-ND2 3.44Å |
| 2130 | E | 90.7 | Very high | 80.7 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.6 | 156.8 | 177 | -170.6 | -178.3 | 0 | 0 | 107.3 | R2072 T2074 T2132 | R2072-E2130 HydrophobicContact CB-CB 4.34Å; R2072-E2130 WeakPolarHBondContact CD-OE2 3.32Å; R2072-E2130 IonicContact CZ-OE2 2.65Å; R2072-E2130 PolarHBondContact N-O 2.9Å; R2072-E2130 IonicContact NE-OE2 2.65Å; R2072-E2130 IonicContact NH1-OE2 3.61Å; R2072-E2130 PolarHBondContact NH1-OE2 3.13Å; R2072-E2130 PolarHBondContact O-N 3.46Å; T2074-E2130 HydrophobicContact CG2-CB 3.63Å; E2130-T2132 PolarHBondContact O-N 2.76Å |
| 2131 | L | 89.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 94.2 | 163.3 | -173.1 | 59.6 | 0 | 0 | 0 | 108.3 | P2036 F2071 F2129 P2138 A2139 N2290 C2291 | P2036-L2131 HydrophobicContact CB-CB 3.91Å; P2036-L2131 HydrophobicContact CB-CD2 3.71Å; P2036-L2131 HydrophobicContact CB-CG 4.46Å; F2071-L2131 HydrophobicContact CD1-CD1 3.98Å; F2071-L2131 HydrophobicContact CE1-CD1 4.01Å; F2129-L2131 HydrophobicContact CD2-CB 4.48Å; L2131-P2138 WeakPolarHBondContact O-CA 3.03Å; L2131-A2139 HydrophobicContact CB-CB 4.36Å; L2131-A2139 PolarHBondContact N-O 2.95Å; L2131-A2139 PolarHBondContact O-N 3.27Å; L2131-A2139 VanDerWaalsContact O-N 3.17Å; L2131-N2290 HydrophobicContact CD1-CB 3.69Å; L2131-N2290 HydrophobicContact CD2-CB 3.85Å; L2131-N2290 VanDerWaalsContact CD2-OD1 3.22Å; L2131-N2290 WeakPolarHBondContact CD2-OD1 3.17Å; L2131-N2290 HydrophobicContact CG-CB 4.37Å; L2131-C2291 HydrophobicContact CD1-CB 4.37Å |
| 2132 | T | 88.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | trans | -78.4 | -34.2 | -165.9 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | V2070 E2130 M2293 | V2070-T2132 PolarHBondContact O-OG1 3.1Å; E2130-T2132 PolarHBondContact O-N 2.76Å; T2132-M2293 HydrophobicContact CG2-CE 3.79Å; T2132-M2293 HydrophobicContact CG2-CG 3.91Å; T2132-M2293 HydrophobicContact CG2-SD 4.48Å; T2132-M2293 WeakPolarHBondContact O-CA 3.47Å; T2132-M2293 VanDerWaalsContact O-CB 3.25Å; T2132-M2293 WeakPolarHBondContact O-CB 3.48Å; T2132-M2293 WeakPolarHBondContact O-CG 3.12Å; T2132-M2293 VanDerWaalsContact OG1-CE 3.23Å; T2132-M2293 WeakPolarHBondContact OG1-CE 3.47Å | ||
| 2133 | A | 83.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | 104.2 | 0 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H2292 M2293 | A2133-H2292 VanDerWaalsContact C-CD2 3.43Å; A2133-H2292 VanDerWaalsContact C-CE1 3.4Å; A2133-H2292 VanDerWaalsContact CA-CB 3.5Å; A2133-H2292 WeakPolarHBondContact CA-CD2 3.45Å; A2133-H2292 HydrophobicContact CB-CB 4.23Å; A2133-H2292 PolarHBondContact O-CE1 3.3Å; A2133-H2292 PolarHBondContact O-ND1 3.35Å; A2133-H2292 PolarHBondContact O-NE2 2.8Å; A2133-M2293 VanDerWaalsContact CA-CG 3.45Å; A2133-M2293 HydrophobicContact CB-CB 4.02Å; A2133-M2293 HydrophobicContact CB-CG 4.35Å; A2133-M2293 VanDerWaalsContact N-CG 3.31Å; A2133-M2293 WeakPolarHBondContact O-CB 3.41Å; A2133-M2293 VanDerWaalsContact O-CE 3.26Å; A2133-M2293 WeakPolarHBondContact O-CE 3.43Å; A2133-M2293 WeakPolarHBondContact O-CG 3.19Å | ||
| 2134 | D | 79.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 12% | 0.123 | C | C | . | . | S | Bend | 0 | 123.4 | 0 | -89.2 | -67.5 | 0 | 0 | 0 | 130.4 | R2067 S2068 H2292 M2293 R2294 | R2067-D2134 VanDerWaalsContact CD-O 3.23Å; R2067-D2134 WeakPolarHBondContact CD-O 3.26Å; R2067-D2134 PolarHBondContact NH1-O 2.76Å; S2068-D2134 WeakPolarHBondContact CB-OD2 3.45Å; S2068-D2134 PolarHBondContact OG-OD2 2.85Å; D2134-H2292 CarbonylContact C-O 3.55Å; D2134-H2292 HydrophobicContact CB-CB 4.14Å; D2134-H2292 PolarHBondContact N-ND1 3.19Å; D2134-H2292 VanDerWaalsContact N-ND1 3.17Å; D2134-H2292 CarbonylContact O-C 3.59Å; D2134-H2292 WeakPolarHBondContact O-CA 3.46Å; D2134-M2293 CarbonylContact C-O 3.53Å; D2134-M2293 HydrophobicContact CB-CB 4.48Å; D2134-R2294 VanDerWaalsContact OD1-CB 3.23Å; D2134-R2294 WeakPolarHBondContact OD1-CB 3.4Å; D2134-R2294 WeakPolarHBondContact OD1-CD 3.2Å; D2134-R2294 IonicContact OD2-CZ 3.06Å; D2134-R2294 IonicContact OD2-NH1 3.26Å; D2134-R2294 PolarHBondContact OD2-NH1 3.36Å | |
| 2135 | R | 74.8 | Confident | 84.5 | Confident | 202 Ų | 202 | 22.2 Ų | 22.2 | 76% | 0.762 | 10% | 0.101 | S | C | * | . | B | Isolated β-bridge | trans | 67.9 | 40.5 | -170.3 | -104.7 | -169.7 | -61.6 | -173.7 | 2 | 123.8 | R2067 H2292 M2293 R2294 | R2067-R2135 VanDerWaalsContact NH1-C 3.26Å; R2067-R2135 PolarHBondContact NH1-O 2.82Å; R2135-H2292 CarbonylContact C-O 3.42Å; R2135-H2292 PolarHBondContact N-O 3.06Å; R2135-M2293 CarbonylContact C-O 3.6Å; R2135-M2293 VanDerWaalsContact C-O 3.26Å; R2135-M2293 WeakPolarHBondContact CA-O 3.46Å; R2135-M2293 VanDerWaalsContact N-C 3.33Å; R2135-M2293 PolarHBondContact N-O 3.39Å; R2135-R2294 WeakPolarHBondContact CG-O 3.45Å; R2135-R2294 PolarHBondContact N-O 3.12Å |
| 2136 | L | 79.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 22.7 Ų | 22.7 | 7% | 0.073 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -161.2 | 164 | 177.1 | -59 | 169.8 | 0 | 0 | 0 | 108.4 | Q1943 T1944 L2064 H2292 M2293 | Q1943-L2136 HydrophobicContact CG-CD1 4.18Å; Q1943-L2136 VanDerWaalsContact NE2-CD1 3.25Å; T1944-L2136 HydrophobicContact CG2-CD1 4.44Å; L2064-L2136 HydrophobicContact CD2-CD1 3.42Å; L2064-L2136 VanDerWaalsContact CD2-CD1 3.42Å; L2136-H2292 WeakPolarHBondContact CA-O 3.46Å; L2136-H2292 WeakPolarHBondContact CB-O 3.25Å; L2136-H2292 WeakPolarHBondContact CG-O 3.17Å; L2136-H2292 PolarHBondContact N-O 3.31Å; L2136-M2293 PolarHBondContact N-O 2.9Å; L2136-M2293 CarbonylContact O-C 3.03Å; L2136-M2293 WeakPolarHBondContact O-CA 2.82Å; L2136-M2293 PolarHBondContact O-N 2.55Å |
| 2137 | Q | 81.8 | Confident | 83.8 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -72.5 | 157 | 175.5 | 64.2 | -167.9 | 9.2 | 0 | 0 | 112.6 | Y1941 Q1943 M2007 V2034 | Y1941-Q2137 VanDerWaalsContact CZ-NE2 3.29Å; Y1941-Q2137 PolarHBondContact OH-NE2 2.89Å; Q1943-Q2137 HydrophobicContact CB-CG 4.47Å; M2007-Q2137 HydrophobicContact CB-CB 4.47Å; M2007-Q2137 HydrophobicContact CE-CB 3.93Å; M2007-Q2137 HydrophobicContact CE-CG 4.37Å; M2007-Q2137 WeakPolarHBondContact O-CA 3.24Å; M2007-Q2137 VanDerWaalsContact O-CB 3.25Å; M2007-Q2137 WeakPolarHBondContact O-CB 3.46Å; V2034-Q2137 HydrophobicContact CG1-CG 4.08Å; V2034-Q2137 HydrophobicContact CG2-CG 4.35Å; V2034-Q2137 VanDerWaalsContact CG2-NE2 3.29Å | ||
| 2138 | P | 86.7 | Confident | 83.2 | Confident | 15 Ų | 15 | 23 Ų | 23 | 10% | 0.097 | 11% | 0.106 | C | C | . | . | trans | -61.5 | 151.9 | 172.1 | -21.5 | 34.1 | 0 | 0 | 0 | 112.1 | M2007 Y2010 L2131 | M2007-P2138 VanDerWaalsContact O-CD 3.29Å; M2007-P2138 WeakPolarHBondContact O-CD 3.29Å; Y2010-P2138 WeakPolarHBondContact CA-O 3.41Å; Y2010-P2138 VanDerWaalsContact CB-O 3.24Å; Y2010-P2138 WeakPolarHBondContact CB-O 3.3Å; L2131-P2138 WeakPolarHBondContact O-CA 3.03Å | ||
| 2139 | A | 86.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1943 V2034 P2036 L2131 | Q1943-A2139 HydrophobicContact CB-CB 3.85Å; Q1943-A2139 HydrophobicContact CG-CB 4.48Å; V2034-A2139 HydrophobicContact CB-CB 4.11Å; V2034-A2139 HydrophobicContact CG1-CB 3.56Å; P2036-A2139 VanDerWaalsContact CA-CB 3.43Å; P2036-A2139 HydrophobicContact CB-CB 3.74Å; L2131-A2139 HydrophobicContact CB-CB 4.36Å; L2131-A2139 PolarHBondContact N-O 2.95Å; L2131-A2139 PolarHBondContact O-N 3.27Å; L2131-A2139 VanDerWaalsContact O-N 3.17Å |
| 2140 | I | 84.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 23.6 Ų | 23.6 | 18% | 0.179 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119 | -173.4 | -165.8 | 170.6 | 0 | 0 | 0 | 112.8 | Y2010 W2033 V2034 P2036 F2129 | Y2010-I2140 HydrophobicContact CD2-CB 3.9Å; Y2010-I2140 HydrophobicContact CD2-CG2 3.52Å; Y2010-I2140 HydrophobicContact CE2-CB 4.16Å; Y2010-I2140 HydrophobicContact CE2-CD1 3.95Å; Y2010-I2140 HydrophobicContact CE2-CG2 3.8Å; Y2010-I2140 HydrophobicContact CG-CG2 4.49Å; W2033-I2140 HydrophobicContact CE3-CG2 3.53Å; W2033-I2140 HydrophobicContact CZ3-CG2 3.76Å; V2034-I2140 PolarHBondContact O-N 3.21Å; P2036-I2140 VanDerWaalsContact CD-O 3.26Å; P2036-I2140 WeakPolarHBondContact CD-O 3.38Å; F2129-I2140 WeakPolarHBondContact O-CA 3.4Å |
| 2141 | G | 80.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2128 F2129 | K2128-G2141 WeakPolarHBondContact CA-O 3.37Å; K2128-G2141 WeakPolarHBondContact CB-O 3.37Å; F2129-G2141 PolarHBondContact N-O 2.84Å; F2129-G2141 PolarHBondContact O-N 3.11Å |
| 2142 | Q | 84.3 | Confident | 78.1 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 125.2 | 176.8 | 169.8 | 167.5 | -22 | 0 | 0 | 109.4 | Q2040 E2126 F2127 K2128 S2144 A2181 | Q2040-Q2142 PolarHBondContact NE2-O 2.78Å; Q2040-Q2142 VanDerWaalsContact NE2-O 3.13Å; Q2040-Q2142 VanDerWaalsContact OE1-C 3.23Å; Q2040-Q2142 PolarHBondContact OE1-O 3.17Å; E2126-Q2142 HydrophobicContact CB-CG 4.21Å; E2126-Q2142 PolarHBondContact OE2-NE2 2.58Å; F2127-Q2142 WeakPolarHBondContact O-CA 3.19Å; K2128-Q2142 HydrophobicContact CG-CB 4.17Å; K2128-Q2142 HydrophobicContact CG-CG 4.41Å; Q2142-S2144 PolarHBondContact NE2-OG 3.19Å; Q2142-A2181 HydrophobicContact CG-CB 4.37Å |
| 2143 | V | 81.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.8 | 162.7 | -158.5 | 0 | 0 | 0 | 0 | 106.2 | L2058 E2126 F2127 F2129 | L2058-V2143 HydrophobicContact CD1-CG2 3.97Å; L2058-V2143 HydrophobicContact CD2-CB 4.14Å; L2058-V2143 HydrophobicContact CD2-CG1 3.77Å; L2058-V2143 HydrophobicContact CD2-CG2 3.25Å; L2058-V2143 HydrophobicContact CG-CG2 4.28Å; E2126-V2143 CarbonylContact C-O 3.59Å; E2126-V2143 VanDerWaalsContact CA-O 3.23Å; E2126-V2143 WeakPolarHBondContact CA-O 3.48Å; F2127-V2143 HydrophobicContact CD1-CB 3.8Å; F2127-V2143 HydrophobicContact CD1-CG2 4.04Å; F2127-V2143 HydrophobicContact CD2-CG2 4.18Å; F2127-V2143 HydrophobicContact CE1-CB 3.59Å; F2127-V2143 HydrophobicContact CE1-CG1 4.08Å; F2127-V2143 HydrophobicContact CE1-CG2 3.58Å; F2127-V2143 HydrophobicContact CE2-CG2 3.73Å; F2127-V2143 HydrophobicContact CG-CB 4.41Å; F2127-V2143 HydrophobicContact CG-CG2 4.35Å; F2127-V2143 HydrophobicContact CZ-CB 4.03Å; F2127-V2143 HydrophobicContact CZ-CG2 3.45Å; F2127-V2143 VanDerWaalsContact CZ-CG2 3.45Å; F2127-V2143 PolarHBondContact N-O 3.48Å; F2127-V2143 PolarHBondContact O-N 3.38Å; F2129-V2143 HydrophobicContact CD1-CG2 4.21Å; F2129-V2143 HydrophobicContact CE1-CG2 3.81Å |
| 2144 | S | 82.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 153.3 | 159.9 | -39.1 | 0 | 0 | 0 | 0 | 109.4 | L2043 D2125 Q2142 G2179 | L2043-S2144 PolarHBondContact N-O 2.83Å; D2125-S2144 CarbonylContact O-C 3.29Å; D2125-S2144 WeakPolarHBondContact O-CA 3.36Å; D2125-S2144 VanDerWaalsContact O-CB 3.27Å; D2125-S2144 WeakPolarHBondContact O-CB 3.5Å; Q2142-S2144 PolarHBondContact NE2-OG 3.19Å; S2144-G2179 CarbonylContact C-O 3.57Å; S2144-G2179 VanDerWaalsContact C-O 3.3Å; S2144-G2179 WeakPolarHBondContact CA-O 3.3Å; S2144-G2179 VanDerWaalsContact CB-C 3.43Å; S2144-G2179 WeakPolarHBondContact CB-O 3.19Å; S2144-G2179 PolarHBondContact N-O 3.17Å |
| 2145 | I | 81.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.8 | -172.2 | -63.6 | 147.6 | 0 | 0 | 0 | 105.5 | L2043 V2045 Y2111 D2125 F2127 I2147 | L2043-I2145 HydrophobicContact CB-CB 4.47Å; L2043-I2145 HydrophobicContact CB-CG1 4Å; L2043-I2145 HydrophobicContact CB-CG2 4.47Å; L2043-I2145 HydrophobicContact CD2-CG1 4.1Å; L2043-I2145 HydrophobicContact CD2-CG2 4.33Å; L2043-I2145 CarbonylContact O-C 3.32Å; L2043-I2145 VanDerWaalsContact O-CA 3.23Å; L2043-I2145 WeakPolarHBondContact O-CA 3.31Å; L2043-I2145 WeakPolarHBondContact O-CG2 3.35Å; V2045-I2145 HydrophobicContact CB-CG2 4.31Å; V2045-I2145 HydrophobicContact CG2-CG2 3.58Å; Y2111-I2145 HydrophobicContact CD1-CG2 4.29Å; Y2111-I2145 HydrophobicContact CD2-CD1 3.72Å; Y2111-I2145 HydrophobicContact CE1-CG2 3.81Å; Y2111-I2145 HydrophobicContact CE2-CD1 3.51Å; Y2111-I2145 HydrophobicContact CE2-CG2 4.37Å; Y2111-I2145 HydrophobicContact CG-CD1 4.45Å; D2125-I2145 HydrophobicContact CB-CB 4.25Å; D2125-I2145 PolarHBondContact N-O 2.89Å; D2125-I2145 PolarHBondContact O-N 2.69Å; F2127-I2145 HydrophobicContact CD1-CD1 3.7Å; F2127-I2145 HydrophobicContact CE1-CD1 4.08Å; I2145-I2147 HydrophobicContact CG2-CG1 4.43Å |
| 2146 | L | 78.7 | Confident | 71 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.4 | 176.2 | -159.6 | 76.6 | 0 | 0 | 0 | 109.9 | L2043 V2045 V2122 L2124 I2148 L2178 | L2043-L2146 PolarHBondContact O-N 3.23Å; V2045-L2146 PolarHBondContact N-O 2.94Å; V2045-L2146 VanDerWaalsContact O-O 3.06Å; V2122-L2146 HydrophobicContact CG1-CD1 3.31Å; V2122-L2146 HydrophobicContact CG1-CD2 3.54Å; V2122-L2146 HydrophobicContact CG1-CG 3.56Å; L2124-L2146 HydrophobicContact CD1-CD1 3.96Å; L2146-I2148 HydrophobicContact CD2-CD1 4.1Å; L2146-I2148 HydrophobicContact CD2-CG1 3.75Å; L2146-I2148 HydrophobicContact CG-CG1 4.26Å; L2146-L2178 HydrophobicContact CB-CB 4.13Å; L2146-L2178 HydrophobicContact CB-CD2 4.27Å; L2146-L2178 HydrophobicContact CD1-CD2 4Å; L2146-L2178 HydrophobicContact CD2-CB 4.1Å; L2146-L2178 HydrophobicContact CD2-CD1 3.57Å; L2146-L2178 HydrophobicContact CD2-CD2 3.77Å; L2146-L2178 HydrophobicContact CD2-CG 3.99Å; L2146-L2178 HydrophobicContact CG-CD2 4.21Å |
| 2147 | I | 79.5 | Confident | 68.9 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 105.1 | 173.1 | -54.2 | 179.9 | 0 | 0 | 0 | 107.7 | V2045 Y2079 Y2111 V2115 E2123 D2125 I2145 | V2045-I2147 WeakPolarHBondContact O-CA 3.39Å; Y2079-I2147 HydrophobicContact CD2-CD1 4.17Å; Y2079-I2147 HydrophobicContact CG-CD1 4.15Å; Y2111-I2147 WeakPolarHBondContact OH-CD1 3.02Å; V2115-I2147 HydrophobicContact CG2-CD1 3.72Å; V2115-I2147 HydrophobicContact CG2-CG2 4.29Å; E2123-I2147 HydrophobicContact CB-CB 4.34Å; E2123-I2147 PolarHBondContact N-O 2.66Å; E2123-I2147 PolarHBondContact O-N 2.8Å; D2125-I2147 HydrophobicContact CB-CD1 4.24Å; I2145-I2147 HydrophobicContact CG2-CG1 4.43Å |
| 2148 | I | 73.2 | Confident | 66.5 | Low | 29 Ų | 29 | 39.3 Ų | 39.3 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.1 | 176.3 | -49.4 | -179.4 | 0 | 0 | 0 | 107.6 | V2044 V2045 V2046 C2047 V2122 L2146 F2175 | V2044-I2148 HydrophobicContact CG1-CD1 3.52Å; V2044-I2148 HydrophobicContact CG1-CG1 4.2Å; V2045-I2148 PolarHBondContact O-N 3.31Å; V2046-I2148 CarbonylContact C-O 3.58Å; V2046-I2148 WeakPolarHBondContact CA-O 3.37Å; C2047-I2148 PolarHBondContact N-O 3.45Å; V2122-I2148 HydrophobicContact CG2-CG2 4.48Å; L2146-I2148 HydrophobicContact CD2-CD1 4.1Å; L2146-I2148 HydrophobicContact CD2-CG1 3.75Å; L2146-I2148 HydrophobicContact CG-CG1 4.26Å; I2148-F2175 HydrophobicContact CD1-CE1 3.97Å |
| 2149 | P | 69.1 | Low | 63.8 | Low | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 163.1 | 165.8 | -21.8 | 32.2 | 0 | 0 | 0 | 111.2 | V2119 D2153 I2154 | V2119-P2149 HydrophobicContact CG1-CG 4.45Å; V2119-P2149 WeakPolarHBondContact O-CB 3.35Å; V2119-P2149 WeakPolarHBondContact O-CG 3.32Å; P2149-D2153 HydrophobicContact CB-CB 4.23Å; P2149-I2154 HydrophobicContact CB-CD1 4.29Å; P2149-I2154 HydrophobicContact CB-CG1 3.76Å; P2149-I2154 HydrophobicContact CG-CG1 4.16Å |
| 2150 | R | 68.5 | Low | 61.1 | Low | 62 Ų | 62 | 45.8 Ų | 45.8 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 149.4 | 167.7 | -56.3 | -170.7 | -169.2 | 140 | 16.4 | 108.5 | V2046 C2047 E2117 E2152 D2153 I2154 | V2046-R2150 HydrophobicContact CG1-CB 4.46Å; V2046-R2150 HydrophobicContact CG1-CG 3.8Å; C2047-R2150 PolarHBondContact O-NE 2.75Å; E2117-R2150 IonicContact OE1-CZ 2.68Å; E2117-R2150 IonicContact OE1-NH1 2.75Å; E2117-R2150 PolarHBondContact OE1-NH1 3Å; E2117-R2150 IonicContact OE1-NH2 2.73Å; E2117-R2150 PolarHBondContact OE1-NH2 2.88Å; R2150-E2152 PolarHBondContact O-N 3.21Å; R2150-E2152 VanDerWaalsContact O-N 3.13Å; R2150-D2153 VanDerWaalsContact CB-OD2 3.26Å; R2150-D2153 WeakPolarHBondContact CB-OD2 3.22Å; R2150-D2153 PolarHBondContact N-OD2 3.07Å; R2150-D2153 VanDerWaalsContact N-OD2 3.13Å; R2150-D2153 WeakPolarHBondContact O-CB 3.29Å; R2150-D2153 PolarHBondContact O-N 3.46Å; R2150-I2154 PolarHBondContact O-N 3.03Å |
| 2151 | P | 57.7 | Low | 58.5 | Low | 95 Ų | 95 | 47.1 Ų | 47.1 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -51.7 | -38.2 | 176.8 | -28.2 | 35.9 | 0 | 0 | 0 | 112.9 | D2153 I2154 | P2151-D2153 VanDerWaalsContact C-N 3.27Å; P2151-D2153 PolarHBondContact O-N 2.97Å; P2151-I2154 PolarHBondContact O-N 3.01Å |
| 2152 | E | 57.3 | Low | 56.2 | Low | 144 Ų | 144 | 50.2 Ų | 50.2 | 67% | 0.673 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.2 | -27.8 | 177 | -59.6 | 172 | -156.2 | 0 | 0 | 113.8 | R2150 N2156 | R2150-E2152 PolarHBondContact O-N 3.21Å; R2150-E2152 VanDerWaalsContact O-N 3.13Å; E2152-N2156 PolarHBondContact O-ND2 2.88Å |
| 2153 | D | 51.3 | Low | 53.6 | Low | 37 Ų | 37 | 50.4 Ų | 50.4 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.8 | -32.9 | 178.2 | -57.6 | -44.8 | 0 | 0 | 0 | 111.6 | P2149 R2150 P2151 N2156 S2157 | P2149-D2153 HydrophobicContact CB-CB 4.23Å; R2150-D2153 VanDerWaalsContact CB-OD2 3.26Å; R2150-D2153 WeakPolarHBondContact CB-OD2 3.22Å; R2150-D2153 PolarHBondContact N-OD2 3.07Å; R2150-D2153 VanDerWaalsContact N-OD2 3.13Å; R2150-D2153 WeakPolarHBondContact O-CB 3.29Å; R2150-D2153 PolarHBondContact O-N 3.46Å; P2151-D2153 VanDerWaalsContact C-N 3.27Å; P2151-D2153 PolarHBondContact O-N 2.97Å; D2153-N2156 CarbonylContact O-C 3.59Å; D2153-N2156 PolarHBondContact O-N 3.44Å; D2153-N2156 VanDerWaalsContact O-N 3.12Å; D2153-S2157 VanDerWaalsContact O-CB 3.31Å; D2153-S2157 WeakPolarHBondContact O-CB 3.32Å; D2153-S2157 PolarHBondContact O-N 3.02Å; D2153-S2157 PolarHBondContact O-OG 2.74Å |
| 2154 | I | 45 | Very low | 51.2 | Low | 68 Ų | 68 | 54.1 Ų | 54.1 | 35% | 0.349 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | -176.8 | -58.4 | 178 | 0 | 0 | 0 | 110.3 | P2149 R2150 P2151 N2156 S2157 V2158 | P2149-I2154 HydrophobicContact CB-CD1 4.29Å; P2149-I2154 HydrophobicContact CB-CG1 3.76Å; P2149-I2154 HydrophobicContact CG-CG1 4.16Å; R2150-I2154 PolarHBondContact O-N 3.03Å; P2151-I2154 PolarHBondContact O-N 3.01Å; I2154-N2156 PolarHBondContact O-N 2.8Å; I2154-S2157 WeakPolarHBondContact CA-OG 3.47Å; I2154-S2157 PolarHBondContact O-N 3.4Å; I2154-S2157 PolarHBondContact O-OG 2.74Å; I2154-V2158 HydrophobicContact CG2-CG2 4.17Å; I2154-V2158 WeakPolarHBondContact O-CG2 3.46Å; I2154-V2158 PolarHBondContact O-N 3.34Å; I2154-V2158 VanDerWaalsContact O-N 3.15Å |
| 2155 | E | 42.8 | Very low | 48.6 | Very low | 161 Ų | 161 | 57.2 Ų | 57.2 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.5 | 175.8 | -64 | 179.8 | 168 | 0 | 0 | 113.2 | ||
| 2156 | N | 38.5 | Very low | 46.2 | Very low | 111 Ų | 111 | 58.1 Ų | 58.1 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 2.6 | 178.5 | -66.5 | -82.5 | 0 | 0 | 0 | 113.4 | K2120 E2152 D2153 I2154 | K2120-N2156 PolarHBondContact NZ-O 3.01Å; E2152-N2156 PolarHBondContact O-ND2 2.88Å; D2153-N2156 CarbonylContact O-C 3.59Å; D2153-N2156 PolarHBondContact O-N 3.44Å; D2153-N2156 VanDerWaalsContact O-N 3.12Å; I2154-N2156 PolarHBondContact O-N 2.8Å |
| 2157 | S | 36.8 | Very low | 44 | Very low | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 3.6 | 179.2 | 81.1 | 0 | 0 | 0 | 0 | 114.2 | K2120 D2153 I2154 S2159 | K2120-S2157 VanDerWaalsContact CG-CB 3.43Å; K2120-S2157 WeakPolarHBondContact O-CB 3.32Å; K2120-S2157 PolarHBondContact O-OG 2.62Å; D2153-S2157 VanDerWaalsContact O-CB 3.31Å; D2153-S2157 WeakPolarHBondContact O-CB 3.32Å; D2153-S2157 PolarHBondContact O-N 3.02Å; D2153-S2157 PolarHBondContact O-OG 2.74Å; I2154-S2157 WeakPolarHBondContact CA-OG 3.47Å; I2154-S2157 PolarHBondContact O-N 3.4Å; I2154-S2157 PolarHBondContact O-OG 2.74Å; S2157-S2159 PolarHBondContact O-N 2.85Å |
| 2158 | V | 31.9 | Very low | 41.8 | Very low | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | trans | -68.5 | 66 | 176.4 | 156.8 | 0 | 0 | 0 | 0 | 109.9 | I1055 S1056 I2154 | I1055-V2158 CarbonylContact C-O 3.15Å; I1055-V2158 VanDerWaalsContact C-O 3.31Å; I1055-V2158 HydrophobicContact CD1-CB 4.07Å; I1055-V2158 HydrophobicContact CD1-CG1 4.26Å; I1055-V2158 HydrophobicContact CD1-CG2 3.86Å; I1055-V2158 VanDerWaalsContact CG1-CA 3.42Å; I1055-V2158 HydrophobicContact CG1-CB 3.74Å; I1055-V2158 HydrophobicContact CG1-CG1 3.48Å; I1055-V2158 VanDerWaalsContact CG1-CG1 3.48Å; I1055-V2158 HydrophobicContact CG1-CG2 4.03Å; S1056-V2158 WeakPolarHBondContact O-CG1 3.37Å; I2154-V2158 HydrophobicContact CG2-CG2 4.17Å; I2154-V2158 WeakPolarHBondContact O-CG2 3.46Å; I2154-V2158 PolarHBondContact O-N 3.34Å; I2154-V2158 VanDerWaalsContact O-N 3.15Å | ||
| 2159 | S | 28.9 | Very low | 39.8 | Very low | 22 Ų | 22 | 70.5 Ų | 70.5 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | trans | -171.7 | 133.4 | 170.8 | -9.2 | 0 | 0 | 0 | 0 | 111.2 | L1052 P1053 S2157 | L1052-S2159 VanDerWaalsContact C-CB 3.45Å; L1052-S2159 VanDerWaalsContact CB-CB 3.47Å; L1052-S2159 WeakPolarHBondContact CB-OG 3.39Å; L1052-S2159 WeakPolarHBondContact O-CB 3.29Å; L1052-S2159 PolarHBondContact O-OG 2.67Å; L1052-S2159 VanDerWaalsContact O-OG 3.12Å; P1053-S2159 VanDerWaalsContact O-CB 3.27Å; P1053-S2159 WeakPolarHBondContact O-CB 3.42Å; S2157-S2159 PolarHBondContact O-N 2.85Å | ||
| 2160 | F | 30 | Very low | 38 | Very low | 129 Ų | 129 | 76.1 Ų | 76.1 | 57% | 0.566 | 42% | 0.415 | S | S | * | . | S | Bend | cis | -107.8 | 145.2 | 2.4 | -161.7 | 109.6 | 0 | 0 | 0 | 113 | P1053 I1055 K2121 | P1053-F2160 HydrophobicContact CB-CD1 3.93Å; P1053-F2160 HydrophobicContact CB-CE1 3.96Å; P1053-F2160 VanDerWaalsContact O-CA 3.28Å; P1053-F2160 WeakPolarHBondContact O-CA 3.46Å; P1053-F2160 VanDerWaalsContact O-CB 3.29Å; P1053-F2160 WeakPolarHBondContact O-CB 3.42Å; P1053-F2160 WeakPolarHBondContact O-CD1 3.35Å; P1053-F2160 WeakPolarHBondContact O-CG 3.28Å; I1055-F2160 WeakPolarHBondContact CG2-O 3.37Å; K2121-F2160 PolarHBondContact NZ-O 2.87Å |
| 2161 | A | 30.1 | Very low | 36 | Very low | 63 Ų | 63 | 78.2 Ų | 78.2 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | trans | 88.7 | 82.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | G1054 | G1054-A2161 CarbonylContact O-C 3.55Å; G1054-A2161 WeakPolarHBondContact O-CA 3.43Å; G1054-A2161 PolarHBondContact O-N 2.86Å | ||
| 2162 | E | 31.7 | Very low | 34.6 | Very low | 70 Ų | 70 | 79.2 Ų | 79.2 | 33% | 0.327 | 45% | 0.446 | S | S | . | . | trans | -136.8 | 114.3 | 158.9 | -97.5 | 177.7 | -171.6 | 0 | 0 | 112 | Y1048 G1054 I1055 S1056 | Y1048-E2162 PolarHBondContact OH-O 2.74Å; G1054-E2162 PolarHBondContact O-N 2.65Å; G1054-E2162 VanDerWaalsContact O-N 3.12Å; I1055-E2162 HydrophobicContact CB-CB 3.53Å; I1055-E2162 HydrophobicContact CB-CG 3.86Å; I1055-E2162 HydrophobicContact CD1-CB 4.3Å; I1055-E2162 VanDerWaalsContact CD1-CD 3.4Å; I1055-E2162 HydrophobicContact CD1-CG 3.6Å; I1055-E2162 WeakPolarHBondContact CD1-OE1 3.47Å; I1055-E2162 HydrophobicContact CG1-CB 3.69Å; I1055-E2162 HydrophobicContact CG1-CG 3.53Å; I1055-E2162 WeakPolarHBondContact CG1-OE2 3.23Å; S1056-E2162 PolarHBondContact N-OE2 3.16Å | ||
| 2163 | D | 30.3 | Very low | 33 | Very low | 19 Ų | 19 | 78.2 Ų | 78.2 | 10% | 0.102 | 45% | 0.449 | C | S | . | . | trans | -163.3 | 72.5 | 145.4 | -108.3 | -15.7 | 0 | 0 | 0 | 104.4 | W73 N74 S1046 T1075 | W73-D2163 PolarHBondContact NE1-O 3.17Å; N74-D2163 WeakPolarHBondContact CA-O 3.41Å; N74-D2163 HydrophobicContact CB-CB 4.12Å; N74-D2163 WeakPolarHBondContact OD1-CB 3.4Å; N74-D2163 PolarHBondContact OD1-O 3.03Å; S1046-D2163 WeakPolarHBondContact CB-OD1 3.48Å; S1046-D2163 PolarHBondContact OG-OD1 2.89Å; T1075-D2163 WeakPolarHBondContact CB-OD2 3.5Å; T1075-D2163 WeakPolarHBondContact CG2-OD2 3.22Å; T1075-D2163 PolarHBondContact OG1-OD2 2.87Å | ||
| 2164 | V | 30.3 | Very low | 31.8 | Very low | 80 Ų | 80 | 81.5 Ų | 81.5 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -158.5 | 37.2 | 166.3 | -161.9 | 0 | 0 | 0 | 0 | 112.1 | W73 | W73-V2164 HydrophobicContact CD2-CG2 3.42Å; W73-V2164 VanDerWaalsContact CD2-CG2 3.42Å; W73-V2164 HydrophobicContact CE3-CG2 3.66Å; W73-V2164 HydrophobicContact CG-CG2 4.03Å; W73-V2164 HydrophobicContact CH2-CG2 3.79Å; W73-V2164 HydrophobicContact CZ2-CG2 3.55Å; W73-V2164 HydrophobicContact CZ3-CG2 3.84Å; W73-V2164 WeakPolarHBondContact O-CG1 3.21Å; W73-V2164 WeakPolarHBondContact O-CG2 2.93Å |
| 2165 | A | 28.6 | Very low | 30.8 | Very low | 65 Ų | 65 | 85.9 Ų | 85.9 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | trans | -127.7 | 24.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1041 D2167 | K1041-A2165 VanDerWaalsContact CE-O 3.22Å; K1041-A2165 WeakPolarHBondContact CE-O 3.42Å; K1041-A2165 PolarHBondContact NZ-O 2.87Å; A2165-D2167 PolarHBondContact O-N 3.12Å | ||
| 2166 | G | 29.4 | Very low | 29.9 | Very low | 18 Ų | 18 | 82 Ų | 82 | 19% | 0.186 | 48% | 0.475 | C | S | . | . | trans | -77 | -4.3 | -158.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | K1041 | K1041-G2166 WeakPolarHBondContact CD-O 3.42Š| ||
| 2167 | D | 32.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 80.1 Ų | 80.1 | 67% | 0.674 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -159.2 | 119.4 | 177.3 | -91.5 | -51.2 | 0 | 0 | 0 | 107.3 | A2165 | A2165-D2167 PolarHBondContact O-N 3.12Š|
| 2168 | L | 33.8 | Very low | 28.9 | Very low | 65 Ų | 65 | 84 Ų | 84 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | cis | -126.8 | 161.7 | 36.4 | -64.9 | 109.3 | 0 | 0 | 0 | 113.9 | K1041 V2193 V2194 I2197 | K1041-L2168 PolarHBondContact NZ-O 2.92Å; L2168-V2193 HydrophobicContact CD2-CG1 4.29Å; L2168-V2194 HydrophobicContact CD1-CG2 3.81Å; L2168-V2194 HydrophobicContact CD2-CG2 3.74Å; L2168-V2194 HydrophobicContact CG-CG2 4.18Å; L2168-I2197 HydrophobicContact CD2-CD1 4.32Å | ||
| 2169 | I | 31.2 | Very low | 28.6 | Very low | 112 Ų | 112 | 83 Ų | 83 | 57% | 0.574 | 48% | 0.477 | S | S | * | . | trans | -121.5 | 119.7 | 151.2 | -65.3 | 169.9 | 0 | 0 | 0 | 105.2 | K1041 | K1041-I2169 HydrophobicContact CD-CD1 4.12Å; K1041-I2169 HydrophobicContact CD-CG1 4.27Å | ||
| 2170 | D | 31.1 | Very low | 28.5 | Very low | 121 Ų | 121 | 85.1 Ų | 85.1 | 65% | 0.647 | 49% | 0.492 | S | S | * | . | trans | -171.5 | 126.2 | 130.1 | -135.7 | -39.7 | 0 | 0 | 0 | 113.5 | ||||
| 2171 | S | 26.2 | Very low | 28.3 | Very low | 106 Ų | 106 | 81.1 Ų | 81.1 | 74% | 0.741 | 48% | 0.482 | S | S | * | . | trans | 65.3 | 154.3 | 156 | -66.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2172 | P | 28.5 | Very low | 28.1 | Very low | 117 Ų | 117 | 84.4 Ų | 84.4 | 76% | 0.76 | 49% | 0.485 | S | S | * | . | trans | -119 | 175.3 | -142.9 | 38.3 | -26 | 0 | 0 | 0 | 116.8 | ||||
| 2173 | V | 24.3 | Very low | 27.7 | Very low | 123 Ų | 123 | 89.7 Ų | 89.7 | 75% | 0.745 | 50% | 0.503 | S | S | * | . | trans | 143.2 | 136.4 | 141.2 | 169.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2174 | T | 25.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 94.1 Ų | 94.1 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | trans | 63.9 | 117.9 | 168.9 | 43.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2175 | F | 23.4 | Very low | 27.1 | Very low | 161 Ų | 161 | 95 Ų | 95 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -75.9 | 130.2 | 158.2 | -83.4 | -128.5 | 0 | 0 | 0 | 111.6 | V2044 I2148 | V2044-F2175 HydrophobicContact CG1-CD1 4.5Å; I2148-F2175 HydrophobicContact CD1-CE1 3.97Å | ||
| 2176 | T | 25.9 | Very low | 27 | Very low | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | trans | -165 | 154.6 | 145.2 | 10 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2177 | E | 27.9 | Very low | 26.9 | Very low | 71 Ų | 71 | 100.4 Ų | 100.4 | 33% | 0.332 | 55% | 0.552 | S | S | . | * | trans | 73.4 | 101.7 | 166.5 | -63.2 | 169.6 | -173.4 | 0 | 0 | 116.8 | K2041 D2042 L2286 | K2041-E2177 HydrophobicContact CD-CG 3.88Å; K2041-E2177 WeakPolarHBondContact CD-OE2 3.31Å; K2041-E2177 WeakPolarHBondContact CE-OE2 3.34Å; K2041-E2177 IonicContact NZ-OE1 3.05Å; K2041-E2177 PolarHBondContact NZ-OE1 2.87Å; K2041-E2177 IonicContact NZ-OE2 3.79Å; K2041-E2177 PolarHBondContact NZ-OE2 3.49Å; D2042-E2177 WeakPolarHBondContact O-CA 3.46Å; E2177-L2286 VanDerWaalsContact OE1-CA 3.26Å; E2177-L2286 WeakPolarHBondContact OE1-CA 3.38Å; E2177-L2286 PolarHBondContact OE1-N 2.82Å | ||
| 2178 | L | 25.8 | Very low | 26.9 | Very low | 86 Ų | 86 | 97.7 Ų | 97.7 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | trans | -158.5 | 120.7 | 170.3 | -137.4 | 161.9 | 0 | 0 | 0 | 113.3 | D2042 L2043 V2044 L2146 | D2042-L2178 CarbonylContact C-O 3.22Å; D2042-L2178 VanDerWaalsContact C-O 3.23Å; D2042-L2178 VanDerWaalsContact CA-C 3.44Å; D2042-L2178 PolarHBondContact O-N 3.07Å; L2043-L2178 CarbonylContact C-O 3.52Å; L2043-L2178 PolarHBondContact N-O 2.7Å; V2044-L2178 HydrophobicContact CG2-CB 3.66Å; L2146-L2178 HydrophobicContact CB-CB 4.13Å; L2146-L2178 HydrophobicContact CB-CD2 4.27Å; L2146-L2178 HydrophobicContact CD1-CD2 4Å; L2146-L2178 HydrophobicContact CD2-CB 4.1Å; L2146-L2178 HydrophobicContact CD2-CD1 3.57Å; L2146-L2178 HydrophobicContact CD2-CD2 3.77Å; L2146-L2178 HydrophobicContact CD2-CG 3.99Å; L2146-L2178 HydrophobicContact CG-CD2 4.21Å | ||
| 2179 | G | 25.5 | Very low | 26.6 | Very low | 3 Ų | 3 | 101.5 Ų | 101.5 | 3% | 0.031 | 56% | 0.563 | C | S | . | * | trans | 138.1 | 74.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | D2042 S2144 | D2042-G2179 WeakPolarHBondContact CA-O 3.5Å; D2042-G2179 PolarHBondContact N-O 3.37Å; D2042-G2179 WeakPolarHBondContact OD2-CA 3.4Å; D2042-G2179 PolarHBondContact OD2-N 3.08Å; S2144-G2179 CarbonylContact C-O 3.57Å; S2144-G2179 VanDerWaalsContact C-O 3.3Å; S2144-G2179 WeakPolarHBondContact CA-O 3.3Å; S2144-G2179 VanDerWaalsContact CB-C 3.43Å; S2144-G2179 WeakPolarHBondContact CB-O 3.19Å; S2144-G2179 PolarHBondContact N-O 3.17Å | ||
| 2180 | S | 27.3 | Very low | 26.6 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | trans | -148.7 | 102.7 | 149.9 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | D2042 | D2042-S2180 VanDerWaalsContact OD1-CB 3.3Å; D2042-S2180 WeakPolarHBondContact OD1-CB 3.49Å; D2042-S2180 PolarHBondContact OD1-N 3.37Å; D2042-S2180 PolarHBondContact OD1-OG 3.05Å; D2042-S2180 PolarHBondContact OD2-N 3.35Å | ||
| 2181 | A | 24.5 | Very low | 26.8 | Very low | 44 Ų | 44 | 97.5 Ų | 97.5 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | 93.1 | 111.7 | 94.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q2142 | Q2142-A2181 HydrophobicContact CG-CB 4.37Š| |||
| 2182 | F | 25.4 | Very low | 27.4 | Very low | 132 Ų | 132 | 95.9 Ų | 95.9 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | trans | 60.6 | 106.9 | 156.6 | -74 | -106.4 | 0 | 0 | 0 | 120.8 | E2126 | E2126-F2182 WeakPolarHBondContact OE2-CE2 3.46Š| ||
| 2183 | W | 25.1 | Very low | 28 | Very low | 182 Ų | 182 | 93.9 Ų | 93.9 | 69% | 0.689 | 51% | 0.513 | S | S | * | . | trans | 34.5 | 86 | 139 | -78.1 | 75 | 0 | 0 | 0 | 119.1 | K500 | K500-W2183 HydrophobicContact CD-CB 4.38Å; K500-W2183 PolarHBondContact NZ-O 3.49Å | ||
| 2184 | V | 24.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 90 Ų | 90 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | trans | -169.7 | 145 | 141.1 | 132.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2185 | P | 23.1 | Very low | 29.4 | Very low | 98 Ų | 98 | 85.6 Ų | 85.6 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | trans | -74.2 | 133.9 | -178.9 | 29.5 | -34.9 | 0 | 0 | 0 | 112.2 | ||||
| 2186 | N | 25.5 | Very low | 30.1 | Very low | 118 Ų | 118 | 83 Ų | 83 | 63% | 0.631 | 46% | 0.456 | S | S | * | . | trans | -170.5 | 120.7 | 159.1 | -98.6 | -22.9 | 0 | 0 | 0 | 116.4 | ||||
| 2187 | I | 27.9 | Very low | 30.9 | Very low | 79 Ų | 79 | 83 Ų | 83 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | 63.6 | 94.3 | 127 | -48.9 | 163.8 | 0 | 0 | 0 | 119.7 | Q143 | Q143-I2187 HydrophobicContact CB-CG1 3.73Å; Q143-I2187 HydrophobicContact CG-CG1 4.01Å; Q143-I2187 WeakPolarHBondContact O-CD1 3.32Å; Q143-I2187 VanDerWaalsContact O-CG1 3.26Å; Q143-I2187 WeakPolarHBondContact O-CG1 3.46Å | |||
| 2188 | N | 31.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 83.9 Ų | 83.9 | 37% | 0.369 | 46% | 0.459 | S | S | . | . | 34.3 | 119.6 | 119.5 | 174.7 | 23.7 | 0 | 0 | 0 | 120.8 | E144 S2190 H2191 | E144-N2188 PolarHBondContact OE1-ND2 2.79Å; N2188-S2190 PolarHBondContact OD1-N 2.79Å; N2188-H2191 PolarHBondContact OD1-N 3.22Å | |||
| 2189 | V | 27.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 81.6 Ų | 81.6 | 88% | 0.879 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -137.4 | 84.5 | 139.4 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 2190 | S | 31.4 | Very low | 33.3 | Very low | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | trans | -145.6 | -0.3 | 156.3 | 75.6 | 0 | 0 | 0 | 0 | 114.3 | N2188 D2192 V2193 V2194 | N2188-S2190 PolarHBondContact OD1-N 2.79Å; S2190-D2192 PolarHBondContact O-N 2.82Å; S2190-V2193 PolarHBondContact O-N 3.32Å; S2190-V2194 PolarHBondContact O-N 3.03Å | ||
| 2191 | H | 36.5 | Very low | 34.1 | Very low | 87 Ų | 87 | 85.7 Ų | 85.7 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 8.8 | -179.2 | -133.8 | -61.1 | 0 | 0 | 0 | 115 | E144 N2188 G2195 | E144-H2191 IonicContact OE1-CD2 3.94Å; E144-H2191 PolarHBondContact OE1-CD2 2.93Å; E144-H2191 IonicContact OE1-CG 3.82Å; E144-H2191 IonicContact OE1-NE2 3.62Å; N2188-H2191 PolarHBondContact OD1-N 3.22Å; H2191-G2195 WeakPolarHBondContact O-CA 3.41Å; H2191-G2195 PolarHBondContact O-N 3.02Å |
| 2192 | D | 38.1 | Very low | 35 | Very low | 72 Ų | 72 | 84.7 Ų | 84.7 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -19.3 | 169.1 | -94.8 | -41.8 | 0 | 0 | 0 | 114.6 | S2190 G2195 M2196 K2225 | S2190-D2192 PolarHBondContact O-N 2.82Å; D2192-G2195 CarbonylContact O-C 2.79Å; D2192-M2196 WeakPolarHBondContact O-CB 3.15Å; D2192-M2196 WeakPolarHBondContact O-CG 3.43Å; D2192-M2196 PolarHBondContact O-N 2.8Å; D2192-K2225 WeakPolarHBondContact OD1-CE 3.2Å; D2192-K2225 WeakPolarHBondContact OD2-CE 3.09Å; D2192-K2225 WeakPolarHBondContact OD2-CG 3.37Å |
| 2193 | V | 40.1 | Very low | 36.1 | Very low | 76 Ų | 76 | 82.6 Ų | 82.6 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -87.9 | -43.5 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | L2168 S2190 G2195 M2196 I2197 | L2168-V2193 HydrophobicContact CD2-CG1 4.29Å; S2190-V2193 PolarHBondContact O-N 3.32Å; V2193-G2195 PolarHBondContact O-N 2.89Å; V2193-M2196 CarbonylContact O-C 3.37Å; V2193-M2196 PolarHBondContact O-N 3.08Å; V2193-M2196 VanDerWaalsContact O-N 3.1Å; V2193-I2197 HydrophobicContact CG1-CD1 4.17Å; V2193-I2197 WeakPolarHBondContact O-CB 3.47Å; V2193-I2197 WeakPolarHBondContact O-CG1 3.38Å; V2193-I2197 PolarHBondContact O-N 3.28Å |
| 2194 | V | 40.3 | Very low | 37.2 | Very low | 40 Ų | 40 | 77.9 Ų | 77.9 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.9 | -29 | 158.5 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | L2168 S2190 L2198 | L2168-V2194 HydrophobicContact CD1-CG2 3.81Å; L2168-V2194 HydrophobicContact CD2-CG2 3.74Å; L2168-V2194 HydrophobicContact CG-CG2 4.18Å; S2190-V2194 PolarHBondContact O-N 3.03Å; V2194-L2198 HydrophobicContact CG1-CD1 3.61Å; V2194-L2198 HydrophobicContact CG1-CG 3.89Å; V2194-L2198 WeakPolarHBondContact O-CA 3.31Å; V2194-L2198 WeakPolarHBondContact O-CB 3.39Å; V2194-L2198 VanDerWaalsContact O-CG 3.26Å; V2194-L2198 WeakPolarHBondContact O-CG 3.48Å; V2194-L2198 PolarHBondContact O-N 2.86Å |
| 2195 | G | 38.5 | Very low | 37.9 | Very low | 13 Ų | 13 | 76 Ų | 76 | 13% | 0.134 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H2191 D2192 V2193 L2198 I2199 | H2191-G2195 WeakPolarHBondContact O-CA 3.41Å; H2191-G2195 PolarHBondContact O-N 3.02Å; D2192-G2195 CarbonylContact O-C 2.79Å; V2193-G2195 PolarHBondContact O-N 2.89Å; G2195-L2198 CarbonylContact O-C 3.02Å; G2195-I2199 WeakPolarHBondContact O-CB 3.45Å; G2195-I2199 VanDerWaalsContact O-CD1 3.28Å; G2195-I2199 WeakPolarHBondContact O-CD1 3.16Å; G2195-I2199 WeakPolarHBondContact O-CG1 3.18Å; G2195-I2199 PolarHBondContact O-N 2.84Å |
| 2196 | M | 39.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 74.4 Ų | 74.4 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.2 | -37.9 | 178.7 | -76.8 | -71.3 | -82.6 | 0 | 0 | 112.9 | D2192 V2193 I2199 L2200 | D2192-M2196 WeakPolarHBondContact O-CB 3.15Å; D2192-M2196 WeakPolarHBondContact O-CG 3.43Å; D2192-M2196 PolarHBondContact O-N 2.8Å; V2193-M2196 CarbonylContact O-C 3.37Å; V2193-M2196 PolarHBondContact O-N 3.08Å; V2193-M2196 VanDerWaalsContact O-N 3.1Å; M2196-I2199 CarbonylContact O-C 3.46Å; M2196-I2199 WeakPolarHBondContact O-CA 3.33Å; M2196-I2199 WeakPolarHBondContact O-CB 3.47Å; M2196-I2199 PolarHBondContact O-N 2.68Å; M2196-L2200 PolarHBondContact O-N 3.28Å |
| 2197 | I | 42.9 | Very low | 39.8 | Very low | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.415 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.8 | -39.9 | 174.8 | -65.5 | 172.7 | 0 | 0 | 0 | 110.4 | L2168 V2193 I2199 L2200 A2201 | L2168-I2197 HydrophobicContact CD2-CD1 4.32Å; V2193-I2197 HydrophobicContact CG1-CD1 4.17Å; V2193-I2197 WeakPolarHBondContact O-CB 3.47Å; V2193-I2197 WeakPolarHBondContact O-CG1 3.38Å; V2193-I2197 PolarHBondContact O-N 3.28Å; I2197-I2199 PolarHBondContact O-N 2.84Å; I2197-L2200 PolarHBondContact O-N 3.33Å; I2197-A2201 WeakPolarHBondContact O-CA 3.34Å; I2197-A2201 WeakPolarHBondContact O-CB 3.39Å; I2197-A2201 PolarHBondContact O-N 3.11Å |
| 2198 | L | 42.2 | Very low | 40.3 | Very low | 90 Ų | 90 | 76.7 Ų | 76.7 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.9 | 7.8 | 165.3 | -58.7 | 179.8 | 0 | 0 | 0 | 113 | V2194 G2195 S2202 R2221 | V2194-L2198 HydrophobicContact CG1-CD1 3.61Å; V2194-L2198 HydrophobicContact CG1-CG 3.89Å; V2194-L2198 WeakPolarHBondContact O-CA 3.31Å; V2194-L2198 WeakPolarHBondContact O-CB 3.39Å; V2194-L2198 VanDerWaalsContact O-CG 3.26Å; V2194-L2198 WeakPolarHBondContact O-CG 3.48Å; V2194-L2198 PolarHBondContact O-N 2.86Å; G2195-L2198 CarbonylContact O-C 3.02Å; L2198-S2202 WeakPolarHBondContact O-CB 3.47Å; L2198-S2202 PolarHBondContact O-OG 3.11Å; L2198-R2221 PolarHBondContact O-NH2 2.65Å |
| 2199 | I | 43.3 | Very low | 40.8 | Very low | 37 Ų | 37 | 77.9 Ų | 77.9 | 19% | 0.19 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -100 | -35.4 | 162 | -83.7 | 163.6 | 0 | 0 | 0 | 110.1 | G2195 M2196 I2197 S2202 V2203 R2222 | G2195-I2199 WeakPolarHBondContact O-CB 3.45Å; G2195-I2199 VanDerWaalsContact O-CD1 3.28Å; G2195-I2199 WeakPolarHBondContact O-CD1 3.16Å; G2195-I2199 WeakPolarHBondContact O-CG1 3.18Å; G2195-I2199 PolarHBondContact O-N 2.84Å; M2196-I2199 CarbonylContact O-C 3.46Å; M2196-I2199 WeakPolarHBondContact O-CA 3.33Å; M2196-I2199 WeakPolarHBondContact O-CB 3.47Å; M2196-I2199 PolarHBondContact O-N 2.68Å; I2197-I2199 PolarHBondContact O-N 2.84Å; I2199-S2202 WeakPolarHBondContact CA-OG 3.28Å; I2199-S2202 PolarHBondContact O-OG 2.92Å; I2199-V2203 WeakPolarHBondContact O-CB 3.48Å; I2199-V2203 WeakPolarHBondContact O-CG2 3.37Å; I2199-V2203 PolarHBondContact O-N 3.36Å; I2199-R2222 VanDerWaalsContact CG2-NH2 3.3Å |
| 2200 | L | 43 | Very low | 41.6 | Very low | 116 Ų | 116 | 76.8 Ų | 76.8 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.8 | -54.7 | 170.4 | -77 | 163.3 | 0 | 0 | 0 | 111.1 | M2196 I2197 S2202 V2203 C2204 | M2196-L2200 PolarHBondContact O-N 3.28Å; I2197-L2200 PolarHBondContact O-N 3.33Å; L2200-S2202 VanDerWaalsContact C-N 3.29Å; L2200-S2202 PolarHBondContact O-N 3.2Å; L2200-V2203 CarbonylContact O-C 3.49Å; L2200-V2203 WeakPolarHBondContact O-CA 3.46Å; L2200-V2203 WeakPolarHBondContact O-CB 3.46Å; L2200-V2203 PolarHBondContact O-N 3.48Å; L2200-C2204 PolarHBondContact O-N 2.95Å; L2200-C2204 PolarHBondContact O-SG 3.36Å; L2200-C2204 VanDerWaalsContact O-SG 3.4Å |
| 2201 | A | 45.4 | Very low | 41.7 | Very low | 41 Ų | 41 | 79.6 Ų | 79.6 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -30.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2197 C2204 S2205 | I2197-A2201 WeakPolarHBondContact O-CA 3.34Å; I2197-A2201 WeakPolarHBondContact O-CB 3.39Å; I2197-A2201 PolarHBondContact O-N 3.11Å; A2201-C2204 WeakPolarHBondContact O-CB 3.37Å; A2201-S2205 WeakPolarHBondContact O-CB 3.07Å; A2201-S2205 PolarHBondContact O-N 3.16Å; A2201-S2205 PolarHBondContact O-OG 2.77Å |
| 2202 | S | 41.8 | Very low | 41.5 | Very low | 24 Ų | 24 | 83.7 Ų | 83.7 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -81.1 | -18.5 | 167 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | L2198 I2199 L2200 S2205 V2206 R2221 | L2198-S2202 WeakPolarHBondContact O-CB 3.47Å; L2198-S2202 PolarHBondContact O-OG 3.11Å; I2199-S2202 WeakPolarHBondContact CA-OG 3.28Å; I2199-S2202 PolarHBondContact O-OG 2.92Å; L2200-S2202 VanDerWaalsContact C-N 3.29Å; L2200-S2202 PolarHBondContact O-N 3.2Å; S2202-S2205 CarbonylContact O-C 3.56Å; S2202-S2205 PolarHBondContact O-N 2.96Å; S2202-V2206 WeakPolarHBondContact O-CA 2.88Å; S2202-V2206 WeakPolarHBondContact O-CB 3.01Å; S2202-V2206 WeakPolarHBondContact O-CG2 3.26Å; S2202-V2206 PolarHBondContact O-N 3.07Å; S2202-R2221 PolarHBondContact OG-NH1 2.87Å; S2202-R2221 PolarHBondContact OG-NH2 3.46Å |
| 2203 | V | 49.1 | Very low | 41.2 | Very low | 87 Ų | 87 | 85.8 Ų | 85.8 | 53% | 0.527 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 165.3 | 157.2 | 0 | 0 | 0 | 0 | 109.3 | I2199 L2200 V2206 F2207 | I2199-V2203 WeakPolarHBondContact O-CB 3.48Å; I2199-V2203 WeakPolarHBondContact O-CG2 3.37Å; I2199-V2203 PolarHBondContact O-N 3.36Å; L2200-V2203 CarbonylContact O-C 3.49Å; L2200-V2203 WeakPolarHBondContact O-CA 3.46Å; L2200-V2203 WeakPolarHBondContact O-CB 3.46Å; L2200-V2203 PolarHBondContact O-N 3.48Å; V2203-V2206 PolarHBondContact O-N 2.12Å; V2203-F2207 WeakPolarHBondContact O-CB 3.27Å; V2203-F2207 PolarHBondContact O-N 2.94Å |
| 2204 | C | 47.9 | Very low | 41.4 | Very low | 83 Ų | 83 | 83.9 Ų | 83.9 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 166.9 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | L2200 A2201 V2206 F2207 V2208 | L2200-C2204 PolarHBondContact O-N 2.95Å; L2200-C2204 PolarHBondContact O-SG 3.36Å; L2200-C2204 VanDerWaalsContact O-SG 3.4Å; A2201-C2204 WeakPolarHBondContact O-CB 3.37Å; C2204-V2206 VanDerWaalsContact C-N 3.28Å; C2204-V2206 PolarHBondContact O-N 3.04Å; C2204-F2207 CarbonylContact O-C 3.44Å; C2204-F2207 WeakPolarHBondContact O-CA 3.26Å; C2204-F2207 WeakPolarHBondContact O-CB 3.09Å; C2204-F2207 PolarHBondContact O-N 2.75Å; C2204-F2207 VanDerWaalsContact O-N 3.12Å; C2204-V2208 WeakPolarHBondContact O-CG2 3.4Å; C2204-V2208 PolarHBondContact O-N 3.32Å |
| 2205 | S | 40.5 | Very low | 41 | Very low | 73 Ų | 73 | 89.3 Ų | 89.3 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -20.6 | 177 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | A2201 S2202 V2208 I2209 | A2201-S2205 WeakPolarHBondContact O-CB 3.07Å; A2201-S2205 PolarHBondContact O-N 3.16Å; A2201-S2205 PolarHBondContact O-OG 2.77Å; S2202-S2205 CarbonylContact O-C 3.56Å; S2202-S2205 PolarHBondContact O-N 2.96Å; S2205-V2208 CarbonylContact O-C 2.81Å; S2205-V2208 WeakPolarHBondContact O-CA 3.42Å; S2205-V2208 WeakPolarHBondContact O-CB 3.44Å; S2205-V2208 PolarHBondContact O-N 3.5Å; S2205-I2209 WeakPolarHBondContact O-CG1 3.07Å; S2205-I2209 PolarHBondContact O-N 2.94Å |
| 2206 | V | 42.8 | Very low | 40.6 | Very low | 65 Ų | 65 | 92.8 Ų | 92.8 | 39% | 0.394 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.3 | -34.9 | 168.8 | 165.9 | 0 | 0 | 0 | 0 | 110.4 | S2202 V2203 C2204 V2208 I2209 L2210 | S2202-V2206 WeakPolarHBondContact O-CA 2.88Å; S2202-V2206 WeakPolarHBondContact O-CB 3.01Å; S2202-V2206 WeakPolarHBondContact O-CG2 3.26Å; S2202-V2206 PolarHBondContact O-N 3.07Å; V2203-V2206 PolarHBondContact O-N 2.12Å; C2204-V2206 VanDerWaalsContact C-N 3.28Å; C2204-V2206 PolarHBondContact O-N 3.04Å; V2206-V2208 PolarHBondContact O-N 2.79Å; V2206-I2209 HydrophobicContact CB-CD1 4.26Å; V2206-I2209 HydrophobicContact CG2-CD1 3.67Å; V2206-I2209 WeakPolarHBondContact O-CB 3.14Å; V2206-I2209 PolarHBondContact O-N 3.37Å; V2206-I2209 VanDerWaalsContact O-N 3.11Å; V2206-L2210 HydrophobicContact CG1-CD1 4.44Å; V2206-L2210 WeakPolarHBondContact O-CD1 3.45Å; V2206-L2210 PolarHBondContact O-N 2.94Å |
| 2207 | F | 46 | Very low | 40.5 | Very low | 169 Ų | 169 | 92.5 Ų | 92.5 | 74% | 0.741 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.7 | -31.8 | 164.3 | -143.8 | -108.2 | 0 | 0 | 0 | 110.7 | V2203 C2204 | V2203-F2207 WeakPolarHBondContact O-CB 3.27Å; V2203-F2207 PolarHBondContact O-N 2.94Å; C2204-F2207 CarbonylContact O-C 3.44Å; C2204-F2207 WeakPolarHBondContact O-CA 3.26Å; C2204-F2207 WeakPolarHBondContact O-CB 3.09Å; C2204-F2207 PolarHBondContact O-N 2.75Å; C2204-F2207 VanDerWaalsContact O-N 3.12Å |
| 2208 | V | 36.8 | Very low | 39.9 | Very low | 76 Ų | 76 | 90.4 Ų | 90.4 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.2 | -32.6 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 113.6 | C2204 S2205 V2206 L2210 I2211 R2212 | C2204-V2208 WeakPolarHBondContact O-CG2 3.4Å; C2204-V2208 PolarHBondContact O-N 3.32Å; S2205-V2208 CarbonylContact O-C 2.81Å; S2205-V2208 WeakPolarHBondContact O-CA 3.42Å; S2205-V2208 WeakPolarHBondContact O-CB 3.44Å; S2205-V2208 PolarHBondContact O-N 3.5Å; V2206-V2208 PolarHBondContact O-N 2.79Å; V2208-L2210 PolarHBondContact O-N 3.49Å; V2208-L2210 VanDerWaalsContact O-N 3.16Å; V2208-I2211 CarbonylContact O-C 2.88Å; V2208-I2211 PolarHBondContact O-N 2.77Å; V2208-R2212 HydrophobicContact CG1-CB 3.99Å; V2208-R2212 PolarHBondContact O-N 2.68Å |
| 2209 | I | 42.6 | Very low | 39.6 | Very low | 94 Ų | 94 | 95.3 Ų | 95.3 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -49.6 | -46 | 174.8 | -76.3 | 175.9 | 0 | 0 | 0 | 109.9 | S2205 V2206 I2211 R2212 K2213 I2214 | S2205-I2209 WeakPolarHBondContact O-CG1 3.07Å; S2205-I2209 PolarHBondContact O-N 2.94Å; V2206-I2209 HydrophobicContact CB-CD1 4.26Å; V2206-I2209 HydrophobicContact CG2-CD1 3.67Å; V2206-I2209 WeakPolarHBondContact O-CB 3.14Å; V2206-I2209 PolarHBondContact O-N 3.37Å; V2206-I2209 VanDerWaalsContact O-N 3.11Å; I2209-I2211 VanDerWaalsContact C-N 3.28Å; I2209-I2211 PolarHBondContact O-N 2.76Å; I2209-R2212 PolarHBondContact O-N 2.81Å; I2209-K2213 CarbonylContact O-C 3.36Å; I2209-K2213 WeakPolarHBondContact O-CA 3.19Å; I2209-K2213 PolarHBondContact O-N 3.4Å; I2209-I2214 PolarHBondContact O-N 2.7Å; I2209-I2214 VanDerWaalsContact O-N 3.08Å |
| 2210 | L | 45.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 101.1 Ų | 101.1 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.5 | -2 | -175.7 | -71.7 | 93.3 | 0 | 0 | 0 | 114.5 | V2206 V2208 | V2206-L2210 HydrophobicContact CG1-CD1 4.44Å; V2206-L2210 WeakPolarHBondContact O-CD1 3.45Å; V2206-L2210 PolarHBondContact O-N 2.94Å; V2208-L2210 PolarHBondContact O-N 3.49Å; V2208-L2210 VanDerWaalsContact O-N 3.16Å |
| 2211 | I | 32.5 | Very low | 38.2 | Very low | 121 Ų | 121 | 101.5 Ų | 101.5 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -101.9 | -40.8 | 164.3 | -65 | -177 | 0 | 0 | 0 | 111.8 | V2208 I2209 | V2208-I2211 CarbonylContact O-C 2.88Å; V2208-I2211 PolarHBondContact O-N 2.77Å; I2209-I2211 VanDerWaalsContact C-N 3.28Å; I2209-I2211 PolarHBondContact O-N 2.76Å |
| 2212 | R | 32.5 | Very low | 37.4 | Very low | 172 Ų | 172 | 107.8 Ų | 107.8 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -145.1 | 48.4 | -157.1 | -122.1 | -174.1 | -166.9 | -148.8 | 6 | 115 | V2208 I2209 | V2208-R2212 HydrophobicContact CG1-CB 3.99Å; V2208-R2212 PolarHBondContact O-N 2.68Å; I2209-R2212 PolarHBondContact O-N 2.81Å |
| 2213 | K | 31.5 | Very low | 36.8 | Very low | 116 Ų | 116 | 114 Ų | 114 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | cis | -160.9 | 140.5 | 29.8 | -90.6 | 111.3 | 171.6 | -168.4 | 0 | 110.1 | I2209 R2215 | I2209-K2213 CarbonylContact O-C 3.36Å; I2209-K2213 WeakPolarHBondContact O-CA 3.19Å; I2209-K2213 PolarHBondContact O-N 3.4Å; K2213-R2215 PolarHBondContact O-N 3.31Å | ||
| 2214 | I | 44.8 | Very low | 35.9 | Very low | 37 Ų | 37 | 115.2 Ų | 115.2 | 19% | 0.19 | 57% | 0.568 | C | S | . | * | 28.8 | 90.2 | 108.4 | -56.3 | 160.1 | 0 | 0 | 0 | 113.6 | I2209 R2265 | I2209-I2214 PolarHBondContact O-N 2.7Å; I2209-I2214 VanDerWaalsContact O-N 3.08Å; I2214-R2265 HydrophobicContact CD1-CG 4.24Å | |||
| 2215 | R | 32.7 | Very low | 34.9 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 58% | 0.577 | 57% | 0.569 | S | S | * | * | trans | 63.7 | 120.7 | 168.5 | -45.6 | 176 | -168 | 153.7 | 12.9 | 113 | K2213 I2262 V2263 A2264 | K2213-R2215 PolarHBondContact O-N 3.31Å; R2215-I2262 PolarHBondContact NH1-O 2.68Å; R2215-V2263 VanDerWaalsContact CZ-O 3.28Å; R2215-V2263 PolarHBondContact NH1-O 3.37Å; R2215-V2263 PolarHBondContact NH2-O 2.72Å; R2215-A2264 PolarHBondContact NH2-O 3.33Å | ||
| 2216 | V | 28.9 | Very low | 34.3 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | cis | -141.7 | 162.6 | 35.3 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2217 | C | 37.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | trans | -34.6 | 143.6 | 171 | -49.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2218 | G | 31.1 | Very low | 32.5 | Very low | 37 Ų | 37 | 118.8 Ų | 118.8 | 38% | 0.381 | 58% | 0.582 | S | S | . | * | cis | 93.7 | 138.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2219 | K | 35.8 | Very low | 31.9 | Very low | 193 Ų | 193 | 122.6 Ų | 122.6 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | trans | 83.4 | 90.7 | 175.2 | -54.7 | -178.1 | 178.7 | -177.6 | 0 | 118.3 | ||||
| 2220 | K | 27.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | -158.3 | 71.6 | 129.4 | -95.1 | -156.7 | 176.3 | -177.1 | 0 | 109.2 | K43 | K43-K2220 HydrophobicContact CB-CB 4.41Å; K43-K2220 HydrophobicContact CD-CB 4.05Å; K43-K2220 HydrophobicContact CD-CD 4.26Å; K43-K2220 HydrophobicContact CD-CG 4.1Å; K43-K2220 HydrophobicContact CG-CB 4.47Å; K43-K2220 HydrophobicContact CG-CD 4.19Å | |||
| 2221 | R | 29.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | trans | -114.2 | 149 | 179.3 | -157.5 | -177.6 | -174.3 | -165 | 2.9 | 109.4 | L2198 S2202 | L2198-R2221 PolarHBondContact O-NH2 2.65Å; S2202-R2221 PolarHBondContact OG-NH1 2.87Å; S2202-R2221 PolarHBondContact OG-NH2 3.46Å | ||
| 2222 | R | 28.4 | Very low | 29.7 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 66% | 0.657 | 57% | 0.566 | S | S | * | * | trans | 68 | 95.5 | 175.7 | -57.8 | 179.3 | 176.6 | 167.3 | -3 | 116.4 | I2199 | I2199-R2222 VanDerWaalsContact CG2-NH2 3.3Š| ||
| 2223 | I | 29.3 | Very low | 29.3 | Very low | 154 Ų | 154 | 114.5 Ų | 114.5 | 79% | 0.79 | 56% | 0.561 | S | S | * | * | trans | -132.6 | 127.2 | 141.5 | -70.2 | -176.2 | 0 | 0 | 0 | 105.5 | ||||
| 2224 | L | 30.6 | Very low | 29.1 | Very low | 113 Ų | 113 | 112.2 Ų | 112.2 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | trans | 27.6 | 116.9 | 153.7 | -56.6 | 172.3 | 0 | 0 | 0 | 117.3 | R320 | R320-L2224 VanDerWaalsContact NH1-CD1 3.29Š| ||
| 2225 | K | 26.1 | Very low | 28.3 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | cis | 59.4 | 136.5 | 26.6 | -122.7 | -157.6 | -174.2 | -159.1 | 0 | 115.2 | D2192 | D2192-K2225 WeakPolarHBondContact OD1-CE 3.2Å; D2192-K2225 WeakPolarHBondContact OD2-CE 3.09Å; D2192-K2225 WeakPolarHBondContact OD2-CG 3.37Å | ||
| 2226 | S | 27.3 | Very low | 28.2 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | trans | 74.9 | 154.4 | 173.7 | 78.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2227 | T | 25.6 | Very low | 28.3 | Very low | 95 Ų | 95 | 117.7 Ų | 117.7 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | trans | 54.7 | 83.9 | 160.8 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2228 | E | 24.9 | Very low | 28 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | 58.9 | 140.3 | 65.8 | -43.6 | 152.4 | 122.5 | 0 | 0 | 113 | S2230 | E2228-S2230 VanDerWaalsContact CB-N 3.25Å; E2228-S2230 PolarHBondContact O-N 3.23Å; E2228-S2230 WeakPolarHBondContact OE2-CB 3.42Å; E2228-S2230 PolarHBondContact OE2-OG 2.71Å | |||
| 2229 | Y | 24.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -75.4 | 57.5 | 145.3 | -114.4 | -84.1 | 0 | 0 | 0 | 107.9 | T333 M2231 | T333-Y2229 PolarHBondContact OG1-OH 3.17Å; Y2229-M2231 PolarHBondContact O-N 2.71Å |
| 2230 | S | 25.7 | Very low | 27.5 | Very low | 48 Ų | 48 | 117.9 Ų | 117.9 | 34% | 0.336 | 60% | 0.595 | S | S | . | * | trans | -67.7 | 135.7 | 175.6 | 37.5 | 0 | 0 | 0 | 0 | 108.5 | E2228 K2232 | E2228-S2230 VanDerWaalsContact CB-N 3.25Å; E2228-S2230 PolarHBondContact O-N 3.23Å; E2228-S2230 WeakPolarHBondContact OE2-CB 3.42Å; E2228-S2230 PolarHBondContact OE2-OG 2.71Å; S2230-K2232 PolarHBondContact O-N 3.06Å | ||
| 2231 | M | 24.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 47% | 0.473 | 60% | 0.596 | S | S | . | * | trans | -53.2 | 92.4 | 160.4 | 173.7 | 162.9 | 145.9 | 0 | 0 | 107.8 | Y2229 V2233 | Y2229-M2231 PolarHBondContact O-N 2.71Å; M2231-V2233 HydrophobicContact CE-CG2 4.23Å; M2231-V2233 HydrophobicContact CG-CG2 4.03Å; M2231-V2233 PolarHBondContact O-N 3.47Å | ||
| 2232 | K | 23.5 | Very low | 27.5 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 45% | 0.452 | 60% | 0.604 | S | S | . | * | trans | -53.7 | 97.5 | -174.8 | -131.5 | -175 | 176.7 | -168.5 | 0 | 108.5 | N241 S243 S2230 | N241-K2232 VanDerWaalsContact CG-O 3.26Å; N241-K2232 PolarHBondContact ND2-O 2.89Å; N241-K2232 PolarHBondContact O-NZ 2.79Å; N241-K2232 VanDerWaalsContact O-NZ 3.13Å; N241-K2232 WeakPolarHBondContact OD1-CA 3.4Å; N241-K2232 VanDerWaalsContact OD1-CB 3.27Å; N241-K2232 WeakPolarHBondContact OD1-CB 3.09Å; N241-K2232 VanDerWaalsContact OD1-CG 3.27Å; N241-K2232 WeakPolarHBondContact OD1-CG 3.28Å; N241-K2232 PolarHBondContact OD1-O 3.42Å; S243-K2232 PolarHBondContact OG-NZ 3.37Å; S243-K2232 VanDerWaalsContact OG-NZ 3.07Å; S2230-K2232 PolarHBondContact O-N 3.06Å | ||
| 2233 | V | 25.6 | Very low | 27.5 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | trans | -141.9 | 114.1 | 177 | 180 | 0 | 0 | 0 | 0 | 108.6 | N241 M2231 | N241-V2233 PolarHBondContact OD1-N 3.16Å; M2231-V2233 HydrophobicContact CE-CG2 4.23Å; M2231-V2233 HydrophobicContact CG-CG2 4.03Å; M2231-V2233 PolarHBondContact O-N 3.47Å | ||
| 2234 | T | 27.8 | Very low | 27.4 | Very low | 68 Ų | 68 | 113.5 Ų | 113.5 | 42% | 0.417 | 60% | 0.603 | S | S | . | * | trans | -22.4 | 130.3 | 160.4 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2235 | R | 26.8 | Very low | 27.3 | Very low | 188 Ų | 188 | 113.9 Ų | 113.9 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | -156.9 | 164.1 | 57.7 | -60.9 | -152.8 | 77.8 | 78.7 | 12.6 | 109.5 | |||||
| 2236 | D | 30.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | cis | -162.2 | -136.9 | -9.3 | -105.5 | 15.9 | 0 | 0 | 0 | 106.9 | ||||
| 2237 | D | 30.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | -157.8 | 172.4 | -96.9 | -155.3 | -8.8 | 0 | 0 | 0 | 109.4 | |||||
| 2238 | S | 31.5 | Very low | 27.4 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | trans | 75.6 | 157.7 | 170.7 | 81.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2239 | V | 27.8 | Very low | 27.5 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | -168.5 | 177 | -54.7 | 127.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2240 | C | 28.5 | Very low | 28 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | 82.7 | 127.7 | 176.8 | -67.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2241 | E | 28 | Very low | 28.3 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | cis | 95.8 | 146.2 | 39.6 | -73.7 | -175 | 154 | 0 | 0 | 112.9 | ||||
| 2242 | V | 28.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | cis | -159.9 | 156.7 | 5.8 | 102.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2243 | E | 29 | Very low | 28.9 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 58.8 | 162 | 154.8 | -75.4 | -177 | -171.1 | 0 | 0 | 123.4 | ||||
| 2244 | S | 27.3 | Very low | 29.5 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | cis | -164.1 | 168.3 | -18.3 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2245 | V | 28.5 | Very low | 29.6 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 64.2 | 144.6 | 148.2 | 164.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2246 | Q | 27.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | cis | -167.7 | 158.5 | -21.8 | -100.3 | -176.7 | 21.8 | 0 | 0 | 109.8 | ||||
| 2247 | N | 26.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 51.8 | 152.9 | 142.3 | -65.4 | -30.1 | 0 | 0 | 0 | 122.2 | ||||
| 2248 | A | 27.7 | Very low | 29.5 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | cis | -162.2 | 151.6 | -12.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2249 | R | 27.4 | Very low | 29.5 | Very low | 237 Ų | 237 | 135.9 Ų | 135.9 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | 56.9 | 158.3 | 111.8 | -63.5 | -173.6 | -178.9 | -165.5 | 2.1 | 119.3 | |||||
| 2250 | P | 35 | Very low | 29.6 | Very low | 95 Ų | 95 | 138 Ų | 138 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -149.4 | 179.9 | -38.5 | 44.2 | -26.6 | 0 | 0 | 0 | 117.1 | ||||
| 2251 | H | 31.3 | Very low | 29.9 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | 58.4 | 142.9 | 152.8 | -62.4 | -55.3 | 0 | 0 | 0 | 123.1 | ||||
| 2252 | G | 30.5 | Very low | 30.2 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -179.2 | -3.4 | 176 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 2253 | Q | 31.1 | Very low | 30.4 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | 66.3 | -178.6 | 164.6 | -112.6 | -179.9 | -5.3 | 0 | 0 | 118.4 | ||||
| 2254 | P | 37 | Very low | 30.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | -130.5 | 172.5 | -124.1 | 43.8 | -26.5 | 0 | 0 | 0 | 120.7 | |||||
| 2255 | S | 29.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | 100.8 | 137.4 | 151.5 | 80.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2256 | A | 30.3 | Very low | 31.8 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 67.6 | 115.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 2257 | W | 28 | Very low | 32.2 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | trans | 75.1 | 137.9 | 145.9 | -71.7 | 54 | 0 | 0 | 0 | 122.9 | ||||
| 2258 | K | 28.8 | Very low | 32.4 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | 74.9 | 104.3 | 156.2 | -70 | 177.7 | 175.6 | 177.5 | 0 | 124.3 | ||||
| 2259 | A | 29.8 | Very low | 32.5 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 45.4 | 121.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 2260 | K | 31.1 | Very low | 32.4 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 59.9 | 161.2 | 142 | -71.2 | -168.4 | 179.2 | -170.2 | 0 | 120 | ||||
| 2261 | S | 34.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | -173 | -157.4 | -23.7 | -173.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 2262 | I | 33.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 68% | 0.677 | 73% | 0.725 | S | S | * | * | trans | 91.7 | 108.4 | 155.3 | -66.3 | 176.8 | 0 | 0 | 0 | 122.8 | R2215 | R2215-I2262 PolarHBondContact NH1-O 2.68Š| ||
| 2263 | V | 34.3 | Very low | 31.1 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | 67.6 | 152.3 | 128.8 | -177.2 | 0 | 0 | 0 | 0 | 126.4 | R2215 | R2215-V2263 VanDerWaalsContact CZ-O 3.28Å; R2215-V2263 PolarHBondContact NH1-O 3.37Å; R2215-V2263 PolarHBondContact NH2-O 2.72Å | |||
| 2264 | A | 38.4 | Very low | 31 | Very low | 51 Ų | 51 | 137.7 Ų | 137.7 | 42% | 0.421 | 72% | 0.723 | S | S | . | * | trans | 82.9 | 150.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | R2215 | R2215-A2264 PolarHBondContact NH2-O 3.33Š| ||
| 2265 | R | 39.4 | Very low | 30.8 | Very low | 196 Ų | 196 | 138 Ų | 138 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | cis | -175.6 | 154.9 | -19.9 | -113.2 | 173.9 | 172.4 | 168.1 | -2.1 | 115 | I2214 | I2214-R2265 HydrophobicContact CD1-CG 4.24Š| ||
| 2266 | K | 36.4 | Very low | 30.9 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | trans | 80.2 | 128.7 | 140.2 | -80.7 | -178.7 | 175 | -179.9 | 0 | 126.4 | ||||
| 2267 | R | 34.6 | Very low | 31 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | 81.2 | 133.6 | 129.5 | -76.1 | 179.6 | 175 | 176.8 | -6.6 | 124.5 | |||||
| 2268 | V | 31.1 | Very low | 31.1 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | trans | 76.2 | 156.3 | 139.1 | 158.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2269 | L | 30.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | cis | -178.7 | 161.2 | -48.6 | -125.4 | 177.6 | 0 | 0 | 0 | 110.6 | ||||
| 2270 | K | 24.1 | Very low | 30.9 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | 66.7 | 164.7 | 178.6 | -60 | 176.2 | 162.9 | -155.2 | 0 | 114.1 | ||||
| 2271 | H | 23 | Very low | 30.7 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | cis | -152 | 135 | 1.9 | -127.8 | -61.1 | 0 | 0 | 0 | 111.2 | ||||
| 2272 | T | 22.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | 34.8 | 145.5 | 140 | 51.4 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 2273 | M | 24.7 | Very low | 30.3 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 82% | 0.823 | 71% | 0.711 | S | S | * | * | trans | 73.8 | 148.3 | 155.6 | -65.5 | 155.2 | 88.5 | 0 | 0 | 115.8 | ||||
| 2274 | S | 29.6 | Very low | 30 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | cis | -120.2 | 175.6 | 24.7 | -160.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 2275 | L | 32.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | trans | -76.7 | 155.7 | -166.4 | -77.7 | 87.7 | 0 | 0 | 0 | 117.1 | ||||
| 2276 | D | 31.9 | Very low | 29.2 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | 66.3 | 148.2 | 143.9 | -51.5 | -14.3 | 0 | 0 | 0 | 121.9 | ||||
| 2277 | G | 31.5 | Very low | 28.9 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | 161.3 | 23 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2278 | E | 29.4 | Very low | 28.6 | Very low | 171 Ų | 171 | 116.6 Ų | 116.6 | 80% | 0.799 | 64% | 0.639 | S | S | * | * | trans | 11.4 | 141.4 | 156.4 | -83.9 | -174.5 | 140.2 | 0 | 0 | 124.7 | ||||
| 2279 | L | 28.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 110.4 Ų | 110.4 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | trans | 81.5 | 131.7 | 135.6 | -66.1 | 165.6 | 0 | 0 | 0 | 123.6 | ||||
| 2280 | D | 26.3 | Very low | 28.4 | Very low | 128 Ų | 128 | 103.5 Ų | 103.5 | 68% | 0.684 | 57% | 0.566 | S | S | * | * | trans | 74.5 | 135 | 132.7 | -62.2 | -6.6 | 0 | 0 | 0 | 126.3 | ||||
| 2281 | D | 26.4 | Very low | 28.5 | Very low | 160 Ų | 160 | 95.2 Ų | 95.2 | 86% | 0.856 | 53% | 0.53 | S | S | * | . | trans | 49.1 | 131.1 | 139.1 | -73.7 | -3.3 | 0 | 0 | 0 | 123.7 | ||||
| 2282 | G | 25.8 | Very low | 28.8 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 77% | 0.773 | 50% | 0.499 | S | S | * | . | trans | 170 | 127.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2283 | P | 34.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 84.9 Ų | 84.9 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | trans | -134.4 | 179.5 | -177.5 | 42 | -27.2 | 0 | 0 | 0 | 116.8 | ||||
| 2284 | R | 27.8 | Very low | 29.1 | Very low | 199 Ų | 199 | 83.8 Ų | 83.8 | 75% | 0.751 | 46% | 0.462 | S | S | * | . | trans | 92.7 | 145.9 | 150.9 | -65.1 | 167.7 | 173.1 | -168.1 | 2.7 | 122.2 | ||||
| 2285 | H | 31.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 81.4 Ų | 81.4 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | trans | 86.4 | 110.9 | 143.1 | -68 | -22 | 0 | 0 | 0 | 119.1 | ||||
| 2286 | L | 30.5 | Very low | 28.9 | Very low | 44 Ų | 44 | 81.3 Ų | 81.3 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | 81.9 | 174.7 | 86.4 | -72.8 | 172.3 | 0 | 0 | 0 | 114.7 | K2041 D2056 E2177 | K2041-L2286 PolarHBondContact NZ-O 3.33Å; D2056-L2286 HydrophobicContact CB-CB 3.6Å; D2056-L2286 HydrophobicContact CB-CD1 3.59Å; D2056-L2286 HydrophobicContact CB-CG 4.05Å; D2056-L2286 CarbonylContact O-C 3.27Å; D2056-L2286 WeakPolarHBondContact O-CB 3.38Å; D2056-L2286 WeakPolarHBondContact O-CD2 3.03Å; E2177-L2286 VanDerWaalsContact OE1-CA 3.26Å; E2177-L2286 WeakPolarHBondContact OE1-CA 3.38Å; E2177-L2286 PolarHBondContact OE1-N 2.82Å | |||
| 2287 | A | 30.1 | Very low | 28.6 | Very low | 4 Ų | 4 | 80.3 Ų | 80.3 | 3% | 0.033 | 45% | 0.454 | C | S | . | . | trans | -149.7 | -143.1 | -146.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | K2041 D2056 A2057 R2059 | K2041-A2287 HydrophobicContact CB-CB 3.42Å; K2041-A2287 VanDerWaalsContact CB-CB 3.42Å; K2041-A2287 HydrophobicContact CD-CB 3.36Å; K2041-A2287 HydrophobicContact CG-CB 3.39Å; D2056-A2287 PolarHBondContact O-N 2.8Å; A2057-A2287 HydrophobicContact CB-CB 4.35Å; R2059-A2287 PolarHBondContact NH1-O 2.8Å | ||
| 2288 | R | 28.6 | Very low | 28.4 | Very low | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.008 | 45% | 0.454 | C | S | . | . | trans | 136.3 | 145.4 | 138.3 | -162.2 | 52.4 | 30.6 | 97.3 | -6.2 | 117.8 | D2039 T2054 S2055 A2057 L2058 R2059 L2104 | D2039-R2288 WeakPolarHBondContact CB-O 3.35Å; D2039-R2288 PolarHBondContact N-O 3.45Å; D2039-R2288 CarbonylContact O-C 3.57Å; D2039-R2288 WeakPolarHBondContact O-CA 3.28Å; D2039-R2288 PolarHBondContact O-N 3.48Å; D2039-R2288 VanDerWaalsContact O-N 3.12Å; T2054-R2288 VanDerWaalsContact N-NH1 3.11Å; T2054-R2288 WeakPolarHBondContact O-CD 3.45Å; T2054-R2288 PolarHBondContact O-NE 3.09Å; T2054-R2288 PolarHBondContact O-NH1 3.25Å; T2054-R2288 PolarHBondContact OG1-NH1 2.83Å; S2055-R2288 VanDerWaalsContact O-CG 3.26Å; S2055-R2288 WeakPolarHBondContact O-CG 3.43Å; A2057-R2288 VanDerWaalsContact C-CD 3.41Å; A2057-R2288 VanDerWaalsContact CA-CD 3.48Å; A2057-R2288 WeakPolarHBondContact O-CA 3.27Å; L2058-R2288 HydrophobicContact CB-CG 4.11Å; L2058-R2288 VanDerWaalsContact CG-NE 3.28Å; L2058-R2288 WeakPolarHBondContact O-CD 3.24Å; R2059-R2288 CarbonylContact C-O 3.6Å; R2059-R2288 VanDerWaalsContact CA-C 3.5Å; R2059-R2288 HydrophobicContact CB-CB 3.2Å; R2059-R2288 HydrophobicContact CB-CG 3.5Å; R2059-R2288 VanDerWaalsContact CB-CG 3.5Å; R2059-R2288 HydrophobicContact CG-CB 4.5Å; R2059-R2288 PolarHBondContact N-O 3Å; R2059-R2288 PolarHBondContact NE-O 2.91Å; R2059-R2288 PolarHBondContact NH2-O 2.91Å; R2059-R2288 VanDerWaalsContact NH2-O 3.14Å; R2059-R2288 CarbonylContact O-C 3.58Å; L2104-R2288 HydrophobicContact CD2-CG 4.27Å | ||
| 2289 | V | 28.8 | Very low | 28.3 | Very low | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.006 | 45% | 0.446 | C | S | . | . | trans | -69.1 | 146.9 | 170.8 | 90.1 | 0 | 0 | 0 | 0 | 129.7 | V2038 D2039 Q2040 L2058 R2059 L2060 F2071 F2129 | V2038-V2289 HydrophobicContact CB-CB 4.15Å; V2038-V2289 HydrophobicContact CB-CG2 4.46Å; V2038-V2289 HydrophobicContact CG1-CB 3.65Å; V2038-V2289 HydrophobicContact CG1-CG2 3.45Å; V2038-V2289 VanDerWaalsContact CG1-CG2 3.45Å; V2038-V2289 HydrophobicContact CG2-CB 3.72Å; V2038-V2289 HydrophobicContact CG2-CG2 4.34Å; D2039-V2289 PolarHBondContact O-N 3.12Å; D2039-V2289 VanDerWaalsContact O-N 3.13Å; Q2040-V2289 HydrophobicContact CB-CG2 4.18Å; Q2040-V2289 HydrophobicContact CG-CG2 3.7Å; L2058-V2289 VanDerWaalsContact C-CG1 3.43Å; L2058-V2289 CarbonylContact C-O 3.56Å; L2058-V2289 VanDerWaalsContact C-O 3.23Å; L2058-V2289 HydrophobicContact CB-CB 4.23Å; L2058-V2289 HydrophobicContact CB-CG1 3.45Å; L2058-V2289 VanDerWaalsContact CB-CG1 3.45Å; L2058-V2289 HydrophobicContact CB-CG2 4.02Å; L2058-V2289 HydrophobicContact CD2-CG1 4.37Å; L2058-V2289 HydrophobicContact CD2-CG2 3.58Å; L2058-V2289 HydrophobicContact CG-CG1 4.41Å; L2058-V2289 HydrophobicContact CG-CG2 4.36Å; L2058-V2289 WeakPolarHBondContact O-CG1 3.3Å; R2059-V2289 CarbonylContact C-O 3.49Å; R2059-V2289 VanDerWaalsContact CA-O 3.24Å; R2059-V2289 WeakPolarHBondContact CA-O 3.27Å; R2059-V2289 PolarHBondContact N-O 2.87Å; R2059-V2289 VanDerWaalsContact N-O 3.08Å; R2059-V2289 CarbonylContact O-C 3.52Å; R2059-V2289 WeakPolarHBondContact O-CA 3.37Å; R2059-V2289 PolarHBondContact O-N 3.37Å; R2059-V2289 VanDerWaalsContact O-N 3.07Å; L2060-V2289 PolarHBondContact N-O 3.02Å; F2071-V2289 HydrophobicContact CE1-CG1 4.41Å; F2129-V2289 HydrophobicContact CZ-CB 4.45Å; F2129-V2289 HydrophobicContact CZ-CG1 4.3Å; F2129-V2289 HydrophobicContact CZ-CG2 4.15Å | ||
| 2290 | N | 27.1 | Very low | 28.2 | Very low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 46% | 0.46 | C | S | . | . | trans | 102.5 | 159.2 | 130.2 | -81.6 | -28.2 | 0 | 0 | 0 | 125.2 | P2036 A2037 V2038 R2059 L2060 L2064 F2071 F2129 L2131 | P2036-N2290 WeakPolarHBondContact CB-OD1 3.45Å; A2037-N2290 CarbonylContact O-C 3.47Å; A2037-N2290 WeakPolarHBondContact O-CA 3.34Å; A2037-N2290 PolarHBondContact O-N 3.37Å; A2037-N2290 VanDerWaalsContact O-N 3.09Å; V2038-N2290 HydrophobicContact CG2-CB 4.06Å; V2038-N2290 WeakPolarHBondContact CG2-OD1 3.28Å; R2059-N2290 PolarHBondContact O-N 3.48Å; L2060-N2290 WeakPolarHBondContact CA-O 3.34Å; L2060-N2290 VanDerWaalsContact CB-O 3.26Å; L2060-N2290 WeakPolarHBondContact CB-O 3.26Å; L2060-N2290 WeakPolarHBondContact CD2-O 3.25Å; L2064-N2290 WeakPolarHBondContact CB-O 3.31Å; L2064-N2290 WeakPolarHBondContact CD1-O 3.38Å; F2071-N2290 HydrophobicContact CD1-CB 4.16Å; F2071-N2290 WeakPolarHBondContact CD1-ND2 3.34Å; F2071-N2290 HydrophobicContact CE1-CB 3.3Å; F2071-N2290 WeakPolarHBondContact CE1-ND2 3.4Å; F2071-N2290 HydrophobicContact CZ-CB 4.07Å; F2129-N2290 WeakPolarHBondContact CE2-ND2 3.3Å; F2129-N2290 WeakPolarHBondContact CE2-OD1 3.3Å; F2129-N2290 WeakPolarHBondContact CZ-ND2 3.44Å; L2131-N2290 HydrophobicContact CD1-CB 3.69Å; L2131-N2290 HydrophobicContact CD2-CB 3.85Å; L2131-N2290 VanDerWaalsContact CD2-OD1 3.22Å; L2131-N2290 WeakPolarHBondContact CD2-OD1 3.17Å; L2131-N2290 HydrophobicContact CG-CB 4.37Å | ||
| 2291 | C | 27.6 | Very low | 28.3 | Very low | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 46% | 0.459 | C | S | . | . | trans | 129.8 | 113.6 | 136.6 | -74.7 | 0 | 0 | 0 | 0 | 127.2 | L2060 L2064 A2069 F2071 L2131 | L2060-C2291 HydrophobicContact CD2-CB 4.06Å; L2064-C2291 WeakPolarHBondContact CA-O 3.46Å; L2064-C2291 HydrophobicContact CB-CB 3.86Å; L2064-C2291 WeakPolarHBondContact CB-O 3.23Å; L2064-C2291 WeakPolarHBondContact CD2-O 3.36Å; L2064-C2291 WeakPolarHBondContact CG-O 3.29Å; A2069-C2291 HydrophobicContact CB-CB 3.84Å; A2069-C2291 WeakPolarHBondContact CB-SG 3.36Å; F2071-C2291 WeakPolarHBondContact CE1-SG 3.4Å; F2071-C2291 VanDerWaalsContact CZ-SG 3.59Å; L2131-C2291 HydrophobicContact CD1-CB 4.37Å | ||
| 2292 | H | 28.4 | Very low | 28.5 | Very low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | 144.2 | 0 | 138.8 | -54.9 | -135.6 | 0 | 0 | 0 | 127.5 | R2067 S2068 A2069 V2070 A2133 D2134 R2135 L2136 | R2067-H2292 HydrophobicContact CB-CB 3.49Å; R2067-H2292 VanDerWaalsContact CB-CB 3.49Å; R2067-H2292 HydrophobicContact CG-CB 4.4Å; S2068-H2292 PolarHBondContact N-ND1 2.69Å; S2068-H2292 PolarHBondContact O-CE1 2.84Å; S2068-H2292 PolarHBondContact O-ND1 2.89Å; A2069-H2292 VanDerWaalsContact CB-CE1 3.49Å; A2069-H2292 WeakPolarHBondContact CB-CE1 3.42Å; A2069-H2292 WeakPolarHBondContact CB-NE2 3.46Å; A2069-H2292 PolarHBondContact N-ND1 2.79Å; V2070-H2292 PolarHBondContact N-CE1 3.25Å; V2070-H2292 PolarHBondContact N-NE2 2.94Å; V2070-H2292 PolarHBondContact O-NE2 3.38Å; A2133-H2292 VanDerWaalsContact C-CD2 3.43Å; A2133-H2292 VanDerWaalsContact C-CE1 3.4Å; A2133-H2292 VanDerWaalsContact CA-CB 3.5Å; A2133-H2292 WeakPolarHBondContact CA-CD2 3.45Å; A2133-H2292 HydrophobicContact CB-CB 4.23Å; A2133-H2292 PolarHBondContact O-CE1 3.3Å; A2133-H2292 PolarHBondContact O-ND1 3.35Å; A2133-H2292 PolarHBondContact O-NE2 2.8Å; D2134-H2292 CarbonylContact C-O 3.55Å; D2134-H2292 HydrophobicContact CB-CB 4.14Å; D2134-H2292 PolarHBondContact N-ND1 3.19Å; D2134-H2292 VanDerWaalsContact N-ND1 3.17Å; D2134-H2292 CarbonylContact O-C 3.59Å; D2134-H2292 WeakPolarHBondContact O-CA 3.46Å; R2135-H2292 CarbonylContact C-O 3.42Å; R2135-H2292 PolarHBondContact N-O 3.06Å; L2136-H2292 WeakPolarHBondContact CA-O 3.46Å; L2136-H2292 WeakPolarHBondContact CB-O 3.25Å; L2136-H2292 WeakPolarHBondContact CG-O 3.17Å; L2136-H2292 PolarHBondContact N-O 3.31Å | ||
| 2293 | M | 29 | Very low | 28.8 | Very low | 24 Ų | 24 | 82.9 Ų | 82.9 | 12% | 0.118 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | 0 | -165.9 | 0 | -99.8 | 167.7 | -148.5 | 0 | 0 | 106.1 | V2070 T2132 A2133 D2134 R2135 L2136 | V2070-M2293 HydrophobicContact CB-CE 4.48Å; T2132-M2293 HydrophobicContact CG2-CE 3.79Å; T2132-M2293 HydrophobicContact CG2-CG 3.91Å; T2132-M2293 HydrophobicContact CG2-SD 4.48Å; T2132-M2293 WeakPolarHBondContact O-CA 3.47Å; T2132-M2293 VanDerWaalsContact O-CB 3.25Å; T2132-M2293 WeakPolarHBondContact O-CB 3.48Å; T2132-M2293 WeakPolarHBondContact O-CG 3.12Å; T2132-M2293 VanDerWaalsContact OG1-CE 3.23Å; T2132-M2293 WeakPolarHBondContact OG1-CE 3.47Å; A2133-M2293 VanDerWaalsContact CA-CG 3.45Å; A2133-M2293 HydrophobicContact CB-CB 4.02Å; A2133-M2293 HydrophobicContact CB-CG 4.35Å; A2133-M2293 VanDerWaalsContact N-CG 3.31Å; A2133-M2293 WeakPolarHBondContact O-CB 3.41Å; A2133-M2293 VanDerWaalsContact O-CE 3.26Å; A2133-M2293 WeakPolarHBondContact O-CE 3.43Å; A2133-M2293 WeakPolarHBondContact O-CG 3.19Å; D2134-M2293 CarbonylContact C-O 3.53Å; D2134-M2293 HydrophobicContact CB-CB 4.48Å; R2135-M2293 CarbonylContact C-O 3.6Å; R2135-M2293 VanDerWaalsContact C-O 3.26Å; R2135-M2293 WeakPolarHBondContact CA-O 3.46Å; R2135-M2293 VanDerWaalsContact N-C 3.33Å; R2135-M2293 PolarHBondContact N-O 3.39Å; L2136-M2293 PolarHBondContact N-O 2.9Å; L2136-M2293 CarbonylContact O-C 3.03Å; L2136-M2293 WeakPolarHBondContact O-CA 2.82Å; L2136-M2293 PolarHBondContact O-N 2.55Å | |
| 2294 | R | 25.8 | Very low | 28.5 | Very low | 144 Ų | 144 | 85.8 Ų | 85.8 | 54% | 0.543 | 46% | 0.458 | S | S | . | . | 54.6 | 123.8 | 123.8 | -79.6 | 175.5 | -173 | 151.1 | 7.1 | 118.8 | D2134 R2135 | D2134-R2294 VanDerWaalsContact OD1-CB 3.23Å; D2134-R2294 WeakPolarHBondContact OD1-CB 3.4Å; D2134-R2294 WeakPolarHBondContact OD1-CD 3.2Å; D2134-R2294 IonicContact OD2-CZ 3.06Å; D2134-R2294 IonicContact OD2-NH1 3.26Å; D2134-R2294 PolarHBondContact OD2-NH1 3.36Å; R2135-R2294 WeakPolarHBondContact CG-O 3.45Å; R2135-R2294 PolarHBondContact N-O 3.12Å | |||
| 2295 | G | 29.9 | Very low | 28.8 | Very low | 66 Ų | 66 | 84.7 Ų | 84.7 | 68% | 0.68 | 46% | 0.459 | S | S | * | . | trans | -152.3 | -22.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2296 | V | 27.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 82.7 Ų | 82.7 | 70% | 0.697 | 46% | 0.463 | S | S | * | . | trans | 72.6 | 117.7 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2297 | N | 26.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 86.3 Ų | 86.3 | 71% | 0.706 | 49% | 0.487 | S | S | * | . | trans | 85.1 | 127.2 | 145.7 | -73.1 | 4.8 | 0 | 0 | 0 | 125.6 | ||||
| 2298 | N | 26.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 95.8 Ų | 95.8 | 80% | 0.797 | 52% | 0.523 | S | S | * | . | trans | 79.7 | 116.4 | 131.4 | -62 | -2.5 | 0 | 0 | 0 | 123.7 | ||||
| 2299 | G | 26.5 | Very low | 28.7 | Very low | 61 Ų | 61 | 103.6 Ų | 103.6 | 63% | 0.629 | 56% | 0.56 | S | S | * | * | 133.1 | 116.3 | 108.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 2300 | F | 28.2 | Very low | 28.9 | Very low | 222 Ų | 222 | 108.2 Ų | 108.2 | 97% | 0.974 | 59% | 0.59 | S | S | * | * | trans | 63.2 | 155.2 | 161.3 | -53.3 | -87.5 | 0 | 0 | 0 | 117.1 | ||||
| 2301 | G | 28.4 | Very low | 29 | Very low | 65 Ų | 65 | 114.1 Ų | 114.1 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | cis | 156.5 | 133.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2302 | L | 29.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | 165.2 | 162.6 | 84.6 | -97.6 | 164.2 | 0 | 0 | 0 | 111 | |||||
| 2303 | I | 32.4 | Very low | 29 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | 67.2 | 120 | 155.3 | -71 | 159.3 | 0 | 0 | 0 | 115.5 | ||||
| 2304 | K | 28.1 | Very low | 29 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | cis | -161.1 | 178.6 | 6.2 | -115.1 | -179.2 | 177.1 | -175.8 | 0 | 108.7 | ||||
| 2305 | F | 33.2 | Very low | 29 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 77% | 0.772 | 73% | 0.734 | S | S | * | * | cis | -135 | -95.2 | 8 | -148.1 | -23.2 | 0 | 0 | 0 | 115.2 | ||||
| 2306 | A | 32.1 | Very low | 28.8 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -165.1 | -178.4 | -161.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2307 | T | 29.1 | Very low | 29 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -157.6 | 163.2 | 17.6 | -30.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2308 | Y | 28.7 | Very low | 29 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 65.2 | 115.5 | 177.2 | -72 | -80.9 | 0 | 0 | 0 | 115.4 | ||||
| 2309 | E | 28.7 | Very low | 29.2 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | 85.4 | 147.6 | 30 | -58.9 | -157.7 | 145.6 | 0 | 0 | 115.8 | ||||
| 2310 | P | 34 | Very low | 29.4 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | -144.8 | -172.7 | -51.4 | 40.2 | -22.3 | 0 | 0 | 0 | 115 | |||||
| 2311 | N | 29.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | trans | 89.8 | 120.9 | 148.1 | -79.6 | -42.4 | 0 | 0 | 0 | 124.3 | ||||
| 2312 | R | 28.9 | Very low | 29.4 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | 82.2 | 93.5 | 125.2 | -70.9 | 175.8 | -178.1 | -167.1 | -2.1 | 123.9 | |||||
| 2313 | S | 26.2 | Very low | 29.3 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | 58.9 | 149.7 | 103.8 | 75.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 2314 | R | 28.9 | Very low | 29.3 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 82.7 | 146.9 | 168.8 | -61.1 | 177.8 | 176.8 | -169.4 | -2.3 | 113.5 | ||||
| 2315 | N | 26.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | 161.2 | 142.3 | -17.6 | -110.7 | 15.4 | 0 | 0 | 0 | 102.9 | ||||
| 2316 | T | 26.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | trans | 62.4 | 144.4 | 157.7 | 54.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2317 | T | 30.3 | Very low | 29.1 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | cis | -161.9 | 157.2 | 3.3 | 3.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 2318 | L | 26.5 | Very low | 29.1 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -58.1 | 164.5 | 159.6 | -78.4 | 158.7 | 0 | 0 | 0 | 111.6 | ||||
| 2319 | P | 32.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 150 Ų | 150 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | cis | -159.9 | 175.7 | 41.5 | 45.2 | -23.1 | 0 | 0 | 0 | 121.7 | ||||
| 2320 | R | 28.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 64% | 0.638 | 73% | 0.731 | S | S | * | * | trans | 82 | 127.6 | 133.3 | -92.5 | 179.3 | 158.5 | 156.6 | -4.2 | 125.9 | ||||
| 2321 | E | 26.9 | Very low | 29.2 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 40% | 0.402 | 74% | 0.735 | S | S | . | * | 65 | 118.7 | 129 | -74.2 | 160.2 | -163.9 | 0 | 0 | 122.8 | M2341 | E2321-M2341 HydrophobicContact CG-CE 3.71Å; E2321-M2341 HydrophobicContact CG-SD 4.45Å | |||
| 2322 | F | 31.1 | Very low | 29.3 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 95% | 0.947 | 74% | 0.741 | S | S | * | * | -157.4 | 161.2 | 125.9 | -106.5 | -70.4 | 0 | 0 | 0 | 110.9 | |||||
| 2323 | S | 26.7 | Very low | 29.4 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -151.9 | 152.4 | -170.5 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2324 | Y | 32.2 | Very low | 29.7 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | trans | -140.3 | 157 | 161 | -98.3 | -82.3 | 0 | 0 | 0 | 112.2 | ||||
| 2325 | D | 27.1 | Very low | 29.8 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 49% | 0.487 | 73% | 0.725 | S | S | . | * | trans | -138.9 | 131.9 | -162.7 | 166.1 | 29.1 | 0 | 0 | 0 | 110.5 | R2327 | D2325-R2327 VanDerWaalsContact OD1-CG 3.24Å; D2325-R2327 WeakPolarHBondContact OD1-CG 3.31Å; D2325-R2327 IonicContact OD1-NE 3.56Å; D2325-R2327 IonicContact OD2-CZ 2.73Å; D2325-R2327 IonicContact OD2-NE 3.43Å; D2325-R2327 PolarHBondContact OD2-NE 2.83Å; D2325-R2327 IonicContact OD2-NH2 2.68Å; D2325-R2327 PolarHBondContact OD2-NH2 3.37Å | ||
| 2326 | I | 33.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 88% | 0.882 | 71% | 0.707 | S | S | * | * | trans | -136.9 | 141.5 | 164.2 | -62.7 | -175.1 | 0 | 0 | 0 | 107.9 | ||||
| 2327 | R | 29.1 | Very low | 30.3 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | trans | -120.6 | -166.2 | -160 | -56.4 | 177.5 | -176.6 | 170.4 | 3 | 112.4 | D2325 | D2325-R2327 VanDerWaalsContact OD1-CG 3.24Å; D2325-R2327 WeakPolarHBondContact OD1-CG 3.31Å; D2325-R2327 IonicContact OD1-NE 3.56Å; D2325-R2327 IonicContact OD2-CZ 2.73Å; D2325-R2327 IonicContact OD2-NE 3.43Å; D2325-R2327 PolarHBondContact OD2-NE 2.83Å; D2325-R2327 IonicContact OD2-NH2 2.68Å; D2325-R2327 PolarHBondContact OD2-NH2 3.37Å | ||
| 2328 | E | 30.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | 87.6 | 132.1 | 163.7 | -60.2 | -163.7 | 179.1 | 0 | 0 | 115.8 | ||||
| 2329 | L | 31.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | cis | -145.6 | 145.1 | 0.6 | -108.6 | 153.9 | 0 | 0 | 0 | 113 | ||||
| 2330 | S | 29.7 | Very low | 30.7 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | trans | -8.1 | 157.4 | 152.1 | 72.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2331 | S | 30.4 | Very low | 30.9 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | cis | -164 | 170.1 | 16.7 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2332 | L | 32.7 | Very low | 31.1 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -134.7 | 118.7 | 10.8 | -75.1 | 164.4 | 0 | 0 | 0 | 107.2 | ||
| 2333 | S | 29.8 | Very low | 31.2 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | 80.9 | 144.7 | 71.6 | 80.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 2334 | P | 32 | Very low | 31.4 | Very low | 105 Ų | 105 | 123 Ų | 123 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | cis | -141 | -159.7 | -20.3 | 31 | -6.7 | 0 | 0 | 0 | 113.5 | ||||
| 2335 | V | 31.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | trans | 69 | 123.6 | 157.5 | 172 | 0 | 0 | 0 | 0 | 116.9 | R812 | R812-V2335 PolarHBondContact NE-O 3.21Å; R812-V2335 VanDerWaalsContact NE-O 3.14Å; R812-V2335 PolarHBondContact NH2-O 3.11Å | ||
| 2336 | Q | 32.6 | Very low | 31.5 | Very low | 70 Ų | 70 | 112 Ų | 112 | 33% | 0.327 | 60% | 0.602 | S | S | . | * | cis | -158 | 170.2 | -11.3 | -100.5 | -141.1 | -58.1 | 0 | 0 | 108.6 | R812 | R812-Q2336 VanDerWaalsContact CD-O 3.25Å; R812-Q2336 WeakPolarHBondContact CD-O 3.4Å; R812-Q2336 PolarHBondContact NE-O 2.74Å; R812-Q2336 PolarHBondContact NH1-O 3.34Å | ||
| 2337 | D | 32.2 | Very low | 31.2 | Very low | 87 Ų | 87 | 103.8 Ų | 103.8 | 47% | 0.465 | 56% | 0.56 | S | S | . | * | cis | -169.2 | 174.7 | -39.5 | -99.2 | 1.4 | 0 | 0 | 0 | 110.9 | R805 | R805-D2337 PolarHBondContact NH1-O 3.3Š| ||
| 2338 | E | 32.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 94.6 Ų | 94.6 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | trans | 57.4 | 114.3 | 153.7 | -76.4 | 177.8 | 178.3 | 0 | 0 | 122.5 | R805 | R805-E2338 WeakPolarHBondContact CD-O 3.45Å; R805-E2338 WeakPolarHBondContact CG-O 3.44Å; R805-E2338 VanDerWaalsContact CZ-C 3.44Å; R805-E2338 PolarHBondContact NE-O 3.44Å; R805-E2338 VanDerWaalsContact NH1-C 3.33Å; R805-E2338 PolarHBondContact NH1-O 3.5Å | ||
| 2339 | N | 32.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 86.6 Ų | 86.6 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | trans | 75.5 | 135.9 | 136.8 | -54 | -18.2 | 0 | 0 | 0 | 120.8 | R805 | R805-N2339 WeakPolarHBondContact CG-O 3.32Å; R805-N2339 PolarHBondContact NE-O 3.36Å; R805-N2339 PolarHBondContact NH2-O 3.37Å | ||
| 2340 | M | 31.9 | Very low | 30.6 | Very low | 110 Ų | 110 | 81.8 Ų | 81.8 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | cis | -166.8 | 148.7 | -2.5 | -112.5 | 158.4 | 69.2 | 0 | 0 | 107.1 | ||||
| 2341 | M | 32.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 80.2 Ų | 80.2 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | trans | 60.4 | 156.3 | 145.1 | -64 | 176.9 | -179.7 | 0 | 0 | 118.9 | E2321 | E2321-M2341 HydrophobicContact CG-CE 3.71Å; E2321-M2341 HydrophobicContact CG-SD 4.45Å | ||
| 2342 | Q | 32.3 | Very low | 30.1 | Very low | 103 Ų | 103 | 77.7 Ų | 77.7 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | cis | -150.7 | 161.7 | -7.8 | -127.1 | 173.3 | -74.1 | 0 | 0 | 108.6 | ||||
| 2343 | D | 32.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 74.7 Ų | 74.7 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | trans | 52.9 | 111.7 | 147.5 | -58.5 | -19.4 | 0 | 0 | 0 | 119 | ||||
| 2344 | S | 30.4 | Very low | 29.4 | Very low | 93 Ų | 93 | 79 Ų | 79 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | 75.4 | 162.8 | 71.5 | 92 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2345 | N | 30.6 | Very low | 29.3 | Very low | 94 Ų | 94 | 81.9 Ų | 81.9 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | cis | -147.9 | 178.3 | -0.9 | -151.9 | 6 | 0 | 0 | 0 | 112.2 | ||||
| 2346 | A | 30.6 | Very low | 29 | Very low | 8 Ų | 8 | 83.4 Ų | 83.4 | 7% | 0.066 | 43% | 0.431 | C | S | . | . | trans | 68.8 | 152.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R646 S647 V711 S712 N713 | R646-A2346 CarbonylContact C-O 3.54Å; R646-A2346 VanDerWaalsContact CA-C 3.48Å; R646-A2346 WeakPolarHBondContact CA-O 3.35Å; S647-A2346 CarbonylContact C-O 3.6Å; S647-A2346 WeakPolarHBondContact CA-O 3.41Å; S647-A2346 PolarHBondContact N-O 3.08Å; S647-A2346 CarbonylContact O-C 3.57Å; V711-A2346 HydrophobicContact CG1-CB 3.46Å; V711-A2346 VanDerWaalsContact CG1-CB 3.46Å; S712-A2346 CarbonylContact O-C 3.15Å; S712-A2346 VanDerWaalsContact O-C 3.32Å; S712-A2346 WeakPolarHBondContact O-CA 3.46Å; S712-A2346 WeakPolarHBondContact O-CB 3.26Å; N713-A2346 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 2347 | E | 27.6 | Very low | 28.6 | Very low | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 152 | -168 | -97.7 | 103.6 | 83.8 | 0 | 0 | 114.2 | L643 R646 S647 V711 S712 A714 L744 | L643-E2347 HydrophobicContact CD1-CB 3.5Å; L643-E2347 HydrophobicContact CD1-CG 3.25Å; L643-E2347 HydrophobicContact CD2-CB 4.14Å; L643-E2347 HydrophobicContact CD2-CG 4.13Å; L643-E2347 HydrophobicContact CG-CB 4.49Å; L643-E2347 HydrophobicContact CG-CG 4.25Å; R646-E2347 PolarHBondContact N-OE2 2.66Å; S647-E2347 VanDerWaalsContact N-CA 3.33Å; S647-E2347 CarbonylContact O-C 3.53Å; S647-E2347 WeakPolarHBondContact O-CA 3.42Å; S647-E2347 PolarHBondContact O-N 3.29Å; V711-E2347 CarbonylContact C-O 3.55Å; V711-E2347 VanDerWaalsContact CA-O 3.22Å; V711-E2347 WeakPolarHBondContact CA-O 3.38Å; S712-E2347 WeakPolarHBondContact CB-OE1 2.94Å; S712-E2347 PolarHBondContact N-O 2.95Å; S712-E2347 WeakPolarHBondContact O-CB 3.21Å; S712-E2347 PolarHBondContact O-N 2.76Å; S712-E2347 PolarHBondContact OG-OE1 3.12Å; A714-E2347 PolarHBondContact N-OE1 2.69Å; L744-E2347 HydrophobicContact CD2-CG 3.74Å |
| 2348 | V | 28.7 | Very low | 28.3 | Very low | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | trans | 159.4 | 177.1 | 142.5 | 153.4 | 0 | 0 | 0 | 0 | 111.2 | L643 S647 F648 A649 Y710 | L643-V2348 HydrophobicContact CD2-CG2 4.1Å; S647-V2348 CarbonylContact C-O 3.36Å; S647-V2348 WeakPolarHBondContact CB-O 3.23Å; S647-V2348 PolarHBondContact O-N 2.95Å; S647-V2348 PolarHBondContact OG-O 2.94Å; F648-V2348 CarbonylContact C-O 3.48Å; F648-V2348 VanDerWaalsContact CA-C 3.48Å; F648-V2348 VanDerWaalsContact CA-N 3.34Å; F648-V2348 WeakPolarHBondContact CA-O 3.09Å; F648-V2348 HydrophobicContact CB-CB 4.5Å; F648-V2348 PolarHBondContact N-O 2.74Å; A649-V2348 HydrophobicContact CB-CG1 4.19Å; A649-V2348 WeakPolarHBondContact O-CG1 3.2Å; Y710-V2348 HydrophobicContact CD1-CB 4.4Å; Y710-V2348 HydrophobicContact CD1-CG1 4.4Å; Y710-V2348 HydrophobicContact CD1-CG2 3.09Å; Y710-V2348 HydrophobicContact CE1-CG2 3.62Å; Y710-V2348 HydrophobicContact CG-CG2 3.59Å; Y710-V2348 WeakPolarHBondContact O-CB 2.95Å; Y710-V2348 WeakPolarHBondContact O-CG1 3.41Å | ||
| 2349 | E | 25.1 | Very low | 27.9 | Very low | 3 Ų | 3 | 85.5 Ų | 85.5 | 1% | 0.014 | 45% | 0.451 | C | S | . | . | cis | 152.3 | 90.8 | -43.2 | -160.9 | 168.4 | -128.9 | 0 | 0 | 113.1 | L641 E642 L643 Y710 V742 K743 | L641-E2349 VanDerWaalsContact C-OE1 3.26Å; L641-E2349 VanDerWaalsContact CA-CG 3.5Å; L641-E2349 HydrophobicContact CB-CB 4.41Å; L641-E2349 HydrophobicContact CB-CG 3.36Å; L641-E2349 VanDerWaalsContact CB-OE2 3.26Å; L641-E2349 WeakPolarHBondContact CB-OE2 3.42Å; L641-E2349 HydrophobicContact CD1-CG 4.44Å; L641-E2349 WeakPolarHBondContact CD1-O 3.42Å; L641-E2349 HydrophobicContact CD2-CG 4.34Å; L641-E2349 VanDerWaalsContact CD2-OE2 3.3Å; L641-E2349 WeakPolarHBondContact CD2-OE2 3.46Å; L641-E2349 HydrophobicContact CG-CB 3.9Å; L641-E2349 HydrophobicContact CG-CG 3.37Å; L641-E2349 WeakPolarHBondContact CG-O 3.47Å; L641-E2349 WeakPolarHBondContact CG-OE2 3.44Å; E642-E2349 VanDerWaalsContact C-CG 3.48Å; E642-E2349 WeakPolarHBondContact O-CA 3.49Å; L643-E2349 HydrophobicContact CB-CB 3.26Å; L643-E2349 HydrophobicContact CB-CG 3.37Å; L643-E2349 HydrophobicContact CD2-CB 3.93Å; L643-E2349 VanDerWaalsContact CD2-CD 3.46Å; L643-E2349 HydrophobicContact CD2-CG 4.08Å; L643-E2349 VanDerWaalsContact CD2-OE1 3.3Å; L643-E2349 WeakPolarHBondContact CD2-OE1 3.33Å; L643-E2349 HydrophobicContact CG-CB 4.13Å; L643-E2349 HydrophobicContact CG-CG 4.31Å; Y710-E2349 WeakPolarHBondContact CD1-OE2 3.41Å; V742-E2349 VanDerWaalsContact CA-OE1 3.22Å; V742-E2349 WeakPolarHBondContact CA-OE1 3.06Å; V742-E2349 VanDerWaalsContact CG1-OE1 3.31Å; V742-E2349 WeakPolarHBondContact CG1-OE1 3.41Å; V742-E2349 WeakPolarHBondContact CG1-OE2 3.32Å; V742-E2349 WeakPolarHBondContact CG2-OE2 3.45Å; K743-E2349 PolarHBondContact N-OE1 2.87Å | ||
| 2350 | S | 24.6 | Very low | 27.5 | Very low | 35 Ų | 35 | 85.9 Ų | 85.9 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | trans | 169 | 151.7 | 167.3 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | A649 L650 | A649-S2350 WeakPolarHBondContact CB-OG 2.85Å; L650-S2350 PolarHBondContact N-OG 3.28Å; L650-S2350 WeakPolarHBondContact O-CB 2.97Å; L650-S2350 PolarHBondContact O-OG 2.95Å; L650-S2350 VanDerWaalsContact O-OG 3.13Å | ||
| 2351 | N | 25.3 | Very low | 27.3 | Very low | 66 Ų | 66 | 84.3 Ų | 84.3 | 35% | 0.353 | 43% | 0.434 | S | S | . | . | 118.3 | 80.6 | 125.1 | -77.3 | -24.8 | 0 | 0 | 0 | 121.4 | L650 T652 H655 | L650-N2351 PolarHBondContact O-ND2 2.8Å; L650-N2351 PolarHBondContact O-OD1 3Å; T652-N2351 PolarHBondContact OG1-OD1 3.38Å; H655-N2351 PolarHBondContact CE1-N 2.02Å; H655-N2351 PolarHBondContact CE1-OD1 3.38Å; H655-N2351 PolarHBondContact ND1-OD1 2.8Å; H655-N2351 PolarHBondContact NE2-N 3.16Å | |||
| 2352 | I | 25.7 | Very low | 27 | Very low | 50 Ų | 50 | 87.5 Ų | 87.5 | 26% | 0.256 | 46% | 0.459 | S | S | . | . | 84.1 | 122.6 | 98.3 | -85.1 | 176.9 | 0 | 0 | 0 | 122.5 | T652 K654 H655 | T652-I2352 WeakPolarHBondContact O-CD1 3.16Å; T652-I2352 VanDerWaalsContact OG1-CD1 3.28Å; T652-I2352 WeakPolarHBondContact OG1-CD1 3.33Å; K654-I2352 VanDerWaalsContact CA-CD1 3.48Å; K654-I2352 HydrophobicContact CB-CD1 3.61Å; K654-I2352 HydrophobicContact CB-CG1 3.79Å; K654-I2352 HydrophobicContact CD-CB 4.01Å; K654-I2352 HydrophobicContact CD-CD1 3.78Å; K654-I2352 HydrophobicContact CD-CG1 3.69Å; K654-I2352 HydrophobicContact CD-CG2 3.36Å; K654-I2352 HydrophobicContact CG-CD1 4.22Å; K654-I2352 HydrophobicContact CG-CG1 4.35Å; H655-I2352 VanDerWaalsContact CE1-CD1 3.47Å; H655-I2352 WeakPolarHBondContact CE1-CD1 3.43Å; H655-I2352 WeakPolarHBondContact ND1-CD1 3.5Å | |||
| 2353 | T | 24.8 | Very low | 26.7 | Very low | 88 Ų | 88 | 86.7 Ų | 86.7 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | trans | 75 | 144.8 | 168.8 | 11.8 | 0 | 0 | 0 | 0 | 120.2 | K654 | K654-T2353 HydrophobicContact CD-CG2 4.08Å; K654-T2353 VanDerWaalsContact NZ-CG2 3.34Å; K654-T2353 PolarHBondContact NZ-OG1 2.85Å | ||
| 2354 | K | 22.9 | Very low | 26.4 | Very low | 185 Ų | 185 | 85.1 Ų | 85.1 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | trans | 24.1 | 119.1 | 143.9 | -69.5 | 172.6 | 175.8 | -167.8 | 0 | 118.6 | ||||
| 2355 | L | 28 | Very low | 26.2 | Very low | 166 Ų | 166 | 84.7 Ų | 84.7 | 87% | 0.869 | 44% | 0.438 | S | S | * | . | -171.9 | 106.6 | 129 | -93.1 | 147.9 | 0 | 0 | 0 | 104.5 | |||||
| 2356 | H | 26 | Very low | 25.9 | Very low | 136 Ų | 136 | 84.1 Ų | 84.1 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | 59.4 | 117 | 84.9 | -93.3 | -91.4 | 0 | 0 | 0 | 116 | |||||
| 2357 | E | 24 | Very low | 25.7 | Very low | 102 Ų | 102 | 88.9 Ų | 88.9 | 48% | 0.477 | 46% | 0.457 | S | S | . | . | trans | 31 | 110.6 | 145.8 | -67.1 | 169.1 | 119.6 | 0 | 0 | 121.5 | Q464 | Q464-E2357 PolarHBondContact NE2-OE1 3.48Š| ||
| 2358 | S | 27.1 | Very low | 25.5 | Very low | 113 Ų | 113 | 94.8 Ų | 94.8 | 79% | 0.79 | 49% | 0.488 | S | S | * | . | trans | 171.5 | 123.7 | 144.8 | 35.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 2359 | Q | 23.7 | Very low | 25.3 | Very low | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | cis | 67 | 101.2 | 19.6 | -100.8 | -170 | -48.1 | 0 | 0 | 115.5 | ||||
| 2360 | Y | 24.6 | Very low | 25.3 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 40% | 0.4 | 56% | 0.561 | S | S | . | * | trans | 72.8 | 159.6 | 165.5 | -50 | -61.7 | 0 | 0 | 0 | 116.5 | G13 | G13-Y2360 WeakPolarHBondContact O-CB 3.44Š| ||
| 2361 | W | 25.7 | Very low | 25.4 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 29% | 0.292 | 59% | 0.588 | S | S | . | * | cis | -133.8 | 156.9 | 5.2 | -9.8 | 24.9 | 0 | 0 | 0 | 111.6 | S12 G13 R14 H15 E496 | S12-W2361 VanDerWaalsContact O-CE3 3.26Å; G13-W2361 VanDerWaalsContact C-CH2 3.5Å; G13-W2361 PolarHBondContact O-NE1 2.78Å; G13-W2361 VanDerWaalsContact O-NE1 3.09Å; R14-W2361 HydrophobicContact CB-CB 4.2Å; R14-W2361 HydrophobicContact CB-CD2 2.74Å; R14-W2361 VanDerWaalsContact CB-CE2 3.46Å; R14-W2361 HydrophobicContact CB-CE3 2.58Å; R14-W2361 HydrophobicContact CB-CG 3.56Å; R14-W2361 HydrophobicContact CB-CH2 3.82Å; R14-W2361 HydrophobicContact CB-CZ2 3.93Å; R14-W2361 HydrophobicContact CB-CZ3 3.16Å; R14-W2361 HydrophobicContact CG-CD2 3.98Å; R14-W2361 HydrophobicContact CG-CE3 4.12Å; R14-W2361 HydrophobicContact CG-CG 4.48Å; R14-W2361 VanDerWaalsContact CZ-O 3.24Å; R14-W2361 VanDerWaalsContact NH1-C 3.31Å; R14-W2361 PolarHBondContact NH1-O 3.36Å; R14-W2361 PolarHBondContact NH2-O 2.59Å; R14-W2361 VanDerWaalsContact O-CH2 3.31Å; R14-W2361 WeakPolarHBondContact O-CH2 3.41Å; R14-W2361 VanDerWaalsContact O-CZ3 3.25Å; R14-W2361 WeakPolarHBondContact O-CZ3 3.44Å; H15-W2361 HydrophobicContact CB-CZ2 4.46Å; H15-W2361 AromaticContact CD2-CE2 3.91Å; H15-W2361 AromaticContact CD2-CZ2 3.97Å; H15-W2361 AromaticContact CD2-NE1 3.75Å; H15-W2361 AromaticContact CE1-CZ2 3.72Å; H15-W2361 AromaticContact CE1-NE1 3.88Å; H15-W2361 AromaticContact CG-CZ2 3.77Å; H15-W2361 AromaticContact ND1-CZ2 3.58Å; H15-W2361 AromaticContact NE2-CE2 3.72Å; H15-W2361 AromaticContact NE2-CZ2 3.94Å; H15-W2361 AromaticContact NE2-NE1 3.27Å; H15-W2361 PolarHBondContact NE2-NE1 2.76Å; E496-W2361 HydrophobicContact CB-CH2 4.22Å; E496-W2361 HydrophobicContact CB-CZ2 4.38Å; E496-W2361 HydrophobicContact CG-CH2 4.22Å; E496-W2361 HydrophobicContact CG-CZ2 4.23Å; E496-W2361 WeakPolarHBondContact OE1-CH2 3.39Å | ||
| 2362 | V | 26.8 | Very low | 25.4 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 100% | 1.091 | 61% | 0.609 | S | S | * | * | trans | -92.9 | 0 | 137 | 170.4 | 0 | 0 | 0 | 0 | 105.7 | R14 | R14-V2362 PolarHBondContact NH1-OXT 3.02Š|
Retrieved 2,362 of 2,362 residues in 3206.1 ms
(Link to these results)