| 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 | 38.4 | Very low | 35.4 | Very low | 254 Ų | 254 | 136.4 Ų | 136.4 | 100% | 1.251 | 76% | 0.755 | S | S | * | * | 0 | 122.9 | 0 | -65.1 | 151.4 | 88.5 | 0 | 0 | 107.3 | |||||
| 2 | G | 38.7 | Very low | 35.1 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 177.8 | 13.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | G | 32.9 | Very low | 34.8 | Very low | 55 Ų | 55 | 134.3 Ų | 134.3 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -107.8 | -23.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 4 | T | 36.9 | Very low | 34.4 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -3 | -161.6 | 34.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 5 | R | 37.4 | Very low | 34.3 | Very low | 224 Ų | 224 | 135.3 Ų | 135.3 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -16.7 | 179.3 | -80.3 | -171.6 | 171 | -175.9 | -3.1 | 115.3 | ||
| 6 | V | 41.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -83.3 | -41.4 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | L8 L9 M10 | V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 2.72Å; V6-L9 PolarHBondContact O-N 3.3Å; V6-M10 PolarHBondContact O-N 3.32Å |
| 7 | L | 36 | Very low | 33.8 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -62.1 | -33.8 | 177.4 | -94.7 | 74.8 | 0 | 0 | 0 | 112.8 | L9 M10 L11 | L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.08Å; L7-M10 PolarHBondContact O-N 3.21Å; L7-L11 PolarHBondContact O-N 3.31Å; L7-L11 VanDerWaalsContact O-N 3.14Å |
| 8 | L | 32.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 60% | 0.602 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -72.1 | -26.1 | -176.6 | -147.3 | 77.1 | 0 | 0 | 0 | 113.1 | V6 L12 | V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 2.72Å; L8-L12 WeakPolarHBondContact O-CG 3.18Å |
| 9 | L | 31.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -76.1 | -39.7 | 171 | -99.2 | 74.2 | 0 | 0 | 0 | 111.7 | V6 L7 L11 L12 V13 | V6-L9 PolarHBondContact O-N 3.3Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.08Å; L9-L11 PolarHBondContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-V13 PolarHBondContact O-N 2.9Å; L9-V13 VanDerWaalsContact O-N 3.07Å |
| 10 | M | 32 | Very low | 35.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -61.8 | -29.9 | 175.8 | -77.6 | -64.9 | -160.1 | 0 | 0 | 112.8 | V6 L7 L12 | V6-M10 PolarHBondContact O-N 3.32Å; L7-M10 PolarHBondContact O-N 3.21Å; M10-L12 VanDerWaalsContact C-N 3.32Å |
| 11 | L | 30.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -8.6 | 173.7 | -76.4 | 164.3 | 0 | 0 | 0 | 114.5 | L7 L9 | L7-L11 PolarHBondContact O-N 3.31Å; L7-L11 VanDerWaalsContact O-N 3.14Å; L9-L11 PolarHBondContact O-N 3.16Å |
| 12 | L | 31.4 | Very low | 37.7 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -9 | 178.4 | -70.7 | 172.9 | 0 | 0 | 0 | 113.9 | L8 L9 M10 G14 | L8-L12 WeakPolarHBondContact O-CG 3.18Å; L9-L12 PolarHBondContact O-N 2.98Å; M10-L12 VanDerWaalsContact C-N 3.32Å; L12-G14 VanDerWaalsContact C-N 3.27Å |
| 13 | V | 31.9 | Very low | 39.3 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 62% | 0.624 | 65% | 0.647 | S | S | * | * | trans | -98 | 23.6 | 163.1 | -160.3 | 0 | 0 | 0 | 0 | 110.9 | L9 W15 | L9-V13 PolarHBondContact O-N 2.9Å; L9-V13 VanDerWaalsContact O-N 3.07Å; V13-W15 PolarHBondContact O-N 3.45Å | ||
| 14 | G | 28.7 | Very low | 41.6 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | trans | -67.2 | 58.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L12 E16 | L12-G14 VanDerWaalsContact C-N 3.27Å; G14-E16 PolarHBondContact O-N 3.19Å | ||
| 15 | W | 32.7 | Very low | 44.1 | Very low | 220 Ų | 220 | 115.2 Ų | 115.2 | 83% | 0.833 | 60% | 0.6 | S | S | * | * | trans | -68.6 | 100.7 | 176.4 | -140.6 | -21.4 | 0 | 0 | 0 | 106.6 | V13 R17 | V13-W15 PolarHBondContact O-N 3.45Å; W15-R17 VanDerWaalsContact C-N 3.34Å; W15-R17 PolarHBondContact O-N 3.3Å | ||
| 16 | E | 27.3 | Very low | 46.7 | Very low | 160 Ų | 160 | 107.9 Ų | 107.9 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | trans | -52.6 | 109.4 | 156.8 | -73.3 | -168 | 141.5 | 0 | 0 | 106.2 | G14 S18 | G14-E16 PolarHBondContact O-N 3.19Å; E16-S18 PolarHBondContact O-N 3.38Å | ||
| 17 | R | 32.9 | Very low | 49.2 | Very low | 243 Ų | 243 | 103.5 Ų | 103.5 | 92% | 0.917 | 55% | 0.554 | S | S | * | * | trans | -67.1 | 77 | 156.6 | -79 | -174.6 | 171.1 | -169.2 | -2.1 | 106 | W15 A19 | W15-R17 VanDerWaalsContact C-N 3.34Å; W15-R17 PolarHBondContact O-N 3.3Å; R17-A19 PolarHBondContact O-N 3.36Å | ||
| 18 | S | 35.3 | Very low | 52 | Low | 95 Ų | 95 | 97.5 Ų | 97.5 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | trans | -52.8 | 94.8 | 160.4 | -65.9 | 0 | 0 | 0 | 0 | 105.8 | E16 A20 | E16-S18 PolarHBondContact O-N 3.38Å; S18-A20 PolarHBondContact O-N 2.94Å | ||
| 19 | A | 41.7 | Very low | 55 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | trans | -56.4 | 109.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | R17 L21 | R17-A19 PolarHBondContact O-N 3.36Å; A19-L21 PolarHBondContact O-N 3.44Å | ||
| 20 | A | 50.7 | Low | 58 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 74% | 0.736 | 49% | 0.485 | S | S | * | . | trans | -62.7 | 108 | -172.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | S18 N22 | S18-A20 PolarHBondContact O-N 2.94Å; A20-N22 PolarHBondContact O-N 2.97Å | ||
| 21 | L | 60.9 | Low | 61 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.199 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -46.8 | 122.8 | -177.2 | 178.9 | 69.4 | 0 | 0 | 0 | 107.5 | A19 W23 L288 P409 L410 L412 | A19-L21 PolarHBondContact O-N 3.44Å; L21-W23 PolarHBondContact O-N 3.32Å; L21-L288 HydrophobicContact CD2-CD1 3.87Å; L21-L288 HydrophobicContact CD2-CD2 4.11Å; L21-P409 WeakPolarHBondContact CD1-O 3.24Å; L21-P409 HydrophobicContact CD2-CB 4.11Å; L21-L410 WeakPolarHBondContact CD1-O 3.1Å; L21-L412 HydrophobicContact CD2-CB 4.24Å |
| 22 | N | 67.1 | Low | 64 | Low | 100 Ų | 100 | 85.3 Ų | 85.3 | 54% | 0.535 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 118.9 | -177.7 | -167.4 | 1 | 0 | 0 | 0 | 108 | A20 P25 | A20-N22 PolarHBondContact O-N 2.97Å; N22-P25 HydrophobicContact CB-CB 4.36Å |
| 23 | W | 72.5 | Confident | 66.9 | Low | 54 Ų | 54 | 80.7 Ų | 80.7 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -89 | 117.4 | -175.4 | -87.7 | 33.6 | 0 | 0 | 0 | 109.4 | L21 L288 R291 W322 L412 | L21-W23 PolarHBondContact O-N 3.32Å; W23-L288 HydrophobicContact CZ2-CD1 3.79Å; W23-R291 HydrophobicContact CZ2-CG 4.48Å; W23-W322 HydrophobicContact CH2-CE3 4.16Å; W23-W322 AromaticContact CH2-CH2 3.59Å; W23-W322 HydrophobicContact CH2-CH2 3.59Å; W23-W322 HydrophobicContact CH2-CZ2 4.48Å; W23-W322 AromaticContact CH2-CZ3 3.37Å; W23-W322 HydrophobicContact CH2-CZ3 3.37Å; W23-W322 HydrophobicContact CZ2-CZ3 4.47Å; W23-W322 HydrophobicContact CZ3-CE3 4.35Å; W23-W322 AromaticContact CZ3-CH2 3.99Å; W23-W322 HydrophobicContact CZ3-CH2 3.99Å; W23-W322 HydrophobicContact CZ3-CZ2 4.47Å; W23-W322 AromaticContact CZ3-CZ3 3.9Å; W23-W322 HydrophobicContact CZ3-CZ3 3.9Å; W23-L412 HydrophobicContact CD2-CD2 3.61Å; W23-L412 HydrophobicContact CE3-CD2 4.21Å; W23-L412 HydrophobicContact CG-CD2 3.93Å; W23-L412 HydrophobicContact CH2-CD2 4.24Å; W23-L412 HydrophobicContact CZ2-CD2 3.61Å |
| 24 | N | 82.1 | Confident | 69.7 | Low | 61 Ų | 61 | 82.7 Ų | 82.7 | 33% | 0.326 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 59.8 | 61.6 | -173.4 | -160.5 | 86.7 | 0 | 0 | 0 | 112.3 | V26 L412 T413 K414 | N24-V26 PolarHBondContact O-N 2.79Å; N24-L412 VanDerWaalsContact CA-O 3.29Å; N24-L412 WeakPolarHBondContact CA-O 3.21Å; N24-L412 PolarHBondContact N-O 3.44Å; N24-T413 WeakPolarHBondContact OD1-CG2 3.32Å; N24-K414 PolarHBondContact OD1-N 3.04Å; N24-K414 PolarHBondContact OD1-O 2.69Å |
| 25 | P | 88.2 | Confident | 72.4 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 7% | 0.065 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 128 | -178.1 | 27.7 | -33.1 | 0 | 0 | 0 | 110.4 | N22 L411 L412 V458 | N22-P25 HydrophobicContact CB-CB 4.36Å; P25-L411 HydrophobicContact CG-CD1 3.41Å; P25-L411 VanDerWaalsContact CG-CD1 3.41Å; P25-L412 WeakPolarHBondContact CD-O 3.43Å; P25-V458 HydrophobicContact CB-CG2 4.35Å; P25-V458 HydrophobicContact CG-CG2 3.97Å |
| 26 | V | 91.3 | Very high | 74.8 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 128.4 | -178.2 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | N24 R28 N588 L589 | N24-V26 PolarHBondContact O-N 2.79Å; V26-R28 PolarHBondContact O-N 2.93Å; V26-N588 HydrophobicContact CG1-CB 3.66Å; V26-L589 HydrophobicContact CB-CD2 3.91Å; V26-L589 HydrophobicContact CG1-CD2 4.36Å |
| 27 | P | 95.3 | Very high | 77.5 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 126.2 | 173.1 | -24 | 34.8 | 0 | 0 | 0 | 111.4 | K29 V458 E461 N588 | P27-K29 VanDerWaalsContact C-N 3.31Å; P27-K29 PolarHBondContact O-N 3.07Å; P27-V458 HydrophobicContact CB-CB 4.44Å; P27-V458 HydrophobicContact CB-CG1 3.71Å; P27-V458 HydrophobicContact CG-CG1 3.84Å; P27-E461 HydrophobicContact CB-CB 4.03Å; P27-E461 HydrophobicContact CB-CG 3.94Å; P27-E461 HydrophobicContact CG-CB 4.07Å; P27-E461 HydrophobicContact CG-CG 4.05Å; P27-N588 WeakPolarHBondContact O-CB 3.34Å; P27-N588 PolarHBondContact O-ND2 3.38Å |
| 28 | R | 95.6 | Very high | 79.8 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -58.4 | -41.9 | -174.4 | -173.1 | -169.4 | 170.9 | -107.9 | -10 | 112 | V26 V458 I459 D507 L510 A511 S587 N588 L589 E639 | V26-R28 PolarHBondContact O-N 2.93Å; R28-V458 PolarHBondContact N-O 3.11Å; R28-I459 WeakPolarHBondContact CB-O 3.42Å; R28-D507 IonicContact CZ-OD1 2.68Å; R28-D507 VanDerWaalsContact CZ-OD1 3.27Å; R28-D507 PolarHBondContact NH1-O 3.44Å; R28-D507 IonicContact NH1-OD1 2.89Å; R28-D507 PolarHBondContact NH1-OD1 2.83Å; R28-D507 IonicContact NH2-OD1 2.84Å; R28-D507 PolarHBondContact NH2-OD1 2.93Å; R28-L510 VanDerWaalsContact CD-O 3.27Å; R28-L510 WeakPolarHBondContact CD-O 3.45Å; R28-L510 PolarHBondContact NE-O 3.18Å; R28-A511 VanDerWaalsContact NH1-CA 3.35Å; R28-S587 WeakPolarHBondContact CG-OG 3.29Å; R28-S587 CarbonylContact O-C 3.59Å; R28-S587 VanDerWaalsContact O-CA 3.31Å; R28-S587 WeakPolarHBondContact O-CA 3.49Å; R28-S587 PolarHBondContact O-OG 3.18Å; R28-N588 PolarHBondContact O-N 2.81Å; R28-L589 HydrophobicContact CB-CD1 3.98Å; R28-L589 HydrophobicContact CB-CG 4.38Å; R28-L589 HydrophobicContact CG-CD1 4.03Å; R28-L589 HydrophobicContact CG-CG 4.37Å; R28-E639 IonicContact CZ-OE1 3.63Å; R28-E639 IonicContact CZ-OE2 3.56Å; R28-E639 IonicContact NE-OE1 2.98Å; R28-E639 PolarHBondContact NE-OE1 3.43Å; R28-E639 IonicContact NE-OE2 2.71Å; R28-E639 PolarHBondContact NE-OE2 3.02Å; R28-E639 IonicContact NH2-OE1 3.94Å; R28-E639 IonicContact NH2-OE2 3.88Å; R28-E639 PolarHBondContact NH2-OE2 3.08Å |
| 29 | K | 94.8 | Very high | 82.1 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148 | 167.5 | -60 | -163.8 | -176.6 | -167.9 | 0 | 111.6 | P27 I459 E460 E461 R501 Y502 D507 V586 | P27-K29 VanDerWaalsContact C-N 3.31Å; P27-K29 PolarHBondContact O-N 3.07Å; K29-I459 PolarHBondContact N-O 2.78Å; K29-E460 HydrophobicContact CB-CB 4.31Å; K29-E460 CarbonylContact O-C 3.59Å; K29-E460 WeakPolarHBondContact O-CA 3.36Å; K29-E460 WeakPolarHBondContact O-CB 3.43Å; K29-E461 PolarHBondContact O-N 3.43Å; K29-R501 PolarHBondContact NZ-O 3.27Å; K29-Y502 HydrophobicContact CD-CE1 4.12Å; K29-D507 VanDerWaalsContact CE-OD1 3.31Å; K29-D507 WeakPolarHBondContact CE-OD1 3.24Å; K29-D507 IonicContact NZ-OD1 2.68Å; K29-D507 PolarHBondContact NZ-OD1 2.81Å; K29-D507 IonicContact NZ-OD2 2.8Å; K29-D507 PolarHBondContact NZ-OD2 2.84Å; K29-V586 VanDerWaalsContact CE-O 3.29Å; K29-V586 WeakPolarHBondContact CE-O 3.45Å |
| 30 | T | 95.2 | Very high | 84.4 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.4 | 171.4 | -57.1 | 0 | 0 | 0 | 0 | 107.8 | W445 E461 N588 | T30-W445 HydrophobicContact CG2-CH2 4.24Å; T30-W445 HydrophobicContact CG2-CZ3 3.88Å; T30-E461 WeakPolarHBondContact CB-OE1 3.46Å; T30-E461 HydrophobicContact CG2-CG 3.87Å; T30-E461 VanDerWaalsContact CG2-OE1 3.29Å; T30-E461 WeakPolarHBondContact CG2-OE1 3.38Å; T30-E461 PolarHBondContact OG1-OE1 2.79Å; T30-N588 PolarHBondContact OG1-ND2 2.84Å |
| 31 | V | 95.1 | Very high | 86.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.2 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | D35 E461 I462 Q463 | V31-D35 HydrophobicContact CG1-CB 4.13Å; V31-E461 PolarHBondContact N-O 2.86Å; V31-I462 HydrophobicContact CB-CG1 4.34Å; V31-I462 HydrophobicContact CB-CG2 4.39Å; V31-I462 HydrophobicContact CG1-CG2 4.38Å; V31-Q463 PolarHBondContact O-N 3.27Å |
| 32 | R | 94.4 | Very high | 88.1 | Confident | 168 Ų | 168 | 59.3 Ų | 59.3 | 63% | 0.634 | 30% | 0.298 | S | S | * | . | trans | -79.5 | 165.8 | 178.7 | -59.7 | 177.9 | 166.8 | -170.7 | -5.4 | 110.4 | Q34 D35 G36 | R32-Q34 VanDerWaalsContact C-N 3.29Å; R32-Q34 PolarHBondContact O-N 2.75Å; R32-D35 WeakPolarHBondContact CB-OD2 3.44Å; R32-D35 PolarHBondContact N-OD2 2.96Å; R32-D35 PolarHBondContact O-N 3.27Å; R32-D35 VanDerWaalsContact O-N 3.15Å; R32-G36 PolarHBondContact O-N 3.01Å | ||
| 33 | Y | 92.3 | Very high | 89.6 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.6 | -46.1 | -177.9 | 177.2 | -94 | 0 | 0 | 0 | 112.4 | D35 G36 Q37 R42 F465 D466 | Y33-D35 PolarHBondContact O-N 2.66Å; Y33-G36 PolarHBondContact O-N 2.87Å; Y33-Q37 HydrophobicContact CE1-CB 4.37Å; Y33-Q37 WeakPolarHBondContact O-CB 3.38Å; Y33-Q37 PolarHBondContact O-N 2.84Å; Y33-R42 VanDerWaalsContact CE2-NH2 3.27Å; Y33-F465 VanDerWaalsContact CD2-C 3.41Å; Y33-D466 HydrophobicContact CD1-CB 3.89Å; Y33-D466 HydrophobicContact CD2-CB 4.11Å; Y33-D466 HydrophobicContact CE1-CB 3.87Å; Y33-D466 HydrophobicContact CE2-CB 4.03Å; Y33-D466 HydrophobicContact CG-CB 4.03Å |
| 34 | Q | 90.1 | Very high | 90.7 | Very high | 145 Ų | 145 | 56.3 Ų | 56.3 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | -179.4 | -65.3 | 174.4 | -6 | 0 | 0 | 113.1 | R32 | R32-Q34 VanDerWaalsContact C-N 3.29Å; R32-Q34 PolarHBondContact O-N 2.75Å |
| 35 | D | 85.5 | Confident | 91.4 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -79.7 | -22.1 | 178.1 | -44.6 | -58.7 | 0 | 0 | 0 | 112.5 | V31 R32 Y33 | V31-D35 HydrophobicContact CG1-CB 4.13Å; R32-D35 WeakPolarHBondContact CB-OD2 3.44Å; R32-D35 PolarHBondContact N-OD2 2.96Å; R32-D35 PolarHBondContact O-N 3.27Å; R32-D35 VanDerWaalsContact O-N 3.15Å; Y33-D35 PolarHBondContact O-N 2.66Å |
| 36 | G | 82.5 | Confident | 91.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -96 | -32.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R32 Y33 D38 S39 | R32-G36 PolarHBondContact O-N 3.01Å; Y33-G36 PolarHBondContact O-N 2.87Å; G36-D38 PolarHBondContact O-N 3.19Å; G36-S39 PolarHBondContact O-N 3.41Å; G36-S39 PolarHBondContact O-OG 3.16Å |
| 37 | Q | 83.1 | Confident | 91.9 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -53.9 | -44.4 | -164.5 | 61.4 | -177.1 | 2.8 | 0 | 0 | 114.2 | Y33 S39 M40 | Y33-Q37 HydrophobicContact CE1-CB 4.37Å; Y33-Q37 WeakPolarHBondContact O-CB 3.38Å; Y33-Q37 PolarHBondContact O-N 2.84Å; Q37-S39 PolarHBondContact O-N 3.36Å; Q37-S39 VanDerWaalsContact O-N 3.11Å; Q37-M40 PolarHBondContact O-N 3.18Å |
| 38 | D | 81.7 | Confident | 92 | Very high | 155 Ų | 155 | 63.6 Ų | 63.6 | 83% | 0.829 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -69.2 | -11.9 | -177.1 | -58.2 | -25.6 | 0 | 0 | 0 | 113.1 | G36 | G36-D38 PolarHBondContact O-N 3.19Š|
| 39 | S | 83.3 | Confident | 92.1 | Very high | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -97.7 | 10.3 | 175.2 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | G36 Q37 P495 N498 R501 | G36-S39 PolarHBondContact O-N 3.41Å; G36-S39 PolarHBondContact O-OG 3.16Å; Q37-S39 PolarHBondContact O-N 3.36Å; Q37-S39 VanDerWaalsContact O-N 3.11Å; S39-P495 WeakPolarHBondContact O-CD 3.46Å; S39-N498 WeakPolarHBondContact CB-ND2 3.35Å; S39-R501 PolarHBondContact OG-NH2 3.25Å; S39-R501 VanDerWaalsContact OG-NH2 3.17Å |
| 40 | M | 90.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 6% | 0.064 | 35% | 0.351 | C | S | . | . | trans | -133 | 116.8 | -176.1 | -52 | -166.6 | -86.4 | 0 | 0 | 111.1 | Q37 I462 L464 L494 | Q37-M40 PolarHBondContact O-N 3.18Å; M40-I462 HydrophobicContact SD-CG2 4.43Å; M40-L464 HydrophobicContact SD-CD2 4.14Å; M40-L494 HydrophobicContact CB-CD1 4.26Å; M40-L494 HydrophobicContact CB-CG 4.45Å; M40-L494 HydrophobicContact CG-CD1 4.05Å; M40-L494 HydrophobicContact CG-CD2 4.41Å; M40-L494 HydrophobicContact CG-CG 3.83Å; M40-L494 HydrophobicContact SD-CD1 3.75Å; M40-L494 HydrophobicContact SD-CD2 3.79Å; M40-L494 HydrophobicContact SD-CG 3.75Å | ||
| 41 | A | 94.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 150.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I79 L492 Q493 | A41-I79 HydrophobicContact CB-CG1 4.28Å; A41-L492 CarbonylContact O-C 3.58Å; A41-L492 WeakPolarHBondContact O-CA 3.41Å; A41-Q493 HydrophobicContact CB-CB 4.22Å; A41-Q493 PolarHBondContact N-O 2.82Å; A41-Q493 VanDerWaalsContact N-O 3.1Å; A41-Q493 PolarHBondContact O-N 2.88Å |
| 42 | R | 95.4 | Very high | 92.4 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.6 | -170.3 | -58.1 | -174.2 | 173.5 | -96.2 | -9.4 | 111.2 | Y33 L464 E490 V491 L492 | Y33-R42 VanDerWaalsContact CE2-NH2 3.27Å; R42-L464 PolarHBondContact NH1-O 2.94Å; R42-L464 PolarHBondContact NH2-O 3.3Å; R42-E490 WeakPolarHBondContact CD-OE2 3.46Å; R42-E490 IonicContact CZ-OE2 2.69Å; R42-E490 IonicContact NE-OE2 2.69Å; R42-E490 VanDerWaalsContact NH1-CD 3.34Å; R42-E490 IonicContact NH1-OE1 2.73Å; R42-E490 IonicContact NH1-OE2 2.71Å; R42-E490 PolarHBondContact NH1-OE2 2.84Å; R42-V491 CarbonylContact C-O 3.57Å; R42-V491 WeakPolarHBondContact CA-O 3.17Å; R42-L492 HydrophobicContact CB-CD2 4.46Å; R42-L492 HydrophobicContact CG-CD2 3.79Å; R42-L492 VanDerWaalsContact NH1-CD2 3.28Å |
| 43 | F | 97.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127 | 171.9 | 177.2 | -91.4 | 0 | 0 | 0 | 110.8 | V45 Y51 F72 L74 I79 E490 V491 | F43-V45 HydrophobicContact CE1-CG2 4.07Å; F43-V45 HydrophobicContact CE2-CG2 4.34Å; F43-V45 HydrophobicContact CZ-CG2 3.63Å; F43-Y51 HydrophobicContact CD1-CE1 4.48Å; F43-Y51 HydrophobicContact CE1-CE1 4.31Å; F43-F72 HydrophobicContact CE1-CB 4.43Å; F43-F72 AromaticContact CE1-CD1 3.94Å; F43-F72 HydrophobicContact CE1-CD1 3.94Å; F43-F72 AromaticContact CE1-CD2 4Å; F43-F72 HydrophobicContact CE1-CD2 4Å; F43-F72 HydrophobicContact CE1-CE1 4.14Å; F43-F72 HydrophobicContact CE1-CE2 4.19Å; F43-F72 AromaticContact CE1-CG 3.85Å; F43-F72 HydrophobicContact CE1-CG 3.85Å; F43-F72 HydrophobicContact CE1-CZ 4.25Å; F43-F72 HydrophobicContact CZ-CB 4.5Å; F43-F72 AromaticContact CZ-CD1 3.66Å; F43-F72 HydrophobicContact CZ-CD1 3.66Å; F43-F72 AromaticContact CZ-CE1 3.93Å; F43-F72 HydrophobicContact CZ-CE1 3.93Å; F43-F72 AromaticContact CZ-CG 3.99Å; F43-F72 HydrophobicContact CZ-CG 3.99Å; F43-F72 HydrophobicContact CZ-CZ 4.47Å; F43-L74 HydrophobicContact CB-CD1 4.12Å; F43-L74 HydrophobicContact CD1-CD1 3.7Å; F43-L74 HydrophobicContact CD1-CD2 4.3Å; F43-L74 HydrophobicContact CD2-CD1 4.15Å; F43-L74 HydrophobicContact CD2-CD2 3.82Å; F43-L74 HydrophobicContact CE1-CD1 4.15Å; F43-L74 HydrophobicContact CE1-CD2 4.07Å; F43-L74 HydrophobicContact CE2-CD2 3.57Å; F43-L74 HydrophobicContact CG-CD1 3.7Å; F43-L74 HydrophobicContact CG-CD2 4.19Å; F43-L74 HydrophobicContact CZ-CD2 3.71Å; F43-I79 HydrophobicContact CB-CB 4.45Å; F43-I79 HydrophobicContact CB-CD1 4.05Å; F43-I79 HydrophobicContact CB-CG1 4.25Å; F43-I79 WeakPolarHBondContact CD2-O 3.06Å; F43-E490 CarbonylContact O-C 3.52Å; F43-E490 WeakPolarHBondContact O-CA 3.16Å; F43-E490 WeakPolarHBondContact O-CB 3.24Å; F43-V491 HydrophobicContact CB-CB 4.45Å; F43-V491 PolarHBondContact N-O 2.03Å; F43-V491 PolarHBondContact O-N 3.38Å |
| 44 | S | 96.8 | Very high | 92.7 | Very high | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | trans | -154.4 | 153.5 | 170.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | S489 | S44-S489 WeakPolarHBondContact CB-O 3.25Š| ||
| 45 | V | 97.2 | Very high | 93 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | trans | -123.9 | 134 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | F43 G47 V48 Y51 F72 | F43-V45 HydrophobicContact CE1-CG2 4.07Å; F43-V45 HydrophobicContact CE2-CG2 4.34Å; F43-V45 HydrophobicContact CZ-CG2 3.63Å; V45-G47 PolarHBondContact O-N 2.84Å; V45-V48 HydrophobicContact CB-CB 4.28Å; V45-V48 HydrophobicContact CB-CG2 4.19Å; V45-V48 HydrophobicContact CG1-CG2 4.09Å; V45-V48 PolarHBondContact O-N 2.91Å; V45-Y51 PolarHBondContact N-OH 3.35Å; V45-Y51 PolarHBondContact O-OH 2.98Å; V45-F72 HydrophobicContact CB-CE1 4.35Å; V45-F72 HydrophobicContact CB-CZ 4.16Å; V45-F72 HydrophobicContact CG2-CE1 3.69Å; V45-F72 HydrophobicContact CG2-CZ 3.9Å | ||
| 46 | Q | 95.6 | Very high | 93.5 | Very high | 200 Ų | 200 | 48.1 Ų | 48.1 | 94% | 0.935 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 123.4 | -175.6 | -172.4 | 178.4 | 6 | 0 | 0 | 111.3 | V48 | Q46-V48 VanDerWaalsContact C-N 3.34Š|
| 47 | G | 94.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -10.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V45 F49 | V45-G47 PolarHBondContact O-N 2.84Å; G47-F49 WeakPolarHBondContact O-CD2 3.42Å; G47-F49 VanDerWaalsContact O-CE2 3.26Å; G47-F49 WeakPolarHBondContact O-CE2 3.32Å |
| 48 | V | 96.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | trans | -96.7 | 137 | 175 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | V45 Q46 Y51 A67 F72 | V45-V48 HydrophobicContact CB-CB 4.28Å; V45-V48 HydrophobicContact CB-CG2 4.19Å; V45-V48 HydrophobicContact CG1-CG2 4.09Å; V45-V48 PolarHBondContact O-N 2.91Å; Q46-V48 VanDerWaalsContact C-N 3.34Å; V48-Y51 HydrophobicContact CG1-CE1 4.1Å; V48-Y51 WeakPolarHBondContact O-CE2 3.49Å; V48-Y51 PolarHBondContact O-OH 2.84Å; V48-A67 HydrophobicContact CG1-CB 3.62Å; V48-F72 HydrophobicContact CB-CZ 4.39Å; V48-F72 HydrophobicContact CG1-CE2 3.96Å; V48-F72 HydrophobicContact CG1-CZ 3.94Å; V48-F72 HydrophobicContact CG2-CZ 4.33Å | ||
| 49 | F | 97 | Very high | 93.7 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | trans | -140.3 | 168.7 | -172.3 | -60.8 | -84.6 | 0 | 0 | 0 | 111.3 | G47 R68 R488 | G47-F49 WeakPolarHBondContact O-CD2 3.42Å; G47-F49 VanDerWaalsContact O-CE2 3.26Å; G47-F49 WeakPolarHBondContact O-CE2 3.32Å; F49-R68 WeakPolarHBondContact O-CB 3.45Å; F49-R68 PolarHBondContact O-N 2.92Å; F49-R488 CarbonylContact C-O 3.57Å; F49-R488 VanDerWaalsContact CA-O 3.3Å; F49-R488 WeakPolarHBondContact CA-O 3.28Å; F49-R488 WeakPolarHBondContact CB-O 2.99Å | ||
| 50 | N | 97.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | trans | 57.5 | 62.4 | 173.2 | -62.4 | 108 | 0 | 0 | 0 | 113.5 | S52 A67 R68 Y113 R488 | N50-S52 PolarHBondContact O-N 3.01Å; N50-S52 PolarHBondContact O-OG 2.81Å; N50-A67 WeakPolarHBondContact O-CA 3.05Å; N50-R68 HydrophobicContact CB-CB 4.42Å; N50-Y113 HydrophobicContact CB-CD1 4.23Å; N50-Y113 HydrophobicContact CB-CE1 3.78Å; N50-R488 PolarHBondContact N-O 2.84Å | ||
| 51 | Y | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -72.6 | 61.3 | 176.4 | -55.5 | -98.7 | 0 | 0 | 0 | 110.2 | F43 V45 V48 V65 A67 F72 S473 G486 S487 S489 V491 | F43-Y51 HydrophobicContact CD1-CE1 4.48Å; F43-Y51 HydrophobicContact CE1-CE1 4.31Å; V45-Y51 PolarHBondContact N-OH 3.35Å; V45-Y51 PolarHBondContact O-OH 2.98Å; V48-Y51 HydrophobicContact CG1-CE1 4.1Å; V48-Y51 WeakPolarHBondContact O-CE2 3.49Å; V48-Y51 PolarHBondContact O-OH 2.84Å; Y51-V65 HydrophobicContact CD1-CG1 3.96Å; Y51-A67 HydrophobicContact CD1-CB 3.98Å; Y51-A67 HydrophobicContact CE1-CB 4.29Å; Y51-A67 HydrophobicContact CG-CB 4.39Å; Y51-F72 HydrophobicContact CD1-CE2 4.24Å; Y51-F72 HydrophobicContact CE1-CD2 4.42Å; Y51-F72 AromaticContact CE1-CE2 3.73Å; Y51-F72 HydrophobicContact CE1-CE2 3.73Å; Y51-F72 HydrophobicContact CE1-CZ 4.37Å; Y51-S473 PolarHBondContact O-OG 3.29Å; Y51-S473 VanDerWaalsContact O-OG 3.13Å; Y51-G486 WeakPolarHBondContact O-CA 3.44Å; Y51-S487 PolarHBondContact N-O 3.36Å; Y51-S489 VanDerWaalsContact CE2-C 3.44Å; Y51-S489 WeakPolarHBondContact CE2-O 3.44Å; Y51-V491 HydrophobicContact CD1-CG2 3.89Å; Y51-V491 HydrophobicContact CG-CG2 3.95Å | ||
| 52 | S | 95.1 | Very high | 94 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | trans | -96.8 | -7.8 | -161.7 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | N50 G66 S473 | N50-S52 PolarHBondContact O-N 3.01Å; N50-S52 PolarHBondContact O-OG 2.81Å; S52-G66 PolarHBondContact N-O 3.41Å; S52-S473 WeakPolarHBondContact O-CB 3.43Å | ||
| 53 | M | 96.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 170.1 | -170.3 | 67.1 | -166.3 | 0 | 0 | 109.9 | T55 V65 G66 I114 L117 | M53-T55 WeakPolarHBondContact CE-OG1 3.37Å; M53-V65 CarbonylContact O-C 3.5Å; M53-V65 WeakPolarHBondContact O-CA 3.39Å; M53-G66 PolarHBondContact N-O 2.89Å; M53-G66 VanDerWaalsContact N-O 3.15Å; M53-G66 PolarHBondContact O-N 2.86Å; M53-I114 HydrophobicContact CB-CG2 4.46Å; M53-L117 HydrophobicContact CE-CB 4.36Å; M53-L117 WeakPolarHBondContact CE-O 3.44Å; M53-L117 HydrophobicContact CG-CB 3.79Å |
| 54 | L | 97.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.2 | 173.2 | -66.9 | 177.6 | 0 | 0 | 0 | 109.3 | L63 V65 S473 V491 | L54-L63 HydrophobicContact CB-CD1 4.48Å; L54-L63 HydrophobicContact CD2-CD1 4.41Å; L54-V65 HydrophobicContact CD2-CB 4.29Å; L54-V65 HydrophobicContact CD2-CG1 3.97Å; L54-V65 HydrophobicContact CD2-CG2 3.77Å; L54-S473 WeakPolarHBondContact CD1-OG 3.41Å; L54-S473 WeakPolarHBondContact CG-OG 3.46Å; L54-V491 HydrophobicContact CD2-CG1 4.12Å; L54-V491 HydrophobicContact CD2-CG2 4.21Å |
| 55 | T | 96.2 | Very high | 94.2 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 115 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | M53 Y64 L117 | M53-T55 WeakPolarHBondContact CE-OG1 3.37Å; T55-Y64 PolarHBondContact N-O 3.18Å; T55-Y64 PolarHBondContact O-N 2.98Å; T55-L117 PolarHBondContact OG1-O 3.32Å; T55-L117 VanDerWaalsContact OG1-O 3.05Å |
| 56 | L | 95 | Very high | 94.2 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.7 | 169.4 | -70 | 167.2 | 0 | 0 | 0 | 109.8 | E60 L63 P76 T475 I476 Y484 | L56-E60 HydrophobicContact CB-CG 4.46Å; L56-E60 HydrophobicContact CD1-CG 4.18Å; L56-L63 HydrophobicContact CD2-CB 4.23Å; L56-L63 HydrophobicContact CD2-CD1 3.93Å; L56-L63 HydrophobicContact CG-CD1 4.28Å; L56-P76 HydrophobicContact CD2-CB 4.18Å; L56-P76 HydrophobicContact CD2-CG 4.25Å; L56-T475 HydrophobicContact CD1-CG2 3.85Å; L56-T475 HydrophobicContact CG-CG2 4Å; L56-I476 WeakPolarHBondContact CD1-O 3.45Å; L56-Y484 HydrophobicContact CD1-CD2 4.45Å; L56-Y484 HydrophobicContact CD1-CE2 4.1Å; L56-Y484 HydrophobicContact CD2-CD2 4.32Å; L56-Y484 HydrophobicContact CD2-CE2 3.82Å; L56-Y484 HydrophobicContact CG-CE2 4.4Å |
| 57 | S | 90.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 166.2 | 171.4 | 80.3 | 0 | 0 | 0 | 0 | 111.4 | H59 E60 R61 V62 | S57-H59 PolarHBondContact O-N 3.31Å; S57-E60 WeakPolarHBondContact O-CA 3.49Å; S57-E60 PolarHBondContact O-N 2.03Å; S57-R61 PolarHBondContact OG-N 3.22Å; S57-V62 PolarHBondContact N-O 3.38Å; S57-V62 PolarHBondContact OG-N 3.46Å; S57-V62 VanDerWaalsContact OG-N 3.12Å |
| 58 | D | 79.5 | Confident | 94.5 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -50.2 | 135.4 | 160.5 | -59.1 | -66.2 | 0 | 0 | 0 | 110.1 | E60 S119 | D58-E60 PolarHBondContact O-N 2.93Å; D58-S119 WeakPolarHBondContact OD2-CB 3.49Å; D58-S119 PolarHBondContact OD2-OG 2.83Å |
| 59 | H | 81.9 | Confident | 94.6 | Very high | 163 Ų | 163 | 40.4 Ų | 40.4 | 76% | 0.755 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | 55.9 | 21.6 | -171 | -51.3 | -77.1 | 0 | 0 | 0 | 116.4 | S57 R61 | S57-H59 PolarHBondContact O-N 3.31Å; H59-R61 HydrophobicContact CB-CG 4.32Å; H59-R61 PolarHBondContact O-N 3.24Å; H59-R61 VanDerWaalsContact O-N 3.16Å |
| 60 | E | 87.8 | Confident | 94.6 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | 52.4 | 38.2 | 174.1 | -53.7 | -178.5 | 165.7 | 0 | 0 | 113.4 | L56 S57 D58 S477 H478 S479 K480 | L56-E60 HydrophobicContact CB-CG 4.46Å; L56-E60 HydrophobicContact CD1-CG 4.18Å; S57-E60 WeakPolarHBondContact O-CA 3.49Å; S57-E60 PolarHBondContact O-N 2.03Å; D58-E60 PolarHBondContact O-N 2.93Å; E60-S477 VanDerWaalsContact CD-OG 3.31Å; E60-S477 WeakPolarHBondContact OE1-CA 3.02Å; E60-S477 WeakPolarHBondContact OE2-CB 3.14Å; E60-S477 PolarHBondContact OE2-OG 3.18Å; E60-H478 PolarHBondContact OE1-N 2.77Å; E60-S479 WeakPolarHBondContact OE2-CB 3.1Å; E60-S479 PolarHBondContact OE2-N 3.27Å; E60-S479 PolarHBondContact OE2-OG 3.36Å; E60-K480 WeakPolarHBondContact O-CE 3.44Å |
| 61 | R | 90.6 | Very high | 94.6 | Very high | 183 Ų | 183 | 35.6 Ų | 35.6 | 69% | 0.691 | 17% | 0.169 | S | C | * | . | trans | -85.4 | -28.7 | -178.6 | -65.7 | -175.5 | 178.7 | -179.5 | 1 | 113.7 | S57 H59 P76 | S57-R61 PolarHBondContact OG-N 3.22Å; H59-R61 HydrophobicContact CB-CG 4.32Å; H59-R61 PolarHBondContact O-N 3.24Å; H59-R61 VanDerWaalsContact O-N 3.16Å; R61-P76 VanDerWaalsContact O-CD 3.26Å; R61-P76 WeakPolarHBondContact O-CD 3.14Å | ||
| 62 | V | 95.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | trans | -135.6 | 141 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | S57 Y64 A73 L83 | S57-V62 PolarHBondContact N-O 3.38Å; S57-V62 PolarHBondContact OG-N 3.46Å; S57-V62 VanDerWaalsContact OG-N 3.12Å; V62-Y64 HydrophobicContact CB-CE1 4.04Å; V62-Y64 HydrophobicContact CB-CE2 4.17Å; V62-Y64 HydrophobicContact CG1-CD1 3.71Å; V62-Y64 HydrophobicContact CG1-CE1 3.41Å; V62-Y64 VanDerWaalsContact CG1-CE1 3.41Å; V62-Y64 HydrophobicContact CG1-CE2 4.31Å; V62-Y64 HydrophobicContact CG1-CG 4.29Å; V62-A73 HydrophobicContact CG1-CB 3.74Å; V62-L83 HydrophobicContact CG1-CD1 4.34Å; V62-L83 HydrophobicContact CG2-CD1 4.03Å | ||
| 63 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.3 | 167.6 | 174.7 | 65.7 | 0 | 0 | 0 | 107.1 | L54 L56 V65 L74 P76 I79 Y484 | L54-L63 HydrophobicContact CB-CD1 4.48Å; L54-L63 HydrophobicContact CD2-CD1 4.41Å; L56-L63 HydrophobicContact CD2-CB 4.23Å; L56-L63 HydrophobicContact CD2-CD1 3.93Å; L56-L63 HydrophobicContact CG-CD1 4.28Å; L63-V65 HydrophobicContact CD2-CG2 4.46Å; L63-V65 HydrophobicContact CG-CG2 4.16Å; L63-L74 HydrophobicContact CB-CB 4.38Å; L63-L74 PolarHBondContact N-O 3.08Å; L63-L74 PolarHBondContact O-N 2.98Å; L63-P76 HydrophobicContact CB-CB 4.49Å; L63-P76 HydrophobicContact CB-CG 4.1Å; L63-I79 HydrophobicContact CD2-CG2 3.79Å; L63-Y484 HydrophobicContact CD1-CD2 4.42Å; L63-Y484 HydrophobicContact CD1-CG 4.36Å; L63-Y484 HydrophobicContact CD2-CD1 3.62Å; L63-Y484 HydrophobicContact CD2-CE1 4.19Å; L63-Y484 HydrophobicContact CD2-CG 3.8Å |
| 64 | Y | 98.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136 | 172.9 | -56.6 | -66.7 | 0 | 0 | 0 | 109.9 | T55 V62 F72 A73 L125 F145 | T55-Y64 PolarHBondContact N-O 3.18Å; T55-Y64 PolarHBondContact O-N 2.98Å; V62-Y64 HydrophobicContact CB-CE1 4.04Å; V62-Y64 HydrophobicContact CB-CE2 4.17Å; V62-Y64 HydrophobicContact CG1-CD1 3.71Å; V62-Y64 HydrophobicContact CG1-CE1 3.41Å; V62-Y64 VanDerWaalsContact CG1-CE1 3.41Å; V62-Y64 HydrophobicContact CG1-CE2 4.31Å; V62-Y64 HydrophobicContact CG1-CG 4.29Å; Y64-F72 WeakPolarHBondContact CA-O 3.42Å; Y64-A73 HydrophobicContact CD1-CB 3.93Å; Y64-A73 HydrophobicContact CE1-CB 3.98Å; Y64-L125 HydrophobicContact CD1-CD1 3.82Å; Y64-L125 HydrophobicContact CD2-CD1 3.87Å; Y64-L125 HydrophobicContact CD2-CD2 4.22Å; Y64-L125 HydrophobicContact CE1-CD1 3.75Å; Y64-L125 HydrophobicContact CE2-CD1 3.8Å; Y64-L125 HydrophobicContact CE2-CD2 3.66Å; Y64-L125 HydrophobicContact CE2-CG 4.35Å; Y64-L125 HydrophobicContact CG-CD1 3.86Å; Y64-F145 HydrophobicContact CD1-CD2 4.13Å; Y64-F145 AromaticContact CD1-CE2 3.4Å; Y64-F145 HydrophobicContact CD1-CE2 3.4Å; Y64-F145 HydrophobicContact CD1-CZ 4.03Å; Y64-F145 AromaticContact CE1-CD2 3.82Å; Y64-F145 HydrophobicContact CE1-CD2 3.82Å; Y64-F145 AromaticContact CE1-CE2 3.57Å; Y64-F145 HydrophobicContact CE1-CE2 3.57Å; Y64-F145 HydrophobicContact CG-CE2 4.49Å |
| 65 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | -178 | -174.5 | 0 | 0 | 0 | 0 | 109 | Y51 M53 L54 L63 L71 F72 L74 V491 | Y51-V65 HydrophobicContact CD1-CG1 3.96Å; M53-V65 CarbonylContact O-C 3.5Å; M53-V65 WeakPolarHBondContact O-CA 3.39Å; L54-V65 HydrophobicContact CD2-CB 4.29Å; L54-V65 HydrophobicContact CD2-CG1 3.97Å; L54-V65 HydrophobicContact CD2-CG2 3.77Å; L63-V65 HydrophobicContact CD2-CG2 4.46Å; L63-V65 HydrophobicContact CG-CG2 4.16Å; V65-L71 CarbonylContact O-C 3.59Å; V65-L71 VanDerWaalsContact O-CA 3.28Å; V65-L71 WeakPolarHBondContact O-CA 3.39Å; V65-F72 HydrophobicContact CB-CB 4.25Å; V65-F72 HydrophobicContact CB-CD2 4.26Å; V65-F72 HydrophobicContact CG1-CD2 4.39Å; V65-F72 PolarHBondContact N-O 3.18Å; V65-F72 PolarHBondContact O-N 2.83Å; V65-L74 HydrophobicContact CG2-CD1 3.75Å; V65-L74 HydrophobicContact CG2-CG 4.2Å; V65-V491 HydrophobicContact CG1-CG2 3.85Å; V65-V491 HydrophobicContact CG2-CG2 4.34Å |
| 66 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S52 M53 | S52-G66 PolarHBondContact N-O 3.41Å; M53-G66 PolarHBondContact N-O 2.89Å; M53-G66 VanDerWaalsContact N-O 3.15Å; M53-G66 PolarHBondContact O-N 2.86Å |
| 67 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -114.9 | -165.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V48 N50 Y51 T70 F72 I114 | V48-A67 HydrophobicContact CG1-CB 3.62Å; N50-A67 WeakPolarHBondContact O-CA 3.05Å; Y51-A67 HydrophobicContact CD1-CB 3.98Å; Y51-A67 HydrophobicContact CE1-CB 4.29Å; Y51-A67 HydrophobicContact CG-CB 4.39Å; A67-T70 PolarHBondContact N-O 3.12Å; A67-F72 HydrophobicContact CB-CE2 4.07Å; A67-I114 WeakPolarHBondContact O-CG1 3.39Å; A67-I114 PolarHBondContact O-N 3.06Å | ||
| 68 | R | 97.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 116.9 | 165.6 | -167.5 | -175.8 | 75 | 164.3 | -1 | 109.8 | F49 N50 T70 Q107 F111 Y113 | F49-R68 WeakPolarHBondContact O-CB 3.45Å; F49-R68 PolarHBondContact O-N 2.92Å; N50-R68 HydrophobicContact CB-CB 4.42Å; R68-T70 PolarHBondContact O-N 3.05Å; R68-Q107 PolarHBondContact NH1-O 2.92Å; R68-F111 HydrophobicContact CG-CB 3.82Å; R68-F111 HydrophobicContact CG-CD1 4.45Å; R68-F111 HydrophobicContact CG-CG 4.26Å; R68-Y113 HydrophobicContact CB-CD1 4.14Å; R68-Y113 HydrophobicContact CB-CE1 3.93Å; R68-Y113 WeakPolarHBondContact CD-OH 3.22Å; R68-Y113 HydrophobicContact CG-CD1 4.07Å; R68-Y113 HydrophobicContact CG-CD2 4.31Å; R68-Y113 HydrophobicContact CG-CE1 3.74Å; R68-Y113 HydrophobicContact CG-CE2 3.99Å; R68-Y113 HydrophobicContact CG-CG 4.35Å |
| 69 | E | 97.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 64 | 1.3 | 178.9 | -50.7 | -149.8 | 125.6 | 0 | 0 | 117.2 | W89 P90 A91 K96 F111 N112 | E69-W89 CarbonylContact O-C 3.6Å; E69-W89 PolarHBondContact O-N 2.74Å; E69-P90 HydrophobicContact CB-CB 4.05Å; E69-P90 VanDerWaalsContact CD-CB 3.49Å; E69-P90 HydrophobicContact CG-CB 4.26Å; E69-P90 WeakPolarHBondContact OE1-CA 3.02Å; E69-A91 PolarHBondContact OE1-N 3.08Å; E69-K96 WeakPolarHBondContact OE1-CE 3.28Å; E69-K96 IonicContact OE1-NZ 2.69Å; E69-K96 PolarHBondContact OE1-NZ 2.86Å; E69-K96 IonicContact OE2-NZ 2.65Å; E69-K96 PolarHBondContact OE2-NZ 3.13Å; E69-F111 HydrophobicContact CG-CB 4.09Å; E69-F111 HydrophobicContact CG-CD1 4.13Å; E69-F111 WeakPolarHBondContact OE2-CD1 3.02Å; E69-N112 WeakPolarHBondContact CA-O 3.31Å; E69-N112 HydrophobicContact CG-CB 4.27Å; E69-N112 PolarHBondContact N-O 3.39Å; E69-N112 PolarHBondContact OE1-N 2.96Å; E69-N112 VanDerWaalsContact OE1-N 3.16Å |
| 70 | T | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149 | -178 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | A67 R68 F72 Q86 I87 D88 | A67-T70 PolarHBondContact N-O 3.12Å; R68-T70 PolarHBondContact O-N 3.05Å; T70-F72 HydrophobicContact CG2-CD1 4.33Å; T70-F72 HydrophobicContact CG2-CD2 4.46Å; T70-F72 HydrophobicContact CG2-CE1 3.68Å; T70-F72 HydrophobicContact CG2-CE2 3.84Å; T70-F72 HydrophobicContact CG2-CZ 3.42Å; T70-F72 VanDerWaalsContact CG2-CZ 3.42Å; T70-Q86 HydrophobicContact CG2-CB 3.85Å; T70-Q86 HydrophobicContact CG2-CG 4.01Å; T70-I87 CarbonylContact C-O 3.59Å; T70-I87 VanDerWaalsContact CA-O 3.3Å; T70-I87 WeakPolarHBondContact CA-O 3.44Å; T70-D88 WeakPolarHBondContact CG2-OD1 3.45Å; T70-D88 PolarHBondContact OG1-OD1 2.97Å |
| 71 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.1 | 165.6 | -51 | 99.2 | 0 | 0 | 0 | 111.9 | V65 Q86 I87 W89 I114 L117 I140 F145 | V65-L71 CarbonylContact O-C 3.59Å; V65-L71 VanDerWaalsContact O-CA 3.28Å; V65-L71 WeakPolarHBondContact O-CA 3.39Å; L71-Q86 WeakPolarHBondContact O-CA 3.39Å; L71-I87 HydrophobicContact CB-CB 4.28Å; L71-I87 HydrophobicContact CD1-CB 3.96Å; L71-I87 HydrophobicContact CD1-CG2 3.95Å; L71-I87 PolarHBondContact N-O 3.18Å; L71-I87 PolarHBondContact O-N 3.21Å; L71-W89 HydrophobicContact CD1-CB 4.38Å; L71-W89 HydrophobicContact CD1-CE3 4.24Å; L71-I114 HydrophobicContact CD1-CD1 4.09Å; L71-I114 HydrophobicContact CD1-CG1 4.42Å; L71-I114 HydrophobicContact CD2-CD1 4.29Å; L71-I114 HydrophobicContact CD2-CG1 4.19Å; L71-I114 HydrophobicContact CD2-CG2 4.17Å; L71-I114 HydrophobicContact CG-CD1 4.21Å; L71-I114 HydrophobicContact CG-CG1 4.04Å; L71-L117 HydrophobicContact CD2-CD1 3.9Å; L71-L117 HydrophobicContact CD2-CD2 4.03Å; L71-I140 HydrophobicContact CD2-CD1 3.9Å; L71-F145 HydrophobicContact CB-CE1 4.26Å; L71-F145 HydrophobicContact CB-CZ 4.05Å |
| 72 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 157.5 | 179.1 | -50.6 | -85.4 | 0 | 0 | 0 | 112.1 | F43 V45 V48 Y51 Y64 V65 A67 T70 L74 Q86 | F43-F72 HydrophobicContact CE1-CB 4.43Å; F43-F72 AromaticContact CE1-CD1 3.94Å; F43-F72 HydrophobicContact CE1-CD1 3.94Å; F43-F72 AromaticContact CE1-CD2 4Å; F43-F72 HydrophobicContact CE1-CD2 4Å; F43-F72 HydrophobicContact CE1-CE1 4.14Å; F43-F72 HydrophobicContact CE1-CE2 4.19Å; F43-F72 AromaticContact CE1-CG 3.85Å; F43-F72 HydrophobicContact CE1-CG 3.85Å; F43-F72 HydrophobicContact CE1-CZ 4.25Å; F43-F72 HydrophobicContact CZ-CB 4.5Å; F43-F72 AromaticContact CZ-CD1 3.66Å; F43-F72 HydrophobicContact CZ-CD1 3.66Å; F43-F72 AromaticContact CZ-CE1 3.93Å; F43-F72 HydrophobicContact CZ-CE1 3.93Å; F43-F72 AromaticContact CZ-CG 3.99Å; F43-F72 HydrophobicContact CZ-CG 3.99Å; F43-F72 HydrophobicContact CZ-CZ 4.47Å; V45-F72 HydrophobicContact CB-CE1 4.35Å; V45-F72 HydrophobicContact CB-CZ 4.16Å; V45-F72 HydrophobicContact CG2-CE1 3.69Å; V45-F72 HydrophobicContact CG2-CZ 3.9Å; V48-F72 HydrophobicContact CB-CZ 4.39Å; V48-F72 HydrophobicContact CG1-CE2 3.96Å; V48-F72 HydrophobicContact CG1-CZ 3.94Å; V48-F72 HydrophobicContact CG2-CZ 4.33Å; Y51-F72 HydrophobicContact CD1-CE2 4.24Å; Y51-F72 HydrophobicContact CE1-CD2 4.42Å; Y51-F72 AromaticContact CE1-CE2 3.73Å; Y51-F72 HydrophobicContact CE1-CE2 3.73Å; Y51-F72 HydrophobicContact CE1-CZ 4.37Å; Y64-F72 WeakPolarHBondContact CA-O 3.42Å; V65-F72 HydrophobicContact CB-CB 4.25Å; V65-F72 HydrophobicContact CB-CD2 4.26Å; V65-F72 HydrophobicContact CG1-CD2 4.39Å; V65-F72 PolarHBondContact N-O 3.18Å; V65-F72 PolarHBondContact O-N 2.83Å; A67-F72 HydrophobicContact CB-CE2 4.07Å; T70-F72 HydrophobicContact CG2-CD1 4.33Å; T70-F72 HydrophobicContact CG2-CD2 4.46Å; T70-F72 HydrophobicContact CG2-CE1 3.68Å; T70-F72 HydrophobicContact CG2-CE2 3.84Å; T70-F72 HydrophobicContact CG2-CZ 3.42Å; T70-F72 VanDerWaalsContact CG2-CZ 3.42Å; F72-L74 HydrophobicContact CB-CD2 4.05Å; F72-L74 HydrophobicContact CB-CG 4.33Å; F72-Q86 HydrophobicContact CD1-CB 3.8Å; F72-Q86 HydrophobicContact CE1-CB 3.86Å |
| 73 | A | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 108.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V62 Y64 L83 R84 F145 | V62-A73 HydrophobicContact CG1-CB 3.74Å; Y64-A73 HydrophobicContact CD1-CB 3.93Å; Y64-A73 HydrophobicContact CE1-CB 3.98Å; A73-L83 PolarHBondContact O-N 3.01Å; A73-R84 HydrophobicContact CB-CB 4.16Å; A73-R84 HydrophobicContact CB-CG 4.38Å; A73-F145 HydrophobicContact CB-CD1 4.1Å; A73-F145 HydrophobicContact CB-CD2 4.12Å; A73-F145 HydrophobicContact CB-CE1 4.07Å; A73-F145 HydrophobicContact CB-CE2 4.11Å; A73-F145 HydrophobicContact CB-CG 4.12Å; A73-F145 HydrophobicContact CB-CZ 4.08Å |
| 74 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 155.7 | -172.5 | -50.6 | -179.3 | 0 | 0 | 0 | 111.5 | F43 L63 V65 F72 P76 I79 Q82 | F43-L74 HydrophobicContact CB-CD1 4.12Å; F43-L74 HydrophobicContact CD1-CD1 3.7Å; F43-L74 HydrophobicContact CD1-CD2 4.3Å; F43-L74 HydrophobicContact CD2-CD1 4.15Å; F43-L74 HydrophobicContact CD2-CD2 3.82Å; F43-L74 HydrophobicContact CE1-CD1 4.15Å; F43-L74 HydrophobicContact CE1-CD2 4.07Å; F43-L74 HydrophobicContact CE2-CD2 3.57Å; F43-L74 HydrophobicContact CG-CD1 3.7Å; F43-L74 HydrophobicContact CG-CD2 4.19Å; F43-L74 HydrophobicContact CZ-CD2 3.71Å; L63-L74 HydrophobicContact CB-CB 4.38Å; L63-L74 PolarHBondContact N-O 3.08Å; L63-L74 PolarHBondContact O-N 2.98Å; V65-L74 HydrophobicContact CG2-CD1 3.75Å; V65-L74 HydrophobicContact CG2-CG 4.2Å; F72-L74 HydrophobicContact CB-CD2 4.05Å; F72-L74 HydrophobicContact CB-CG 4.33Å; L74-P76 WeakPolarHBondContact O-CD 3.43Å; L74-I79 HydrophobicContact CD1-CB 4.2Å; L74-Q82 HydrophobicContact CD2-CB 4.01Å; L74-Q82 HydrophobicContact CD2-CG 4.27Å |
| 75 | D | 96.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.2 | 173.3 | -166.4 | -35.4 | 0 | 0 | 0 | 109.4 | N77 D78 I79 R81 L83 | D75-N77 PolarHBondContact O-N 3.47Å; D75-N77 VanDerWaalsContact O-N 3.11Å; D75-N77 WeakPolarHBondContact OD1-CB 3.22Å; D75-N77 PolarHBondContact OD1-N 3.45Å; D75-N77 PolarHBondContact OD1-ND2 3.1Å; D75-D78 CarbonylContact O-C 3.57Å; D75-D78 PolarHBondContact O-N 3.31Å; D75-D78 VanDerWaalsContact O-N 3.07Å; D75-D78 VanDerWaalsContact O-O 3.09Å; D75-I79 PolarHBondContact O-N 2.8Å; D75-R81 HydrophobicContact CB-CB 4.04Å; D75-R81 HydrophobicContact CB-CG 4.33Å; D75-R81 WeakPolarHBondContact CB-O 3.49Å; D75-R81 PolarHBondContact N-O 2.92Å; D75-R81 IonicContact OD2-CZ 2.74Å; D75-R81 IonicContact OD2-NH1 2.74Å; D75-R81 PolarHBondContact OD2-NH1 2.03Å; D75-L83 HydrophobicContact CB-CD1 4.15Å; D75-L83 HydrophobicContact CB-CD2 3.9Å; D75-L83 HydrophobicContact CB-CG 3.9Å |
| 76 | P | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.9 | -177.4 | -18.3 | 32.1 | 0 | 0 | 0 | 113.7 | L56 R61 L63 L74 K480 Y484 Q493 | L56-P76 HydrophobicContact CD2-CB 4.18Å; L56-P76 HydrophobicContact CD2-CG 4.25Å; R61-P76 VanDerWaalsContact O-CD 3.26Å; R61-P76 WeakPolarHBondContact O-CD 3.14Å; L63-P76 HydrophobicContact CB-CB 4.49Å; L63-P76 HydrophobicContact CB-CG 4.1Å; L74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-K480 HydrophobicContact CB-CD 3.87Å; P76-Y484 HydrophobicContact CB-CE1 4.46Å; P76-Y484 WeakPolarHBondContact CB-OH 3.25Å; P76-Y484 PolarHBondContact O-OH 2.85Å; P76-Q493 PolarHBondContact O-NE2 3.28Å |
| 77 | N | 94.5 | Very high | 96.5 | Very high | 85 Ų | 85 | 40.7 Ų | 40.7 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -29 | 172.9 | -47.1 | -77.7 | 0 | 0 | 0 | 111.5 | D75 K480 Q493 | D75-N77 PolarHBondContact O-N 3.47Å; D75-N77 VanDerWaalsContact O-N 3.11Å; D75-N77 WeakPolarHBondContact OD1-CB 3.22Å; D75-N77 PolarHBondContact OD1-N 3.45Å; D75-N77 PolarHBondContact OD1-ND2 3.1Å; N77-K480 PolarHBondContact OD1-NZ 2.92Å; N77-Q493 PolarHBondContact O-NE2 2.93Å |
| 78 | D | 94.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 96.1 | 179.7 | 169.9 | 12.2 | 0 | 0 | 0 | 109.3 | D75 S80 R81 | D75-D78 CarbonylContact O-C 3.57Å; D75-D78 PolarHBondContact O-N 3.31Å; D75-D78 VanDerWaalsContact O-N 3.07Å; D75-D78 VanDerWaalsContact O-O 3.09Å; D78-S80 VanDerWaalsContact CG-OG 3.3Å; D78-S80 PolarHBondContact O-N 3.48Å; D78-S80 VanDerWaalsContact O-N 3.09Å; D78-S80 VanDerWaalsContact OD1-CB 3.32Å; D78-S80 WeakPolarHBondContact OD1-CB 3.48Å; D78-S80 PolarHBondContact OD1-N 2.73Å; D78-S80 VanDerWaalsContact OD1-N 3.07Å; D78-S80 PolarHBondContact OD1-OG 2.71Å; D78-S80 PolarHBondContact OD2-OG 3.02Å; D78-R81 WeakPolarHBondContact O-CB 3.44Å; D78-R81 PolarHBondContact O-N 3.28Å |
| 79 | I | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | -13.5 | -174.8 | 63.4 | 164.8 | 0 | 0 | 0 | 114.1 | A41 F43 L63 L74 D75 R81 Y484 V491 L492 Q493 | A41-I79 HydrophobicContact CB-CG1 4.28Å; F43-I79 HydrophobicContact CB-CB 4.45Å; F43-I79 HydrophobicContact CB-CD1 4.05Å; F43-I79 HydrophobicContact CB-CG1 4.25Å; F43-I79 WeakPolarHBondContact CD2-O 3.06Å; L63-I79 HydrophobicContact CD2-CG2 3.79Å; L74-I79 HydrophobicContact CD1-CB 4.2Å; D75-I79 PolarHBondContact O-N 2.8Å; I79-R81 PolarHBondContact O-N 2.86Å; I79-Y484 HydrophobicContact CG2-CD1 3.9Å; I79-Y484 HydrophobicContact CG2-CE1 3.98Å; I79-V491 HydrophobicContact CD1-CB 4.25Å; I79-V491 HydrophobicContact CD1-CG1 3.95Å; I79-V491 VanDerWaalsContact CD1-O 3.3Å; I79-V491 WeakPolarHBondContact CD1-O 3.16Å; I79-L492 VanDerWaalsContact CD1-C 3.48Å; I79-Q493 HydrophobicContact CB-CB 4.46Å; I79-Q493 HydrophobicContact CD1-CB 3.72Å; I79-Q493 HydrophobicContact CG1-CB 3.74Å; I79-Q493 HydrophobicContact CG2-CB 3.96Å; I79-Q493 HydrophobicContact CG2-CG 4.46Å |
| 80 | S | 93.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -23.8 | 172.7 | 77.9 | 0 | 0 | 0 | 0 | 111.5 | D78 Q82 | D78-S80 VanDerWaalsContact CG-OG 3.3Å; D78-S80 PolarHBondContact O-N 3.48Å; D78-S80 VanDerWaalsContact O-N 3.09Å; D78-S80 VanDerWaalsContact OD1-CB 3.32Å; D78-S80 WeakPolarHBondContact OD1-CB 3.48Å; D78-S80 PolarHBondContact OD1-N 2.73Å; D78-S80 VanDerWaalsContact OD1-N 3.07Å; D78-S80 PolarHBondContact OD1-OG 2.71Å; D78-S80 PolarHBondContact OD2-OG 3.02Å; S80-Q82 PolarHBondContact O-N 3.17Å |
| 81 | R | 95 | Very high | 96.3 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 101.4 | 178.5 | -172.4 | -172.1 | -176.1 | -153 | 7.9 | 111.5 | D75 D78 I79 | D75-R81 HydrophobicContact CB-CB 4.04Å; D75-R81 HydrophobicContact CB-CG 4.33Å; D75-R81 WeakPolarHBondContact CB-O 3.49Å; D75-R81 PolarHBondContact N-O 2.92Å; D75-R81 IonicContact OD2-CZ 2.74Å; D75-R81 IonicContact OD2-NH1 2.74Å; D75-R81 PolarHBondContact OD2-NH1 2.03Å; D78-R81 WeakPolarHBondContact O-CB 3.44Å; D78-R81 PolarHBondContact O-N 3.28Å; I79-R81 PolarHBondContact O-N 2.86Å |
| 82 | Q | 95.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128.4 | 167.4 | -178.7 | 166.9 | -19.7 | 0 | 0 | 111.1 | L74 S80 R84 Q86 | L74-Q82 HydrophobicContact CD2-CB 4.01Å; L74-Q82 HydrophobicContact CD2-CG 4.27Å; S80-Q82 PolarHBondContact O-N 3.17Å; Q82-R84 WeakPolarHBondContact CG-O 3.42Å; Q82-R84 PolarHBondContact NE2-O 3.15Å; Q82-Q86 VanDerWaalsContact NE2-N 3.15Å |
| 83 | L | 95.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | trans | -91.5 | -19.5 | -173.9 | -72.1 | 179.7 | 0 | 0 | 0 | 114.6 | V62 A73 D75 | V62-L83 HydrophobicContact CG1-CD1 4.34Å; V62-L83 HydrophobicContact CG2-CD1 4.03Å; A73-L83 PolarHBondContact O-N 3.01Å; D75-L83 HydrophobicContact CB-CD1 4.15Å; D75-L83 HydrophobicContact CB-CD2 3.9Å; D75-L83 HydrophobicContact CB-CG 3.9Å | ||
| 84 | R | 94.7 | Very high | 96 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -147.7 | 155.3 | -179.2 | -63 | -66.4 | -173.7 | -79 | -3.9 | 110.2 | A73 Q82 D143 F145 | A73-R84 HydrophobicContact CB-CB 4.16Å; A73-R84 HydrophobicContact CB-CG 4.38Å; Q82-R84 WeakPolarHBondContact CG-O 3.42Å; Q82-R84 PolarHBondContact NE2-O 3.15Å; R84-D143 PolarHBondContact NE-O 2.78Å; R84-D143 PolarHBondContact NH2-O 3.4Å; R84-D143 VanDerWaalsContact NH2-O 3.14Å; R84-F145 HydrophobicContact CB-CB 3.63Å; R84-F145 HydrophobicContact CB-CD1 4.33Å; R84-F145 HydrophobicContact CB-CG 4.23Å; R84-F145 HydrophobicContact CG-CB 3.83Å |
| 85 | P | 95.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | trans | -50.7 | 149.9 | 171.3 | -25.2 | 35.3 | 0 | 0 | 0 | 112.2 | F145 | P85-F145 WeakPolarHBondContact O-CD1 3.18Š| ||
| 86 | Q | 96.6 | Very high | 96 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | trans | -73.6 | 151.5 | 178.1 | 72.3 | -170.9 | 53.3 | 0 | 0 | 111 | T70 L71 F72 Q82 D88 | T70-Q86 HydrophobicContact CG2-CB 3.85Å; T70-Q86 HydrophobicContact CG2-CG 4.01Å; L71-Q86 WeakPolarHBondContact O-CA 3.39Å; F72-Q86 HydrophobicContact CD1-CB 3.8Å; F72-Q86 HydrophobicContact CE1-CB 3.86Å; Q82-Q86 VanDerWaalsContact NE2-N 3.15Å; Q86-D88 PolarHBondContact NE2-OD1 2.7Å; Q86-D88 PolarHBondContact NE2-OD2 3.18Å | ||
| 87 | I | 97.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 107.2 | 170.8 | -58.2 | 169.2 | 0 | 0 | 0 | 107.6 | T70 L71 W89 I140 F145 L147 | T70-I87 CarbonylContact C-O 3.59Å; T70-I87 VanDerWaalsContact CA-O 3.3Å; T70-I87 WeakPolarHBondContact CA-O 3.44Å; L71-I87 HydrophobicContact CB-CB 4.28Å; L71-I87 HydrophobicContact CD1-CB 3.96Å; L71-I87 HydrophobicContact CD1-CG2 3.95Å; L71-I87 PolarHBondContact N-O 3.18Å; L71-I87 PolarHBondContact O-N 3.21Å; I87-W89 HydrophobicContact CG2-CB 4.43Å; I87-W89 PolarHBondContact O-N 2.95Å; I87-I140 HydrophobicContact CD1-CB 4.39Å; I87-I140 HydrophobicContact CD1-CD1 3.87Å; I87-I140 HydrophobicContact CD1-CG1 3.93Å; I87-I140 HydrophobicContact CD1-CG2 3.57Å; I87-F145 HydrophobicContact CD1-CD1 3.65Å; I87-F145 HydrophobicContact CD1-CD2 4.29Å; I87-F145 HydrophobicContact CD1-CE1 3.6Å; I87-F145 HydrophobicContact CD1-CE2 4.23Å; I87-F145 HydrophobicContact CD1-CG 4.01Å; I87-F145 HydrophobicContact CD1-CZ 3.91Å; I87-F145 VanDerWaalsContact CD1-O 3.27Å; I87-F145 WeakPolarHBondContact CD1-O 3.13Å; I87-F145 HydrophobicContact CG1-CD1 3.66Å; I87-F145 HydrophobicContact CG1-CE1 3.71Å; I87-F145 HydrophobicContact CG1-CG 4.4Å; I87-F145 HydrophobicContact CG1-CZ 4.49Å; I87-F145 WeakPolarHBondContact CG1-O 3.34Å; I87-L147 HydrophobicContact CD1-CB 4.28Å; I87-L147 HydrophobicContact CG2-CB 3.89Å; I87-L147 HydrophobicContact CG2-CD1 4.35Å |
| 88 | D | 97.2 | Very high | 96.2 | Very high | 99 Ų | 99 | 67.4 Ų | 67.4 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 115.4 | 168.1 | -64.3 | -44.5 | 0 | 0 | 0 | 109.5 | T70 Q86 | T70-D88 WeakPolarHBondContact CG2-OD1 3.45Å; T70-D88 PolarHBondContact OG1-OD1 2.97Å; Q86-D88 PolarHBondContact NE2-OD1 2.7Å; Q86-D88 PolarHBondContact NE2-OD2 3.18Å |
| 89 | W | 97.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | trans | -129.3 | 63.4 | 179.1 | -172.1 | 29 | 0 | 0 | 0 | 110.9 | E69 L71 I87 N112 I114 T127 Y131 K136 L147 L152 | E69-W89 CarbonylContact O-C 3.6Å; E69-W89 PolarHBondContact O-N 2.74Å; L71-W89 HydrophobicContact CD1-CB 4.38Å; L71-W89 HydrophobicContact CD1-CE3 4.24Å; I87-W89 HydrophobicContact CG2-CB 4.43Å; I87-W89 PolarHBondContact O-N 2.95Å; W89-N112 VanDerWaalsContact CD2-ND2 3.34Å; W89-N112 WeakPolarHBondContact O-CB 3.47Å; W89-N112 PolarHBondContact O-ND2 2.84Å; W89-I114 HydrophobicContact CE3-CD1 3.49Å; W89-I114 VanDerWaalsContact CE3-CD1 3.49Å; W89-I114 HydrophobicContact CZ3-CD1 3.69Å; W89-T127 HydrophobicContact CE3-CG2 4.29Å; W89-T127 HydrophobicContact CH2-CG2 4.23Å; W89-T127 HydrophobicContact CZ3-CG2 3.64Å; W89-Y131 AromaticContact CD1-CE2 3.98Å; W89-Y131 AromaticContact NE1-CE2 3.49Å; W89-K136 WeakPolarHBondContact CH2-O 3.14Å; W89-K136 HydrophobicContact CZ2-CB 4.07Å; W89-L147 HydrophobicContact CD2-CD1 4.06Å; W89-L147 HydrophobicContact CE3-CD1 4.09Å; W89-L147 HydrophobicContact CG-CD1 4.43Å; W89-L152 HydrophobicContact CZ2-CD2 3.62Å | ||
| 90 | P | 97 | Very high | 96.4 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 158.8 | 177.9 | 31.8 | -36.9 | 0 | 0 | 0 | 112.8 | E69 | E69-P90 HydrophobicContact CB-CB 4.05Å; E69-P90 VanDerWaalsContact CD-CB 3.49Å; E69-P90 HydrophobicContact CG-CB 4.26Å; E69-P90 WeakPolarHBondContact OE1-CA 3.02Å |
| 91 | A | 96.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 133.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | E69 K96 N112 Y131 A132 | E69-A91 PolarHBondContact OE1-N 3.08Å; A91-K96 HydrophobicContact CB-CG 4.11Å; A91-K96 WeakPolarHBondContact O-CD 3.41Å; A91-K96 WeakPolarHBondContact O-CE 3.04Å; A91-N112 HydrophobicContact CB-CB 4.39Å; A91-Y131 HydrophobicContact CB-CD2 4.5Å; A91-A132 HydrophobicContact CB-CB 3.62Å |
| 92 | P | 95.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 66.4 Ų | 66.4 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 152.2 | 178.4 | -29.9 | 37 | 0 | 0 | 0 | 114.5 | D94 K95 K96 Y131 | P92-D94 VanDerWaalsContact C-N 3.34Å; P92-D94 WeakPolarHBondContact CB-OD1 3.5Å; P92-D94 PolarHBondContact O-N 2.96Å; P92-K95 HydrophobicContact CB-CB 4.49Å; P92-K95 HydrophobicContact CB-CG 4.31Å; P92-K95 CarbonylContact O-C 3.51Å; P92-K95 WeakPolarHBondContact O-CA 3.36Å; P92-K95 PolarHBondContact O-N 2.86Å; P92-K96 WeakPolarHBondContact O-CG 3.37Å; P92-K96 PolarHBondContact O-N 3.22Å; P92-Y131 VanDerWaalsContact CD-OH 3.27Å; P92-Y131 WeakPolarHBondContact CD-OH 3.43Å; P92-Y131 HydrophobicContact CG-CE1 4.32Å; P92-Y131 WeakPolarHBondContact CG-OH 3.32Å |
| 93 | Q | 96.6 | Very high | 96.6 | Very high | 130 Ų | 130 | 66.7 Ų | 66.7 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.5 | -24.3 | -171.6 | -64 | -65.8 | -7.9 | 0 | 0 | 114 | R97 | Q93-R97 WeakPolarHBondContact O-CB 3.15Å; Q93-R97 VanDerWaalsContact O-CG 3.29Å; Q93-R97 WeakPolarHBondContact O-CG 3.19Å; Q93-R97 PolarHBondContact O-N 3.17Å; Q93-R97 PolarHBondContact O-NE 2.82Å |
| 94 | D | 96.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 43% | 0.428 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 163.1 | 58.9 | -62 | 0 | 0 | 0 | 111.3 | P92 K96 R97 E98 | P92-D94 VanDerWaalsContact C-N 3.34Å; P92-D94 WeakPolarHBondContact CB-OD1 3.5Å; P92-D94 PolarHBondContact O-N 2.96Å; D94-K96 PolarHBondContact O-N 2.76Å; D94-R97 WeakPolarHBondContact O-CB 3.19Å; D94-R97 PolarHBondContact O-N 3.45Å; D94-R97 VanDerWaalsContact O-N 3.14Å; D94-E98 PolarHBondContact O-N 3.45Å |
| 95 | K | 96.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 179.6 | -60.4 | -44.3 | -165.5 | 152.6 | 0 | 113.5 | P92 E98 C99 | P92-K95 HydrophobicContact CB-CB 4.49Å; P92-K95 HydrophobicContact CB-CG 4.31Å; P92-K95 CarbonylContact O-C 3.51Å; P92-K95 WeakPolarHBondContact O-CA 3.36Å; P92-K95 PolarHBondContact O-N 2.86Å; K95-E98 WeakPolarHBondContact CD-OE2 3.33Å; K95-E98 IonicContact NZ-OE2 3.49Å; K95-E98 PolarHBondContact NZ-OE2 3.17Å; K95-E98 PolarHBondContact O-N 3.43Å; K95-C99 WeakPolarHBondContact O-CB 3.47Å; K95-C99 PolarHBondContact O-N 2.74Å |
| 96 | K | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 65 Ų | 65 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 169 | -68.2 | -173.3 | 168.8 | 166.6 | 0 | 111.7 | E69 A91 P92 D94 C99 V100 C110 A132 | E69-K96 WeakPolarHBondContact OE1-CE 3.28Å; E69-K96 IonicContact OE1-NZ 2.69Å; E69-K96 PolarHBondContact OE1-NZ 2.86Å; E69-K96 IonicContact OE2-NZ 2.65Å; E69-K96 PolarHBondContact OE2-NZ 3.13Å; A91-K96 HydrophobicContact CB-CG 4.11Å; A91-K96 WeakPolarHBondContact O-CD 3.41Å; A91-K96 WeakPolarHBondContact O-CE 3.04Å; P92-K96 WeakPolarHBondContact O-CG 3.37Å; P92-K96 PolarHBondContact O-N 3.22Å; D94-K96 PolarHBondContact O-N 2.76Å; K96-C99 PolarHBondContact O-N 2.81Å; K96-V100 VanDerWaalsContact O-CG2 3.29Å; K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.1Å; K96-C110 WeakPolarHBondContact CE-O 3.46Å; K96-C110 WeakPolarHBondContact CG-O 3.31Å; K96-A132 HydrophobicContact CG-CB 4.33Å |
| 97 | R | 97.6 | Very high | 96.3 | Very high | 174 Ų | 174 | 68.7 Ų | 68.7 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 174.5 | -75.8 | 175.7 | -67.6 | 162.3 | 2.3 | 112.5 | Q93 D94 V100 S101 | Q93-R97 WeakPolarHBondContact O-CB 3.15Å; Q93-R97 VanDerWaalsContact O-CG 3.29Å; Q93-R97 WeakPolarHBondContact O-CG 3.19Å; Q93-R97 PolarHBondContact O-N 3.17Å; Q93-R97 PolarHBondContact O-NE 2.82Å; D94-R97 WeakPolarHBondContact O-CB 3.19Å; D94-R97 PolarHBondContact O-N 3.45Å; D94-R97 VanDerWaalsContact O-N 3.14Å; R97-V100 PolarHBondContact O-N 3.02Å; R97-S101 WeakPolarHBondContact O-CB 3.37Å; R97-S101 PolarHBondContact O-N 2.84Å; R97-S101 PolarHBondContact O-OG 2.96Å |
| 98 | E | 97.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 71 Ų | 71 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.2 | -160.6 | -159.4 | 131.2 | 0 | 0 | 111.3 | D94 K95 V100 S101 K102 Q134 | D94-E98 PolarHBondContact O-N 3.45Å; K95-E98 WeakPolarHBondContact CD-OE2 3.33Å; K95-E98 IonicContact NZ-OE2 3.49Å; K95-E98 PolarHBondContact NZ-OE2 3.17Å; K95-E98 PolarHBondContact O-N 3.43Å; E98-V100 PolarHBondContact O-N 2.89Å; E98-S101 WeakPolarHBondContact CA-OG 3.45Å; E98-S101 PolarHBondContact O-N 2.89Å; E98-S101 PolarHBondContact O-OG 3.21Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.89Å; E98-K102 WeakPolarHBondContact OE1-CE 3.35Å; E98-K102 IonicContact OE1-NZ 2.74Å; E98-K102 PolarHBondContact OE1-NZ 2.8Å; E98-Q134 PolarHBondContact OE1-NE2 3.18Å; E98-Q134 VanDerWaalsContact OE1-NE2 3.1Å; E98-Q134 PolarHBondContact OE2-NE2 2.96Å |
| 99 | C | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 112 | K95 K96 S101 K102 K104 C110 A132 | K95-C99 WeakPolarHBondContact O-CB 3.47Å; K95-C99 PolarHBondContact O-N 2.74Å; K96-C99 PolarHBondContact O-N 2.81Å; C99-S101 PolarHBondContact O-N 2.93Å; C99-K102 PolarHBondContact O-N 3.37Å; C99-K102 VanDerWaalsContact O-N 3.11Å; C99-K104 PolarHBondContact O-N 3.29Å; C99-C110 VanDerWaalsContact C-SG 3.53Å; C99-C110 HydrophobicContact CB-CB 3.73Å; C99-C110 WeakPolarHBondContact CB-SG 3.23Å; C99-C110 WeakPolarHBondContact SG-CA 3.4Å; C99-C110 WeakPolarHBondContact SG-CB 3.17Å; C99-C110 CovalentContact SG-SG 2.04Å; C99-C110 PolarHBondContact SG-SG 2.83Å; C99-A132 HydrophobicContact CB-CB 4.11Å |
| 100 | V | 97.5 | Very high | 96 | Very high | 61 Ų | 61 | 68.1 Ų | 68.1 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | K96 R97 E98 K102 G103 N106 C110 | K96-V100 VanDerWaalsContact O-CG2 3.29Å; K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.1Å; R97-V100 PolarHBondContact O-N 3.02Å; E98-V100 PolarHBondContact O-N 2.89Å; V100-K102 PolarHBondContact O-N 2.9Å; V100-G103 PolarHBondContact O-N 3.12Å; V100-N106 HydrophobicContact CG2-CB 3.53Å; V100-C110 HydrophobicContact CG2-CB 4.22Å |
| 101 | S | 97.3 | Very high | 96.1 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -20 | 175.2 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | R97 E98 C99 G103 | R97-S101 WeakPolarHBondContact O-CB 3.37Å; R97-S101 PolarHBondContact O-N 2.84Å; R97-S101 PolarHBondContact O-OG 2.96Å; E98-S101 WeakPolarHBondContact CA-OG 3.45Å; E98-S101 PolarHBondContact O-N 2.89Å; E98-S101 PolarHBondContact O-OG 3.21Å; C99-S101 PolarHBondContact O-N 2.93Å; S101-G103 VanDerWaalsContact C-N 3.28Å |
| 102 | K | 95.6 | Very high | 96.2 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 18.3 | 171.7 | -63.2 | 173.9 | -173.1 | 175.3 | 0 | 112.8 | E98 C99 V100 F184 | E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.89Å; E98-K102 WeakPolarHBondContact OE1-CE 3.35Å; E98-K102 IonicContact OE1-NZ 2.74Å; E98-K102 PolarHBondContact OE1-NZ 2.8Å; C99-K102 PolarHBondContact O-N 3.37Å; C99-K102 VanDerWaalsContact O-N 3.11Å; V100-K102 PolarHBondContact O-N 2.9Å; K102-F184 HydrophobicContact CB-CE1 4.15Å; K102-F184 HydrophobicContact CB-CE2 4.15Å; K102-F184 HydrophobicContact CB-CZ 3.51Å; K102-F184 HydrophobicContact CD-CD2 4.36Å; K102-F184 HydrophobicContact CD-CE2 3.79Å; K102-F184 HydrophobicContact CD-CZ 3.94Å; K102-F184 HydrophobicContact CG-CZ 4.33Å |
| 103 | G | 95.6 | Very high | 96.3 | Very high | 73 Ų | 73 | 65 Ų | 65 | 75% | 0.753 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 11.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V100 S101 | V100-G103 PolarHBondContact O-N 3.12Å; S101-G103 VanDerWaalsContact C-N 3.28Å |
| 104 | K | 96.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | -93.1 | 150.7 | -178 | -70.9 | -73.9 | -175.2 | 169.8 | 0 | 112.9 | C99 E109 F133 D162 F184 | C99-K104 PolarHBondContact O-N 3.29Å; K104-E109 HydrophobicContact CB-CB 4.29Å; K104-E109 HydrophobicContact CD-CB 4.43Å; K104-E109 HydrophobicContact CD-CG 4.47Å; K104-E109 WeakPolarHBondContact CD-OE1 3.18Å; K104-E109 VanDerWaalsContact CD-OE2 3.25Å; K104-E109 WeakPolarHBondContact CD-OE2 3.45Å; K104-E109 IonicContact NZ-OE1 3.66Å; K104-E109 PolarHBondContact NZ-OE1 2.83Å; K104-F133 HydrophobicContact CD-CE1 3.85Å; K104-F133 HydrophobicContact CD-CE2 4.07Å; K104-F133 HydrophobicContact CD-CZ 3.58Å; K104-F133 HydrophobicContact CG-CD1 4.47Å; K104-F133 HydrophobicContact CG-CE1 4.28Å; K104-F133 HydrophobicContact CG-CE2 4.35Å; K104-F133 HydrophobicContact CG-CZ 4.2Å; K104-D162 IonicContact NZ-OD2 3.7Å; K104-D162 PolarHBondContact NZ-OD2 3.38Å; K104-F184 HydrophobicContact CG-CZ 4Å | ||
| 105 | N | 95.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | trans | -71.3 | 126.3 | -171 | -172.8 | -54.7 | 0 | 0 | 0 | 113 | Q107 T108 E109 C110 | N105-Q107 VanDerWaalsContact C-N 3.34Å; N105-Q107 PolarHBondContact O-N 3.33Å; N105-Q107 WeakPolarHBondContact OD1-CA 3.21Å; N105-Q107 PolarHBondContact OD1-N 2.82Å; N105-T108 WeakPolarHBondContact CB-OG1 3.34Å; N105-T108 PolarHBondContact OD1-N 2.81Å; N105-T108 PolarHBondContact OD1-OG1 3.19Å; N105-E109 HydrophobicContact CB-CB 4.11Å; N105-E109 HydrophobicContact CB-CG 4.05Å; N105-E109 VanDerWaalsContact CB-OE2 3.31Å; N105-E109 WeakPolarHBondContact CB-OE2 3.31Å; N105-E109 PolarHBondContact N-OE2 2.85Å; N105-E109 WeakPolarHBondContact O-CB 3.47Å; N105-E109 PolarHBondContact O-N 2.94Å; N105-C110 PolarHBondContact O-N 3.14Å | ||
| 106 | N | 94.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 55.5 Ų | 55.5 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.9 | -177.2 | 68.7 | -20.5 | 0 | 0 | 0 | 115.4 | V100 F111 | V100-N106 HydrophobicContact CG2-CB 3.53Å; N106-F111 VanDerWaalsContact O-CE2 3.28Å; N106-F111 WeakPolarHBondContact O-CE2 3.32Å; N106-F111 WeakPolarHBondContact O-CZ 3.36Å |
| 107 | Q | 91.1 | Very high | 96.4 | Very high | 142 Ų | 142 | 54.3 Ų | 54.3 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -24.4 | 179.6 | -67 | 176.8 | 1.9 | 0 | 0 | 113.2 | R68 N105 F111 | R68-Q107 PolarHBondContact NH1-O 2.92Å; N105-Q107 VanDerWaalsContact C-N 3.34Å; N105-Q107 PolarHBondContact O-N 3.33Å; N105-Q107 WeakPolarHBondContact OD1-CA 3.21Å; N105-Q107 PolarHBondContact OD1-N 2.82Å; Q107-F111 WeakPolarHBondContact O-CE2 3.29Å |
| 108 | T | 92.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -34.6 | -176.6 | 58.4 | 0 | 0 | 0 | 0 | 115.5 | N105 Y113 | N105-T108 WeakPolarHBondContact CB-OG1 3.34Å; N105-T108 PolarHBondContact OD1-N 2.81Å; N105-T108 PolarHBondContact OD1-OG1 3.19Å; T108-Y113 VanDerWaalsContact O-CE2 3.24Å; T108-Y113 WeakPolarHBondContact O-CE2 3.4Å; T108-Y113 PolarHBondContact O-OH 3.21Å |
| 109 | E | 95.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -42.3 | -169.6 | -74.6 | -178.4 | 116 | 0 | 0 | 113 | K104 N105 F111 F133 | K104-E109 HydrophobicContact CB-CB 4.29Å; K104-E109 HydrophobicContact CD-CB 4.43Å; K104-E109 HydrophobicContact CD-CG 4.47Å; K104-E109 WeakPolarHBondContact CD-OE1 3.18Å; K104-E109 VanDerWaalsContact CD-OE2 3.25Å; K104-E109 WeakPolarHBondContact CD-OE2 3.45Å; K104-E109 IonicContact NZ-OE1 3.66Å; K104-E109 PolarHBondContact NZ-OE1 2.83Å; N105-E109 HydrophobicContact CB-CB 4.11Å; N105-E109 HydrophobicContact CB-CG 4.05Å; N105-E109 VanDerWaalsContact CB-OE2 3.31Å; N105-E109 WeakPolarHBondContact CB-OE2 3.31Å; N105-E109 PolarHBondContact N-OE2 2.85Å; N105-E109 WeakPolarHBondContact O-CB 3.47Å; N105-E109 PolarHBondContact O-N 2.94Å; E109-F111 VanDerWaalsContact C-N 3.25Å; E109-F111 PolarHBondContact O-N 2.87Å; E109-F133 HydrophobicContact CB-CE2 3.84Å; E109-F133 HydrophobicContact CB-CZ 4.43Å; E109-F133 HydrophobicContact CG-CE2 4.45Å |
| 110 | C | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -82.9 | 58.5 | -173 | -61 | 0 | 0 | 0 | 0 | 113.7 | K96 C99 V100 N105 A132 | K96-C110 WeakPolarHBondContact CE-O 3.46Å; K96-C110 WeakPolarHBondContact CG-O 3.31Å; C99-C110 VanDerWaalsContact C-SG 3.53Å; C99-C110 HydrophobicContact CB-CB 3.73Å; C99-C110 WeakPolarHBondContact CB-SG 3.23Å; C99-C110 WeakPolarHBondContact SG-CA 3.4Å; C99-C110 WeakPolarHBondContact SG-CB 3.17Å; C99-C110 CovalentContact SG-SG 2.04Å; C99-C110 PolarHBondContact SG-SG 2.83Å; V100-C110 HydrophobicContact CG2-CB 4.22Å; N105-C110 PolarHBondContact O-N 3.14Å; C110-A132 HydrophobicContact CB-CB 4.37Å |
| 111 | F | 97.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -132.9 | 165.1 | 175.5 | -64.5 | -99 | 0 | 0 | 0 | 110.2 | R68 E69 N106 Q107 E109 Y113 T130 A132 | R68-F111 HydrophobicContact CG-CB 3.82Å; R68-F111 HydrophobicContact CG-CD1 4.45Å; R68-F111 HydrophobicContact CG-CG 4.26Å; E69-F111 HydrophobicContact CG-CB 4.09Å; E69-F111 HydrophobicContact CG-CD1 4.13Å; E69-F111 WeakPolarHBondContact OE2-CD1 3.02Å; N106-F111 VanDerWaalsContact O-CE2 3.28Å; N106-F111 WeakPolarHBondContact O-CE2 3.32Å; N106-F111 WeakPolarHBondContact O-CZ 3.36Å; Q107-F111 WeakPolarHBondContact O-CE2 3.29Å; E109-F111 VanDerWaalsContact C-N 3.25Å; E109-F111 PolarHBondContact O-N 2.87Å; F111-Y113 HydrophobicContact CB-CD2 4.16Å; F111-Y113 HydrophobicContact CB-CE2 3.84Å; F111-Y113 PolarHBondContact O-N 2.83Å; F111-T130 PolarHBondContact O-OG1 2.79Å; F111-A132 PolarHBondContact O-N 3.13Å |
| 112 | N | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -79.7 | 108.1 | 163.8 | -169.4 | 22.8 | 0 | 0 | 0 | 110.6 | E69 W89 A91 G129 T130 Y131 | E69-N112 WeakPolarHBondContact CA-O 3.31Å; E69-N112 HydrophobicContact CG-CB 4.27Å; E69-N112 PolarHBondContact N-O 3.39Å; E69-N112 PolarHBondContact OE1-N 2.96Å; E69-N112 VanDerWaalsContact OE1-N 3.16Å; W89-N112 VanDerWaalsContact CD2-ND2 3.34Å; W89-N112 WeakPolarHBondContact O-CB 3.47Å; W89-N112 PolarHBondContact O-ND2 2.84Å; A91-N112 HydrophobicContact CB-CB 4.39Å; N112-G129 VanDerWaalsContact OD1-CA 3.28Å; N112-G129 WeakPolarHBondContact OD1-CA 3.34Å; N112-T130 PolarHBondContact OD1-N 2.7Å; N112-Y131 HydrophobicContact CB-CD2 4.12Å; N112-Y131 WeakPolarHBondContact OD1-CA 3.31Å; N112-Y131 PolarHBondContact OD1-N 3.22Å | ||
| 113 | Y | 98.4 | Very high | 95 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 123.3 | 168.4 | -76.2 | -94.1 | 0 | 0 | 0 | 108.9 | N50 R68 T108 F111 R115 G129 T130 P163 | N50-Y113 HydrophobicContact CB-CD1 4.23Å; N50-Y113 HydrophobicContact CB-CE1 3.78Å; R68-Y113 HydrophobicContact CB-CD1 4.14Å; R68-Y113 HydrophobicContact CB-CE1 3.93Å; R68-Y113 WeakPolarHBondContact CD-OH 3.22Å; R68-Y113 HydrophobicContact CG-CD1 4.07Å; R68-Y113 HydrophobicContact CG-CD2 4.31Å; R68-Y113 HydrophobicContact CG-CE1 3.74Å; R68-Y113 HydrophobicContact CG-CE2 3.99Å; R68-Y113 HydrophobicContact CG-CG 4.35Å; T108-Y113 VanDerWaalsContact O-CE2 3.24Å; T108-Y113 WeakPolarHBondContact O-CE2 3.4Å; T108-Y113 PolarHBondContact O-OH 3.21Å; F111-Y113 HydrophobicContact CB-CD2 4.16Å; F111-Y113 HydrophobicContact CB-CE2 3.84Å; F111-Y113 PolarHBondContact O-N 2.83Å; Y113-R115 PolarHBondContact O-N 3.16Å; Y113-G129 CarbonylContact O-C 3.55Å; Y113-G129 WeakPolarHBondContact O-CA 3.47Å; Y113-T130 PolarHBondContact N-OG1 2.75Å; Y113-T130 PolarHBondContact O-N 2.9Å; Y113-P163 HydrophobicContact CD1-CB 4.29Å; Y113-P163 HydrophobicContact CD2-CB 3.63Å; Y113-P163 HydrophobicContact CD2-CG 3.92Å; Y113-P163 HydrophobicContact CE2-CB 4.14Å; Y113-P163 HydrophobicContact CE2-CG 4.08Å; Y113-P163 HydrophobicContact CG-CB 3.72Å |
| 114 | I | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125 | 173.1 | -53.9 | -57.9 | 0 | 0 | 0 | 108.9 | M53 A67 L71 W89 | M53-I114 HydrophobicContact CB-CG2 4.46Å; A67-I114 WeakPolarHBondContact O-CG1 3.39Å; A67-I114 PolarHBondContact O-N 3.06Å; L71-I114 HydrophobicContact CD1-CD1 4.09Å; L71-I114 HydrophobicContact CD1-CG1 4.42Å; L71-I114 HydrophobicContact CD2-CD1 4.29Å; L71-I114 HydrophobicContact CD2-CG1 4.19Å; L71-I114 HydrophobicContact CD2-CG2 4.17Å; L71-I114 HydrophobicContact CG-CD1 4.21Å; L71-I114 HydrophobicContact CG-CG1 4.04Å; W89-I114 HydrophobicContact CE3-CD1 3.49Å; W89-I114 VanDerWaalsContact CE3-CD1 3.49Å; W89-I114 HydrophobicContact CZ3-CD1 3.69Å |
| 115 | R | 97.3 | Very high | 95 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | -15.6 | -179 | -57.7 | -64.8 | -77.7 | -176.9 | -11.8 | 113 | Y113 C128 T130 P160 P163 K165 H167 | Y113-R115 PolarHBondContact O-N 3.16Å; R115-C128 PolarHBondContact N-O 3.37Å; R115-T130 HydrophobicContact CG-CG2 3.9Å; R115-P160 HydrophobicContact CB-CG 4.38Å; R115-P160 HydrophobicContact CG-CG 4.02Å; R115-P163 PolarHBondContact NH1-O 2.92Å; R115-P163 PolarHBondContact NH2-O 3.06Å; R115-P163 VanDerWaalsContact NH2-O 3.08Å; R115-K165 PolarHBondContact NH2-O 3.33Å; R115-H167 PolarHBondContact O-CE1 3.46Å; R115-H167 VanDerWaalsContact O-CE1 3.27Å; R115-H167 PolarHBondContact O-ND1 3.14Å |
| 116 | F | 97.5 | Very high | 95 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.9 | 172.7 | -171.7 | -92 | 0 | 0 | 0 | 110.7 | Q118 Y126 T127 C128 I171 L176 | F116-Q118 HydrophobicContact CE1-CB 3.78Å; F116-Q118 HydrophobicContact CE2-CB 4.46Å; F116-Q118 HydrophobicContact CZ-CB 3.58Å; F116-Y126 AromaticContact CD1-CD1 3.94Å; F116-Y126 HydrophobicContact CD1-CD1 3.94Å; F116-Y126 AromaticContact CE1-CD1 3.88Å; F116-Y126 HydrophobicContact CE1-CD1 3.88Å; F116-T127 CarbonylContact O-C 3.5Å; F116-T127 VanDerWaalsContact O-CA 3.24Å; F116-T127 WeakPolarHBondContact O-CA 3.41Å; F116-T127 PolarHBondContact O-OG1 2.83Å; F116-C128 HydrophobicContact CB-CB 4.02Å; F116-C128 PolarHBondContact N-O 2.75Å; F116-C128 VanDerWaalsContact N-O 3.08Å; F116-C128 PolarHBondContact O-N 2.91Å; F116-I171 HydrophobicContact CE1-CD1 3.81Å; F116-I171 HydrophobicContact CE1-CG1 4.3Å; F116-I171 HydrophobicContact CZ-CD1 3.98Å; F116-I171 HydrophobicContact CZ-CG1 4.01Å; F116-L176 HydrophobicContact CD2-CD1 4.42Å; F116-L176 HydrophobicContact CE1-CD1 4.18Å; F116-L176 HydrophobicContact CE2-CD1 3.81Å; F116-L176 HydrophobicContact CZ-CD1 3.67Å |
| 117 | L | 97.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 119.5 | 175.8 | -174.9 | 58.5 | 0 | 0 | 0 | 107.7 | M53 T55 L71 L125 Y126 I140 | M53-L117 HydrophobicContact CE-CB 4.36Å; M53-L117 WeakPolarHBondContact CE-O 3.44Å; M53-L117 HydrophobicContact CG-CB 3.79Å; T55-L117 PolarHBondContact OG1-O 3.32Å; T55-L117 VanDerWaalsContact OG1-O 3.05Å; L71-L117 HydrophobicContact CD2-CD1 3.9Å; L71-L117 HydrophobicContact CD2-CD2 4.03Å; L117-L125 HydrophobicContact CD1-CB 4.5Å; L117-L125 HydrophobicContact CD1-CD1 4.2Å; L117-Y126 WeakPolarHBondContact CA-O 3.24Å; L117-I140 HydrophobicContact CD1-CD1 4Å |
| 118 | Q | 95.5 | Very high | 95.5 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 27% | 0.271 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 154.7 | 176.8 | -162.4 | 178.9 | -0.6 | 0 | 0 | 111.5 | F116 Y120 L125 Y126 I171 | F116-Q118 HydrophobicContact CE1-CB 3.78Å; F116-Q118 HydrophobicContact CE2-CB 4.46Å; F116-Q118 HydrophobicContact CZ-CB 3.58Å; Q118-Y120 PolarHBondContact O-N 3.46Å; Q118-L125 CarbonylContact O-C 3.54Å; Q118-L125 VanDerWaalsContact O-CA 3.24Å; Q118-L125 WeakPolarHBondContact O-CA 2.93Å; Q118-L125 WeakPolarHBondContact O-CB 2.96Å; Q118-Y126 PolarHBondContact N-O 2.98Å; Q118-Y126 PolarHBondContact O-N 3.08Å; Q118-I171 HydrophobicContact CB-CD1 4.35Å |
| 119 | S | 93.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 21% | 0.21 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 123.7 | 163.4 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | D58 | D58-S119 WeakPolarHBondContact OD2-CB 3.49Å; D58-S119 PolarHBondContact OD2-OG 2.83Å |
| 120 | Y | 92.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 27 Ų | 27 | 18% | 0.18 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -36.3 | 173.3 | 171 | -97.6 | 0 | 0 | 0 | 110.5 | Q118 H124 Y139 I171 K174 L195 | Q118-Y120 PolarHBondContact O-N 3.46Å; Y120-H124 WeakPolarHBondContact CA-O 3.28Å; Y120-H124 WeakPolarHBondContact CB-O 3.37Å; Y120-H124 PolarHBondContact N-O 2.88Å; Y120-Y139 HydrophobicContact CD1-CD1 4.01Å; Y120-Y139 AromaticContact CD1-CE1 3.65Å; Y120-Y139 HydrophobicContact CD1-CE1 3.65Å; Y120-Y139 HydrophobicContact CD2-CE1 4.02Å; Y120-Y139 HydrophobicContact CE1-CD1 4.41Å; Y120-Y139 AromaticContact CE1-CE1 3.73Å; Y120-Y139 HydrophobicContact CE1-CE1 3.73Å; Y120-Y139 HydrophobicContact CE2-CE1 4.06Å; Y120-Y139 HydrophobicContact CG-CD1 4.27Å; Y120-Y139 AromaticContact CG-CE1 3.83Å; Y120-Y139 HydrophobicContact CG-CE1 3.83Å; Y120-Y139 AromaticContact CZ-CE1 3.94Å; Y120-I171 HydrophobicContact CD2-CD1 4.1Å; Y120-I171 HydrophobicContact CD2-CG2 4.28Å; Y120-K174 HydrophobicContact CE2-CB 3.8Å; Y120-K174 HydrophobicContact CE2-CG 4.38Å; Y120-K174 WeakPolarHBondContact CE2-O 3.31Å; Y120-L195 HydrophobicContact CD2-CD1 4.42Å; Y120-L195 HydrophobicContact CE2-CD1 4.22Å |
| 121 | N | 90.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 178.7 | 164.4 | 66.2 | 60.5 | 0 | 0 | 0 | 110.2 | T123 H124 | N121-T123 PolarHBondContact O-N 2.83Å; N121-T123 PolarHBondContact OD1-N 2.89Å; N121-T123 PolarHBondContact OD1-OG1 3.1Å; N121-H124 PolarHBondContact N-O 3.17Å; N121-H124 CarbonylContact O-C 3.41Å; N121-H124 PolarHBondContact O-N 3.11Å; N121-H124 PolarHBondContact OD1-N 2.82Å |
| 122 | H | 88.8 | Confident | 95.9 | Very high | 167 Ų | 167 | 26.9 Ų | 26.9 | 77% | 0.773 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.7 | -176.9 | 64 | -91.2 | 0 | 0 | 0 | 116.6 | ||
| 123 | T | 91.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 27 Ų | 27 | 28% | 0.282 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -12.9 | 173.2 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | N121 K141 A142 | N121-T123 PolarHBondContact O-N 2.83Å; N121-T123 PolarHBondContact OD1-N 2.89Å; N121-T123 PolarHBondContact OD1-OG1 3.1Å; T123-K141 CarbonylContact O-C 3.56Å; T123-K141 WeakPolarHBondContact O-CA 3.49Å; T123-A142 PolarHBondContact O-N 3.03Å |
| 124 | H | 94.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 27.7 Ų | 27.7 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.9 | -169.9 | -67.8 | 79.3 | 0 | 0 | 0 | 113 | Y120 N121 I140 | Y120-H124 WeakPolarHBondContact CA-O 3.28Å; Y120-H124 WeakPolarHBondContact CB-O 3.37Å; Y120-H124 PolarHBondContact N-O 2.88Å; N121-H124 PolarHBondContact N-O 3.17Å; N121-H124 CarbonylContact O-C 3.41Å; N121-H124 PolarHBondContact O-N 3.11Å; N121-H124 PolarHBondContact OD1-N 2.82Å; H124-I140 CarbonylContact C-O 3.6Å; H124-I140 VanDerWaalsContact CA-O 3.28Å; H124-I140 WeakPolarHBondContact CA-O 3.2Å |
| 125 | L | 96.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 161.4 | 159.1 | -39.8 | 176.8 | 0 | 0 | 0 | 109.3 | Y64 L117 Q118 Y139 I140 F145 | Y64-L125 HydrophobicContact CD1-CD1 3.82Å; Y64-L125 HydrophobicContact CD2-CD1 3.87Å; Y64-L125 HydrophobicContact CD2-CD2 4.22Å; Y64-L125 HydrophobicContact CE1-CD1 3.75Å; Y64-L125 HydrophobicContact CE2-CD1 3.8Å; Y64-L125 HydrophobicContact CE2-CD2 3.66Å; Y64-L125 HydrophobicContact CE2-CG 4.35Å; Y64-L125 HydrophobicContact CG-CD1 3.86Å; L117-L125 HydrophobicContact CD1-CB 4.5Å; L117-L125 HydrophobicContact CD1-CD1 4.2Å; Q118-L125 CarbonylContact O-C 3.54Å; Q118-L125 VanDerWaalsContact O-CA 3.24Å; Q118-L125 WeakPolarHBondContact O-CA 2.93Å; Q118-L125 WeakPolarHBondContact O-CB 2.96Å; L125-Y139 VanDerWaalsContact O-CA 3.3Å; L125-Y139 WeakPolarHBondContact O-CA 3.22Å; L125-I140 HydrophobicContact CB-CB 4.19Å; L125-I140 HydrophobicContact CD1-CB 4.45Å; L125-I140 HydrophobicContact CD1-CG2 4.46Å; L125-I140 PolarHBondContact N-O 3.13Å; L125-I140 PolarHBondContact O-N 2.73Å; L125-F145 HydrophobicContact CD1-CE2 3.98Å |
| 126 | Y | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.5 | 166.3 | -178 | -94.5 | 0 | 0 | 0 | 109.2 | F116 L117 Q118 C128 C137 Y139 E153 K158 I171 L176 L195 | F116-Y126 AromaticContact CD1-CD1 3.94Å; F116-Y126 HydrophobicContact CD1-CD1 3.94Å; F116-Y126 AromaticContact CE1-CD1 3.88Å; F116-Y126 HydrophobicContact CE1-CD1 3.88Å; L117-Y126 WeakPolarHBondContact CA-O 3.24Å; Q118-Y126 PolarHBondContact N-O 2.98Å; Q118-Y126 PolarHBondContact O-N 3.08Å; Y126-C128 WeakPolarHBondContact CE1-SG 3.41Å; Y126-C137 HydrophobicContact CE1-CB 3.99Å; Y126-C137 HydrophobicContact CE2-CB 4.05Å; Y126-C137 VanDerWaalsContact CZ-CB 3.45Å; Y126-C137 WeakPolarHBondContact OH-CB 3.3Å; Y126-C137 PolarHBondContact OH-SG 3.28Å; Y126-C137 VanDerWaalsContact OH-SG 3.33Å; Y126-Y139 AromaticContact CD2-CD1 3.8Å; Y126-Y139 HydrophobicContact CD2-CD1 3.8Å; Y126-Y139 HydrophobicContact CD2-CD2 4.34Å; Y126-Y139 AromaticContact CD2-CE1 3.5Å; Y126-Y139 HydrophobicContact CD2-CE1 3.5Å; Y126-Y139 VanDerWaalsContact CD2-CE1 3.5Å; Y126-Y139 HydrophobicContact CD2-CE2 4.06Å; Y126-Y139 HydrophobicContact CD2-CG 4.2Å; Y126-Y139 AromaticContact CD2-CZ 3.62Å; Y126-Y139 HydrophobicContact CE2-CE1 4.24Å; Y126-Y139 HydrophobicContact CE2-CE2 4.14Å; Y126-Y139 AromaticContact CE2-CZ 3.88Å; Y126-Y139 HydrophobicContact CG-CE1 4.36Å; Y126-E153 PolarHBondContact OH-OE2 3.02Å; Y126-K158 WeakPolarHBondContact OH-CD 3.48Å; Y126-K158 PolarHBondContact OH-NZ 2.85Å; Y126-K158 VanDerWaalsContact OH-NZ 3.07Å; Y126-I171 HydrophobicContact CD1-CD1 4.29Å; Y126-I171 HydrophobicContact CG-CD1 4.39Å; Y126-L176 HydrophobicContact CE1-CD2 3.85Å; Y126-L195 HydrophobicContact CD1-CD1 4.18Å; Y126-L195 HydrophobicContact CD2-CD1 4.04Å; Y126-L195 HydrophobicContact CE1-CD1 3.96Å; Y126-L195 HydrophobicContact CE2-CD1 3.78Å; Y126-L195 HydrophobicContact CE2-CD2 4.09Å; Y126-L195 HydrophobicContact CG-CD1 4.21Å |
| 127 | T | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.6 | -176.7 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | W89 F116 C137 N138 I140 L147 | W89-T127 HydrophobicContact CE3-CG2 4.29Å; W89-T127 HydrophobicContact CH2-CG2 4.23Å; W89-T127 HydrophobicContact CZ3-CG2 3.64Å; F116-T127 CarbonylContact O-C 3.5Å; F116-T127 VanDerWaalsContact O-CA 3.24Å; F116-T127 WeakPolarHBondContact O-CA 3.41Å; F116-T127 PolarHBondContact O-OG1 2.83Å; T127-C137 CarbonylContact O-C 3.6Å; T127-C137 WeakPolarHBondContact O-CA 3.31Å; T127-C137 VanDerWaalsContact O-CB 3.28Å; T127-C137 WeakPolarHBondContact O-CB 3.19Å; T127-N138 HydrophobicContact CG2-CB 4.46Å; T127-N138 PolarHBondContact N-O 2.77Å; T127-N138 PolarHBondContact O-N 2.94Å; T127-I140 HydrophobicContact CG2-CD1 3.7Å; T127-I140 HydrophobicContact CG2-CG1 3.99Å; T127-L147 HydrophobicContact CG2-CD1 4.08Å |
| 128 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.8 | 168 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | R115 F116 Y126 K136 C137 C159 | R115-C128 PolarHBondContact N-O 3.37Å; F116-C128 HydrophobicContact CB-CB 4.02Å; F116-C128 PolarHBondContact N-O 2.75Å; F116-C128 VanDerWaalsContact N-O 3.08Å; F116-C128 PolarHBondContact O-N 2.91Å; Y126-C128 WeakPolarHBondContact CE1-SG 3.41Å; C128-K136 VanDerWaalsContact CA-O 3.25Å; C128-K136 WeakPolarHBondContact CA-O 3.35Å; C128-C137 HydrophobicContact CB-CB 4.03Å; C128-C137 WeakPolarHBondContact CB-SG 3.27Å; C128-C137 WeakPolarHBondContact SG-CB 3.26Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 3.09Å; C128-C159 HydrophobicContact CB-CB 3.6Å |
| 129 | G | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 164.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N112 Y113 Y131 P135 K136 | N112-G129 VanDerWaalsContact OD1-CA 3.28Å; N112-G129 WeakPolarHBondContact OD1-CA 3.34Å; Y113-G129 CarbonylContact O-C 3.55Å; Y113-G129 WeakPolarHBondContact O-CA 3.47Å; G129-Y131 PolarHBondContact O-N 2.77Å; G129-P135 WeakPolarHBondContact O-CA 3.46Å; G129-K136 PolarHBondContact N-O 2.68Å; G129-K136 PolarHBondContact O-N 3.12Å; G129-K136 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -63.3 | -24.7 | -174.6 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | F111 N112 Y113 R115 A132 F133 Q134 P160 P163 | F111-T130 PolarHBondContact O-OG1 2.79Å; N112-T130 PolarHBondContact OD1-N 2.7Å; Y113-T130 PolarHBondContact N-OG1 2.75Å; Y113-T130 PolarHBondContact O-N 2.9Å; R115-T130 HydrophobicContact CG-CG2 3.9Å; T130-A132 VanDerWaalsContact C-N 3.3Å; T130-A132 PolarHBondContact O-N 3.05Å; T130-F133 PolarHBondContact O-N 2.77Å; T130-Q134 CarbonylContact O-C 3.37Å; T130-Q134 PolarHBondContact O-N 2.96Å; T130-P160 WeakPolarHBondContact CG2-O 3.12Å; T130-P163 HydrophobicContact CG2-CB 4.14Å | ||
| 131 | Y | 97.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 48.2 | 175 | -153 | -107.3 | 0 | 0 | 0 | 114 | W89 A91 P92 N112 G129 Q134 K136 | W89-Y131 AromaticContact CD1-CE2 3.98Å; W89-Y131 AromaticContact NE1-CE2 3.49Å; A91-Y131 HydrophobicContact CB-CD2 4.5Å; P92-Y131 VanDerWaalsContact CD-OH 3.27Å; P92-Y131 WeakPolarHBondContact CD-OH 3.43Å; P92-Y131 HydrophobicContact CG-CE1 4.32Å; P92-Y131 WeakPolarHBondContact CG-OH 3.32Å; N112-Y131 HydrophobicContact CB-CD2 4.12Å; N112-Y131 WeakPolarHBondContact OD1-CA 3.31Å; N112-Y131 PolarHBondContact OD1-N 3.22Å; G129-Y131 PolarHBondContact O-N 2.77Å; Y131-Q134 PolarHBondContact O-N 2.55Å; Y131-K136 HydrophobicContact CD1-CB 4.48Å; Y131-K136 HydrophobicContact CD1-CG 3.74Å; Y131-K136 HydrophobicContact CE1-CG 4.14Å; Y131-K136 HydrophobicContact CG-CB 4.28Å; Y131-K136 HydrophobicContact CG-CG 4.01Å |
| 132 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 58 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A91 K96 C99 C110 F111 T130 Q134 | A91-A132 HydrophobicContact CB-CB 3.62Å; K96-A132 HydrophobicContact CG-CB 4.33Å; C99-A132 HydrophobicContact CB-CB 4.11Å; C110-A132 HydrophobicContact CB-CB 4.37Å; F111-A132 PolarHBondContact O-N 3.13Å; T130-A132 VanDerWaalsContact C-N 3.3Å; T130-A132 PolarHBondContact O-N 3.05Å; A132-Q134 VanDerWaalsContact C-N 3.3Å; A132-Q134 PolarHBondContact O-N 3.41Å |
| 133 | F | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 34.2 | -179.6 | -73.3 | -112.6 | 0 | 0 | 0 | 113.9 | K104 E109 T130 Y161 D162 F184 | K104-F133 HydrophobicContact CD-CE1 3.85Å; K104-F133 HydrophobicContact CD-CE2 4.07Å; K104-F133 HydrophobicContact CD-CZ 3.58Å; K104-F133 HydrophobicContact CG-CD1 4.47Å; K104-F133 HydrophobicContact CG-CE1 4.28Å; K104-F133 HydrophobicContact CG-CE2 4.35Å; K104-F133 HydrophobicContact CG-CZ 4.2Å; E109-F133 HydrophobicContact CB-CE2 3.84Å; E109-F133 HydrophobicContact CB-CZ 4.43Å; E109-F133 HydrophobicContact CG-CE2 4.45Å; T130-F133 PolarHBondContact O-N 2.77Å; F133-Y161 WeakPolarHBondContact CA-O 3.38Å; F133-Y161 WeakPolarHBondContact CG-O 3.38Å; F133-Y161 WeakPolarHBondContact O-CD1 3.39Å; F133-D162 HydrophobicContact CD1-CB 4.45Å; F133-D162 HydrophobicContact CE1-CB 3.47Å; F133-D162 VanDerWaalsContact CE1-CB 3.47Å; F133-D162 WeakPolarHBondContact CE1-OD2 3.3Å; F133-D162 VanDerWaalsContact CZ-CA 3.48Å; F133-D162 HydrophobicContact CZ-CB 3.64Å; F133-D162 VanDerWaalsContact CZ-CG 3.45Å; F133-D162 WeakPolarHBondContact CZ-OD2 3.43Å; F133-F184 HydrophobicContact CB-CD2 3.76Å; F133-F184 HydrophobicContact CB-CE2 3.52Å; F133-F184 AromaticContact CD1-CD2 3.92Å; F133-F184 HydrophobicContact CD1-CD2 3.92Å; F133-F184 AromaticContact CD1-CE2 3.7Å; F133-F184 HydrophobicContact CD1-CE2 3.7Å; F133-F184 HydrophobicContact CD1-CZ 4.2Å; F133-F184 HydrophobicContact CG-CD2 4.29Å; F133-F184 AromaticContact CG-CE2 3.89Å; F133-F184 HydrophobicContact CG-CE2 3.89Å |
| 134 | Q | 96.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 15% | 0.154 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -142.4 | 64.9 | 174 | -61.7 | -175.3 | 39.7 | 0 | 0 | 110.3 | E98 T130 Y131 A132 K136 | E98-Q134 PolarHBondContact OE1-NE2 3.18Å; E98-Q134 VanDerWaalsContact OE1-NE2 3.1Å; E98-Q134 PolarHBondContact OE2-NE2 2.96Å; T130-Q134 CarbonylContact O-C 3.37Å; T130-Q134 PolarHBondContact O-N 2.96Å; Y131-Q134 PolarHBondContact O-N 2.55Å; A132-Q134 VanDerWaalsContact C-N 3.3Å; A132-Q134 PolarHBondContact O-N 3.41Å; Q134-K136 WeakPolarHBondContact O-CE 3.42Å; Q134-K136 WeakPolarHBondContact O-CG 3.18Å; Q134-K136 PolarHBondContact O-N 3.38Å |
| 135 | P | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | trans | -50.3 | 132.3 | -161.5 | -30.9 | 37.7 | 0 | 0 | 0 | 114.2 | G129 G155 C159 P160 Y161 | G129-P135 WeakPolarHBondContact O-CA 3.46Å; P135-G155 VanDerWaalsContact O-CA 3.26Å; P135-G155 WeakPolarHBondContact O-CA 3.29Å; P135-G155 PolarHBondContact O-N 3.48Å; P135-C159 HydrophobicContact CB-CB 4.07Å; P135-P160 VanDerWaalsContact CG-O 3.29Å; P135-P160 WeakPolarHBondContact CG-O 3.42Å; P135-Y161 VanDerWaalsContact CD-CD1 3.49Å; P135-Y161 VanDerWaalsContact CD-CE1 3.5Å; P135-Y161 HydrophobicContact CG-CD1 4.19Å; P135-Y161 HydrophobicContact CG-CD2 3.85Å; P135-Y161 HydrophobicContact CG-CE1 4.42Å; P135-Y161 HydrophobicContact CG-CE2 4.11Å; P135-Y161 HydrophobicContact CG-CG 3.87Å | ||
| 136 | K | 97.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 25.8 Ų | 25.8 | 21% | 0.213 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.7 | 176.2 | -62.1 | -58.7 | 157.2 | -167.2 | 0 | 111.3 | W89 C128 G129 Y131 Q134 L152 E153 D154 | W89-K136 WeakPolarHBondContact CH2-O 3.14Å; W89-K136 HydrophobicContact CZ2-CB 4.07Å; C128-K136 VanDerWaalsContact CA-O 3.25Å; C128-K136 WeakPolarHBondContact CA-O 3.35Å; G129-K136 PolarHBondContact N-O 2.68Å; G129-K136 PolarHBondContact O-N 3.12Å; G129-K136 VanDerWaalsContact O-N 3.11Å; Y131-K136 HydrophobicContact CD1-CB 4.48Å; Y131-K136 HydrophobicContact CD1-CG 3.74Å; Y131-K136 HydrophobicContact CE1-CG 4.14Å; Y131-K136 HydrophobicContact CG-CB 4.28Å; Y131-K136 HydrophobicContact CG-CG 4.01Å; Q134-K136 WeakPolarHBondContact O-CE 3.42Å; Q134-K136 WeakPolarHBondContact O-CG 3.18Å; Q134-K136 PolarHBondContact O-N 3.38Å; K136-L152 HydrophobicContact CB-CD2 4.27Å; K136-E153 WeakPolarHBondContact CA-O 3.42Å; K136-E153 WeakPolarHBondContact CD-O 3.24Å; K136-D154 IonicContact NZ-OD1 2.7Å; K136-D154 PolarHBondContact NZ-OD1 2.64Å |
| 137 | C | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 161 | 176 | -55.2 | 0 | 0 | 0 | 0 | 111 | Y126 T127 C128 E153 G155 | Y126-C137 HydrophobicContact CE1-CB 3.99Å; Y126-C137 HydrophobicContact CE2-CB 4.05Å; Y126-C137 VanDerWaalsContact CZ-CB 3.45Å; Y126-C137 WeakPolarHBondContact OH-CB 3.3Å; Y126-C137 PolarHBondContact OH-SG 3.28Å; Y126-C137 VanDerWaalsContact OH-SG 3.33Å; T127-C137 CarbonylContact O-C 3.6Å; T127-C137 WeakPolarHBondContact O-CA 3.31Å; T127-C137 VanDerWaalsContact O-CB 3.28Å; T127-C137 WeakPolarHBondContact O-CB 3.19Å; C128-C137 HydrophobicContact CB-CB 4.03Å; C128-C137 WeakPolarHBondContact CB-SG 3.27Å; C128-C137 WeakPolarHBondContact SG-CB 3.26Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 3.09Å; C137-E153 HydrophobicContact CB-CB 4.23Å; C137-E153 PolarHBondContact N-O 3.18Å; C137-E153 PolarHBondContact O-N 2.68Å; C137-G155 VanDerWaalsContact SG-CA 3.59Å |
| 138 | N | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 166.4 | 177.9 | -147.3 | -40.8 | 0 | 0 | 0 | 110.6 | T127 L147 N148 | T127-N138 HydrophobicContact CG2-CB 4.46Å; T127-N138 PolarHBondContact N-O 2.77Å; T127-N138 PolarHBondContact O-N 2.94Å; N138-L147 HydrophobicContact CB-CD1 3.78Å; N138-L147 HydrophobicContact CB-CG 4Å; N138-N148 PolarHBondContact ND2-O 3.21Å |
| 139 | Y | 95.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 36 Ų | 36 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 144.8 | 167 | -59.6 | -92.3 | 0 | 0 | 0 | 110 | Y120 L125 Y126 E153 | Y120-Y139 HydrophobicContact CD1-CD1 4.01Å; Y120-Y139 AromaticContact CD1-CE1 3.65Å; Y120-Y139 HydrophobicContact CD1-CE1 3.65Å; Y120-Y139 HydrophobicContact CD2-CE1 4.02Å; Y120-Y139 HydrophobicContact CE1-CD1 4.41Å; Y120-Y139 AromaticContact CE1-CE1 3.73Å; Y120-Y139 HydrophobicContact CE1-CE1 3.73Å; Y120-Y139 HydrophobicContact CE2-CE1 4.06Å; Y120-Y139 HydrophobicContact CG-CD1 4.27Å; Y120-Y139 AromaticContact CG-CE1 3.83Å; Y120-Y139 HydrophobicContact CG-CE1 3.83Å; Y120-Y139 AromaticContact CZ-CE1 3.94Å; L125-Y139 VanDerWaalsContact O-CA 3.3Å; L125-Y139 WeakPolarHBondContact O-CA 3.22Å; Y126-Y139 AromaticContact CD2-CD1 3.8Å; Y126-Y139 HydrophobicContact CD2-CD1 3.8Å; Y126-Y139 HydrophobicContact CD2-CD2 4.34Å; Y126-Y139 AromaticContact CD2-CE1 3.5Å; Y126-Y139 HydrophobicContact CD2-CE1 3.5Å; Y126-Y139 VanDerWaalsContact CD2-CE1 3.5Å; Y126-Y139 HydrophobicContact CD2-CE2 4.06Å; Y126-Y139 HydrophobicContact CD2-CG 4.2Å; Y126-Y139 AromaticContact CD2-CZ 3.62Å; Y126-Y139 HydrophobicContact CE2-CE1 4.24Å; Y126-Y139 HydrophobicContact CE2-CE2 4.14Å; Y126-Y139 AromaticContact CE2-CZ 3.88Å; Y126-Y139 HydrophobicContact CG-CE1 4.36Å; Y139-E153 VanDerWaalsContact CE2-OE1 3.24Å; Y139-E153 WeakPolarHBondContact CE2-OE1 3.34Å; Y139-E153 PolarHBondContact OH-OE1 3Å |
| 140 | I | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.4 | 170.8 | -60.1 | 164.5 | 0 | 0 | 0 | 107 | L71 I87 L117 H124 L125 T127 A142 F145 T146 L147 | L71-I140 HydrophobicContact CD2-CD1 3.9Å; I87-I140 HydrophobicContact CD1-CB 4.39Å; I87-I140 HydrophobicContact CD1-CD1 3.87Å; I87-I140 HydrophobicContact CD1-CG1 3.93Å; I87-I140 HydrophobicContact CD1-CG2 3.57Å; L117-I140 HydrophobicContact CD1-CD1 4Å; H124-I140 CarbonylContact C-O 3.6Å; H124-I140 VanDerWaalsContact CA-O 3.28Å; H124-I140 WeakPolarHBondContact CA-O 3.2Å; L125-I140 HydrophobicContact CB-CB 4.19Å; L125-I140 HydrophobicContact CD1-CB 4.45Å; L125-I140 HydrophobicContact CD1-CG2 4.46Å; L125-I140 PolarHBondContact N-O 3.13Å; L125-I140 PolarHBondContact O-N 2.73Å; T127-I140 HydrophobicContact CG2-CD1 3.7Å; T127-I140 HydrophobicContact CG2-CG1 3.99Å; I140-A142 PolarHBondContact O-N 2.71Å; I140-F145 HydrophobicContact CG2-CD2 3.7Å; I140-F145 HydrophobicContact CG2-CE2 3.97Å; I140-F145 HydrophobicContact CG2-CG 4.3Å; I140-T146 WeakPolarHBondContact CA-O 3.25Å; I140-L147 HydrophobicContact CG1-CB 4.26Å; I140-L147 HydrophobicContact CG1-CD1 4.09Å |
| 141 | K | 95.5 | Very high | 94.4 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 43% | 0.426 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.9 | 169.8 | -68.4 | 179.3 | -167.7 | 164.4 | 0 | 109.5 | T123 D144 F145 T146 | T123-K141 CarbonylContact O-C 3.56Å; T123-K141 WeakPolarHBondContact O-CA 3.49Å; K141-D144 VanDerWaalsContact CB-OD1 3.24Å; K141-D144 WeakPolarHBondContact CB-OD1 3.3Å; K141-D144 WeakPolarHBondContact CD-OD2 3.38Å; K141-D144 IonicContact NZ-OD2 3.92Å; K141-D144 PolarHBondContact NZ-OD2 3.2Å; K141-F145 WeakPolarHBondContact O-CA 3Å; K141-F145 PolarHBondContact O-N 2.9Å; K141-T146 PolarHBondContact N-O 2.9Å |
| 142 | A | 92.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -31.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T123 I140 | T123-A142 PolarHBondContact O-N 3.03Å; I140-A142 PolarHBondContact O-N 2.71Å |
| 143 | D | 89.9 | Confident | 94.1 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -47.3 | -173 | -66.2 | -50.2 | 0 | 0 | 0 | 113.3 | R84 | R84-D143 PolarHBondContact NE-O 2.78Å; R84-D143 PolarHBondContact NH2-O 3.4Å; R84-D143 VanDerWaalsContact NH2-O 3.14Å |
| 144 | D | 91.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -12.7 | 179.8 | 63.1 | 23.9 | 0 | 0 | 0 | 113.4 | K141 T146 | K141-D144 VanDerWaalsContact CB-OD1 3.24Å; K141-D144 WeakPolarHBondContact CB-OD1 3.3Å; K141-D144 WeakPolarHBondContact CD-OD2 3.38Å; K141-D144 IonicContact NZ-OD2 3.92Å; K141-D144 PolarHBondContact NZ-OD2 3.2Å; D144-T146 HydrophobicContact CB-CG2 4.19Å; D144-T146 VanDerWaalsContact CG-OG1 3.22Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.16Å; D144-T146 PolarHBondContact OD1-N 2.9Å; D144-T146 PolarHBondContact OD1-OG1 3.29Å; D144-T146 PolarHBondContact OD2-OG1 2.8Å |
| 145 | F | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 46.2 | -173.6 | -156 | -114.9 | 0 | 0 | 0 | 113.2 | Y64 L71 A73 R84 P85 I87 L125 I140 K141 | Y64-F145 HydrophobicContact CD1-CD2 4.13Å; Y64-F145 AromaticContact CD1-CE2 3.4Å; Y64-F145 HydrophobicContact CD1-CE2 3.4Å; Y64-F145 HydrophobicContact CD1-CZ 4.03Å; Y64-F145 AromaticContact CE1-CD2 3.82Å; Y64-F145 HydrophobicContact CE1-CD2 3.82Å; Y64-F145 AromaticContact CE1-CE2 3.57Å; Y64-F145 HydrophobicContact CE1-CE2 3.57Å; Y64-F145 HydrophobicContact CG-CE2 4.49Å; L71-F145 HydrophobicContact CB-CE1 4.26Å; L71-F145 HydrophobicContact CB-CZ 4.05Å; A73-F145 HydrophobicContact CB-CD1 4.1Å; A73-F145 HydrophobicContact CB-CD2 4.12Å; A73-F145 HydrophobicContact CB-CE1 4.07Å; A73-F145 HydrophobicContact CB-CE2 4.11Å; A73-F145 HydrophobicContact CB-CG 4.12Å; A73-F145 HydrophobicContact CB-CZ 4.08Å; R84-F145 HydrophobicContact CB-CB 3.63Å; R84-F145 HydrophobicContact CB-CD1 4.33Å; R84-F145 HydrophobicContact CB-CG 4.23Å; R84-F145 HydrophobicContact CG-CB 3.83Å; P85-F145 WeakPolarHBondContact O-CD1 3.18Å; I87-F145 HydrophobicContact CD1-CD1 3.65Å; I87-F145 HydrophobicContact CD1-CD2 4.29Å; I87-F145 HydrophobicContact CD1-CE1 3.6Å; I87-F145 HydrophobicContact CD1-CE2 4.23Å; I87-F145 HydrophobicContact CD1-CG 4.01Å; I87-F145 HydrophobicContact CD1-CZ 3.91Å; I87-F145 VanDerWaalsContact CD1-O 3.27Å; I87-F145 WeakPolarHBondContact CD1-O 3.13Å; I87-F145 HydrophobicContact CG1-CD1 3.66Å; I87-F145 HydrophobicContact CG1-CE1 3.71Å; I87-F145 HydrophobicContact CG1-CG 4.4Å; I87-F145 HydrophobicContact CG1-CZ 4.49Å; I87-F145 WeakPolarHBondContact CG1-O 3.34Å; L125-F145 HydrophobicContact CD1-CE2 3.98Å; I140-F145 HydrophobicContact CG2-CD2 3.7Å; I140-F145 HydrophobicContact CG2-CE2 3.97Å; I140-F145 HydrophobicContact CG2-CG 4.3Å; K141-F145 WeakPolarHBondContact O-CA 3Å; K141-F145 PolarHBondContact O-N 2.9Å |
| 146 | T | 95.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.7 | 175.9 | 64 | 0 | 0 | 0 | 0 | 113.4 | I140 K141 D144 | I140-T146 WeakPolarHBondContact CA-O 3.25Å; K141-T146 PolarHBondContact N-O 2.9Å; D144-T146 HydrophobicContact CB-CG2 4.19Å; D144-T146 VanDerWaalsContact CG-OG1 3.22Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.16Å; D144-T146 PolarHBondContact OD1-N 2.9Å; D144-T146 PolarHBondContact OD1-OG1 3.29Å; D144-T146 PolarHBondContact OD2-OG1 2.8Å |
| 147 | L | 94.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141 | 176.4 | 176.4 | 149.8 | 0 | 0 | 0 | 108.9 | I87 W89 T127 N138 I140 P149 | I87-L147 HydrophobicContact CD1-CB 4.28Å; I87-L147 HydrophobicContact CG2-CB 3.89Å; I87-L147 HydrophobicContact CG2-CD1 4.35Å; W89-L147 HydrophobicContact CD2-CD1 4.06Å; W89-L147 HydrophobicContact CE3-CD1 4.09Å; W89-L147 HydrophobicContact CG-CD1 4.43Å; T127-L147 HydrophobicContact CG2-CD1 4.08Å; N138-L147 HydrophobicContact CB-CD1 3.78Å; N138-L147 HydrophobicContact CB-CG 4Å; I140-L147 HydrophobicContact CG1-CB 4.26Å; I140-L147 HydrophobicContact CG1-CD1 4.09Å; L147-P149 VanDerWaalsContact O-CD 3.29Å; L147-P149 WeakPolarHBondContact O-CD 3.37Å |
| 148 | N | 92.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | trans | -96.5 | 103.5 | 178.6 | 179.4 | 2.6 | 0 | 0 | 0 | 111.2 | N138 A150 A151 | N138-N148 PolarHBondContact ND2-O 3.21Å; N148-A150 PolarHBondContact O-N 2.83Å; N148-A150 VanDerWaalsContact O-N 3.11Å; N148-A150 WeakPolarHBondContact OD1-CB 3.4Å; N148-A150 PolarHBondContact OD1-N 3.34Å; N148-A150 VanDerWaalsContact OD1-N 3.07Å; N148-A151 HydrophobicContact CB-CB 4.13Å; N148-A151 PolarHBondContact O-N 3Å | ||
| 149 | P | 86.3 | Confident | 93.4 | Very high | 96 Ų | 96 | 51 Ų | 51 | 62% | 0.623 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.6 | -176 | 29 | -36.5 | 0 | 0 | 0 | 114.2 | L147 L152 | L147-P149 VanDerWaalsContact O-CD 3.29Å; L147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-L152 WeakPolarHBondContact O-CD1 3.23Å; P149-L152 WeakPolarHBondContact O-CG 3.43Å |
| 150 | A | 86.1 | Confident | 93.4 | Very high | 94 Ų | 94 | 48 Ų | 48 | 78% | 0.777 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N148 | N148-A150 PolarHBondContact O-N 2.83Å; N148-A150 VanDerWaalsContact O-N 3.11Å; N148-A150 WeakPolarHBondContact OD1-CB 3.4Å; N148-A150 PolarHBondContact OD1-N 3.34Å; N148-A150 VanDerWaalsContact OD1-N 3.07Å |
| 151 | A | 90.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | trans | -107.5 | 43.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N148 E153 | N148-A151 HydrophobicContact CB-CB 4.13Å; N148-A151 PolarHBondContact O-N 3Å; A151-E153 PolarHBondContact O-N 3.27Å | ||
| 152 | L | 93.8 | Very high | 93.4 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | trans | -74.7 | 115.7 | -178.8 | -69 | 166.8 | 0 | 0 | 0 | 111.4 | W89 K136 P149 | W89-L152 HydrophobicContact CZ2-CD2 3.62Å; K136-L152 HydrophobicContact CB-CD2 4.27Å; P149-L152 WeakPolarHBondContact O-CD1 3.23Å; P149-L152 WeakPolarHBondContact O-CG 3.43Å | ||
| 153 | E | 94.8 | Very high | 93.6 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 152.5 | 168 | -74.5 | -167.2 | -159.7 | 0 | 0 | 111.1 | Y126 K136 C137 Y139 A151 K158 L195 | Y126-E153 PolarHBondContact OH-OE2 3.02Å; K136-E153 WeakPolarHBondContact CA-O 3.42Å; K136-E153 WeakPolarHBondContact CD-O 3.24Å; C137-E153 HydrophobicContact CB-CB 4.23Å; C137-E153 PolarHBondContact N-O 3.18Å; C137-E153 PolarHBondContact O-N 2.68Å; Y139-E153 VanDerWaalsContact CE2-OE1 3.24Å; Y139-E153 WeakPolarHBondContact CE2-OE1 3.34Å; Y139-E153 PolarHBondContact OH-OE1 3Å; A151-E153 PolarHBondContact O-N 3.27Å; E153-K158 IonicContact OE2-NZ 3.17Å; E153-K158 PolarHBondContact OE2-NZ 3.44Å; E153-L195 WeakPolarHBondContact OE2-CD2 3.38Å |
| 154 | D | 94 | Very high | 93.8 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.5 | 167.7 | -166.9 | 57.5 | 0 | 0 | 0 | 112 | K136 K156 K158 | K136-D154 IonicContact NZ-OD1 2.7Å; K136-D154 PolarHBondContact NZ-OD1 2.64Å; D154-K156 WeakPolarHBondContact OD2-CB 3.32Å; D154-K156 PolarHBondContact OD2-N 2.9Å; D154-K158 WeakPolarHBondContact O-CE 3.35Å; D154-K158 PolarHBondContact O-NZ 3.05Å |
| 155 | G | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -102.1 | 2.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P135 C137 G157 K158 C159 | P135-G155 VanDerWaalsContact O-CA 3.26Å; P135-G155 WeakPolarHBondContact O-CA 3.29Å; P135-G155 PolarHBondContact O-N 3.48Å; C137-G155 VanDerWaalsContact SG-CA 3.59Å; G155-G157 PolarHBondContact O-N 3.09Å; G155-K158 WeakPolarHBondContact O-CA 3.26Å; G155-K158 WeakPolarHBondContact O-CB 3.33Å; G155-K158 PolarHBondContact O-N 2.02Å; G155-C159 PolarHBondContact O-N 2.81Å | ||
| 156 | K | 95.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -56.5 | 123.9 | -178.8 | -170.5 | 176.3 | -174.1 | 179.5 | 0 | 111.1 | D154 K158 Y161 N182 | D154-K156 WeakPolarHBondContact OD2-CB 3.32Å; D154-K156 PolarHBondContact OD2-N 2.9Å; K156-K158 PolarHBondContact O-N 2.88Å; K156-K158 VanDerWaalsContact O-N 3.13Å; K156-Y161 HydrophobicContact CG-CE2 4.31Å; K156-N182 WeakPolarHBondContact CE-O 3.27Å; K156-N182 VanDerWaalsContact CG-O 3.3Å; K156-N182 WeakPolarHBondContact CG-O 3.36Å |
| 157 | G | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -7.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G155 S178 T180 L192 | G155-G157 PolarHBondContact O-N 3.09Å; G157-S178 PolarHBondContact O-OG 3.04Å; G157-T180 WeakPolarHBondContact O-CG2 2.87Å; G157-L192 WeakPolarHBondContact O-CD2 3.48Å |
| 158 | K | 94.9 | Very high | 94 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -32.2 | 170.7 | -53.8 | -178.3 | -173.9 | 158 | 0 | 112 | Y126 E153 D154 G155 K156 H167 L176 L192 N194 | Y126-K158 WeakPolarHBondContact OH-CD 3.48Å; Y126-K158 PolarHBondContact OH-NZ 2.85Å; Y126-K158 VanDerWaalsContact OH-NZ 3.07Å; E153-K158 IonicContact OE2-NZ 3.17Å; E153-K158 PolarHBondContact OE2-NZ 3.44Å; D154-K158 WeakPolarHBondContact O-CE 3.35Å; D154-K158 PolarHBondContact O-NZ 3.05Å; G155-K158 WeakPolarHBondContact O-CA 3.26Å; G155-K158 WeakPolarHBondContact O-CB 3.33Å; G155-K158 PolarHBondContact O-N 2.02Å; K156-K158 PolarHBondContact O-N 2.88Å; K156-K158 VanDerWaalsContact O-N 3.13Å; K158-H167 PolarHBondContact O-NE2 3.01Å; K158-L176 HydrophobicContact CB-CD2 3.93Å; K158-L176 HydrophobicContact CD-CD2 4.18Å; K158-L176 HydrophobicContact CG-CD2 4.09Å; K158-L192 HydrophobicContact CG-CD2 4.38Å; K158-N194 VanDerWaalsContact CE-ND2 3.27Å; K158-N194 WeakPolarHBondContact CE-ND2 3.5Å |
| 159 | C | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -143.6 | 145.1 | -174.9 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | C128 P135 G155 | C128-C159 HydrophobicContact CB-CB 3.6Å; P135-C159 HydrophobicContact CB-CB 4.07Å; G155-C159 PolarHBondContact O-N 2.81Å |
| 160 | P | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -69.5 | 152.5 | 178.1 | 29.5 | -36.5 | 0 | 0 | 0 | 111.2 | R115 T130 P135 H167 T180 | R115-P160 HydrophobicContact CB-CG 4.38Å; R115-P160 HydrophobicContact CG-CG 4.02Å; T130-P160 WeakPolarHBondContact CG2-O 3.12Å; P135-P160 VanDerWaalsContact CG-O 3.29Å; P135-P160 WeakPolarHBondContact CG-O 3.42Å; P160-H167 VanDerWaalsContact CD-CD2 3.46Å; P160-H167 WeakPolarHBondContact CD-CD2 3.45Å; P160-H167 HydrophobicContact CG-CB 3.89Å; P160-T180 WeakPolarHBondContact CA-OG1 3.44Å; P160-T180 WeakPolarHBondContact CB-OG1 3.21Å | ||
| 161 | Y | 97.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -68.9 | -42.6 | 168.1 | -76.5 | -105.8 | 0 | 0 | 0 | 111.6 | F133 P135 K156 N182 N183 F184 | F133-Y161 WeakPolarHBondContact CA-O 3.38Å; F133-Y161 WeakPolarHBondContact CG-O 3.38Å; F133-Y161 WeakPolarHBondContact O-CD1 3.39Å; P135-Y161 VanDerWaalsContact CD-CD1 3.49Å; P135-Y161 VanDerWaalsContact CD-CE1 3.5Å; P135-Y161 HydrophobicContact CG-CD1 4.19Å; P135-Y161 HydrophobicContact CG-CD2 3.85Å; P135-Y161 HydrophobicContact CG-CE1 4.42Å; P135-Y161 HydrophobicContact CG-CE2 4.11Å; P135-Y161 HydrophobicContact CG-CG 3.87Å; K156-Y161 HydrophobicContact CG-CE2 4.31Å; Y161-N182 WeakPolarHBondContact CE2-O 3.36Å; Y161-N183 VanDerWaalsContact CD2-C 3.5Å; Y161-N183 WeakPolarHBondContact CD2-O 3.32Å; Y161-F184 HydrophobicContact CD1-CB 4.05Å; Y161-F184 HydrophobicContact CD1-CD2 4.36Å; Y161-F184 HydrophobicContact CE1-CB 4.38Å |
| 162 | D | 96.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -101.2 | 125.9 | -172.5 | -169.6 | -51.7 | 0 | 0 | 0 | 110.9 | K104 F133 A164 K165 | K104-D162 IonicContact NZ-OD2 3.7Å; K104-D162 PolarHBondContact NZ-OD2 3.38Å; F133-D162 HydrophobicContact CD1-CB 4.45Å; F133-D162 HydrophobicContact CE1-CB 3.47Å; F133-D162 VanDerWaalsContact CE1-CB 3.47Å; F133-D162 WeakPolarHBondContact CE1-OD2 3.3Å; F133-D162 VanDerWaalsContact CZ-CA 3.48Å; F133-D162 HydrophobicContact CZ-CB 3.64Å; F133-D162 VanDerWaalsContact CZ-CG 3.45Å; F133-D162 WeakPolarHBondContact CZ-OD2 3.43Å; D162-A164 PolarHBondContact O-N 2.84Å; D162-A164 WeakPolarHBondContact OD1-CB 3.29Å; D162-A164 PolarHBondContact OD1-N 3.12Å; D162-K165 HydrophobicContact CB-CB 4.36Å; D162-K165 HydrophobicContact CB-CG 3.69Å; D162-K165 PolarHBondContact O-N 3.27Å |
| 163 | P | 95.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.6 | -176.9 | 28.3 | -35 | 0 | 0 | 0 | 113.8 | Y113 R115 T130 | Y113-P163 HydrophobicContact CD1-CB 4.29Å; Y113-P163 HydrophobicContact CD2-CB 3.63Å; Y113-P163 HydrophobicContact CD2-CG 3.92Å; Y113-P163 HydrophobicContact CE2-CB 4.14Å; Y113-P163 HydrophobicContact CE2-CG 4.08Å; Y113-P163 HydrophobicContact CG-CB 3.72Å; R115-P163 PolarHBondContact NH1-O 2.92Å; R115-P163 PolarHBondContact NH2-O 3.06Å; R115-P163 VanDerWaalsContact NH2-O 3.08Å; T130-P163 HydrophobicContact CG2-CB 4.14Å |
| 164 | A | 94.2 | Very high | 95 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 74% | 0.736 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D162 | D162-A164 PolarHBondContact O-N 2.84Å; D162-A164 WeakPolarHBondContact OD1-CB 3.29Å; D162-A164 PolarHBondContact OD1-N 3.12Å |
| 165 | K | 94.7 | Very high | 95 | Very high | 86 Ų | 86 | 34 Ų | 34 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -85.7 | 145.6 | -176.2 | -65.9 | -70.7 | -172.3 | 169 | 0 | 112.9 | R115 D162 L181 | R115-K165 PolarHBondContact NH2-O 3.33Å; D162-K165 HydrophobicContact CB-CB 4.36Å; D162-K165 HydrophobicContact CB-CG 3.69Å; D162-K165 PolarHBondContact O-N 3.27Å; K165-L181 HydrophobicContact CB-CD1 3.87Å; K165-L181 HydrophobicContact CD-CD1 3.72Å; K165-L181 HydrophobicContact CG-CD1 3.77Å |
| 166 | G | 93.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 34 Ų | 34 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | trans | -56.3 | 141 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D215 F216 | G166-D215 WeakPolarHBondContact CA-OD1 3.35Å; G166-D215 PolarHBondContact N-OD1 2.87Å; G166-F216 CarbonylContact C-O 3.53Å; G166-F216 VanDerWaalsContact CA-O 3.24Å; G166-F216 WeakPolarHBondContact CA-O 3.31Å | ||
| 167 | H | 96.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 12% | 0.12 | 17% | 0.165 | C | C | . | . | trans | -156.2 | 147.9 | -179.6 | 161.9 | -92 | 0 | 0 | 0 | 108.7 | R115 K158 P160 A179 F216 | R115-H167 PolarHBondContact O-CE1 3.46Å; R115-H167 VanDerWaalsContact O-CE1 3.27Å; R115-H167 PolarHBondContact O-ND1 3.14Å; K158-H167 PolarHBondContact O-NE2 3.01Å; P160-H167 VanDerWaalsContact CD-CD2 3.46Å; P160-H167 WeakPolarHBondContact CD-CD2 3.45Å; P160-H167 HydrophobicContact CG-CB 3.89Å; H167-A179 WeakPolarHBondContact CA-O 3.38Å; H167-F216 PolarHBondContact N-O 3.39Å; H167-F216 VanDerWaalsContact N-O 3.13Å | ||
| 168 | T | 97.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 162.9 | 166.5 | -164.5 | 0 | 0 | 0 | 0 | 110.4 | S178 A179 F216 G218 S219 F238 | T168-S178 WeakPolarHBondContact O-CA 3.49Å; T168-A179 HydrophobicContact CG2-CB 4Å; T168-A179 PolarHBondContact N-O 3.33Å; T168-A179 VanDerWaalsContact N-O 3.12Å; T168-A179 PolarHBondContact O-N 3.36Å; T168-F216 HydrophobicContact CG2-CB 4.49Å; T168-G218 VanDerWaalsContact OG1-C 3.28Å; T168-G218 VanDerWaalsContact OG1-CA 3.26Å; T168-G218 WeakPolarHBondContact OG1-CA 3.29Å; T168-S219 PolarHBondContact OG1-N 3.21Å; T168-S219 VanDerWaalsContact OG1-N 3.16Å; T168-S219 PolarHBondContact OG1-OG 3.21Å; T168-S219 VanDerWaalsContact OG1-OG 3.05Å; T168-F238 HydrophobicContact CG2-CD1 4.36Å |
| 169 | G | 96.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.5 | 170.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y177 S219 | G169-Y177 CarbonylContact C-O 3.58Å; G169-Y177 WeakPolarHBondContact CA-O 3.41Å; G169-S219 WeakPolarHBondContact CA-OG 3.46Å; G169-S219 PolarHBondContact N-OG 2.89Å |
| 170 | L | 96.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 149.4 | 172.3 | 62.8 | 158.7 | 0 | 0 | 0 | 110.8 | V172 Y177 S219 L221 I236 | L170-V172 HydrophobicContact CD1-CG2 3.58Å; L170-V172 HydrophobicContact CG-CG2 4.03Å; L170-Y177 PolarHBondContact N-O 3.18Å; L170-Y177 PolarHBondContact O-N 3.41Å; L170-S219 VanDerWaalsContact CD2-OG 3.23Å; L170-S219 WeakPolarHBondContact CD2-OG 3.31Å; L170-L221 HydrophobicContact CD1-CB 3.77Å; L170-I236 HydrophobicContact CD2-CG2 4Å |
| 171 | I | 95.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.2 | 167.9 | -68.2 | 161.7 | 0 | 0 | 0 | 109.2 | F116 Q118 Y120 Y126 E175 L176 | F116-I171 HydrophobicContact CE1-CD1 3.81Å; F116-I171 HydrophobicContact CE1-CG1 4.3Å; F116-I171 HydrophobicContact CZ-CD1 3.98Å; F116-I171 HydrophobicContact CZ-CG1 4.01Å; Q118-I171 HydrophobicContact CB-CD1 4.35Å; Y120-I171 HydrophobicContact CD2-CD1 4.1Å; Y120-I171 HydrophobicContact CD2-CG2 4.28Å; Y126-I171 HydrophobicContact CD1-CD1 4.29Å; Y126-I171 HydrophobicContact CG-CD1 4.39Å; I171-E175 CarbonylContact C-O 3.47Å; I171-E175 WeakPolarHBondContact CA-O 3.43Å; I171-L176 HydrophobicContact CG1-CB 4.19Å; I171-L176 HydrophobicContact CG1-CD1 4.07Å |
| 172 | V | 94.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.6 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | L170 K174 E175 Y177 L221 I236 K263 | L170-V172 HydrophobicContact CD1-CG2 3.58Å; L170-V172 HydrophobicContact CG-CG2 4.03Å; V172-K174 PolarHBondContact O-N 2.98Å; V172-E175 PolarHBondContact N-O 3.35Å; V172-E175 PolarHBondContact O-N 3.28Å; V172-E175 VanDerWaalsContact O-O 3.14Å; V172-Y177 HydrophobicContact CB-CD2 4.25Å; V172-Y177 HydrophobicContact CB-CE2 4.09Å; V172-Y177 HydrophobicContact CG2-CD2 4.42Å; V172-L221 HydrophobicContact CG1-CD1 4.32Å; V172-L221 HydrophobicContact CG1-CD2 3.94Å; V172-L221 HydrophobicContact CG2-CB 4.23Å; V172-L221 HydrophobicContact CG2-CD2 4.07Å; V172-I236 HydrophobicContact CG2-CD1 3.89Å; V172-K263 HydrophobicContact CG1-CD 3.76Å |
| 173 | D | 91.8 | Very high | 95.4 | Very high | 105 Ų | 105 | 29.9 Ų | 29.9 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.5 | 176.7 | -53.9 | -21.1 | 0 | 0 | 0 | 114.4 | E175 K263 | D173-E175 VanDerWaalsContact C-N 3.33Å; D173-K263 WeakPolarHBondContact OD2-CD 3.16Å; D173-K263 WeakPolarHBondContact OD2-CE 3.42Å; D173-K263 IonicContact OD2-NZ 3.72Å; D173-K263 PolarHBondContact OD2-NZ 3.5Å |
| 174 | K | 91.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 31.5 Ų | 31.5 | 48% | 0.483 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 9.3 | -174.6 | -53 | 175.7 | -173.4 | 171.1 | 0 | 116.3 | Y120 V172 G196 | Y120-K174 HydrophobicContact CE2-CB 3.8Å; Y120-K174 HydrophobicContact CE2-CG 4.38Å; Y120-K174 WeakPolarHBondContact CE2-O 3.31Å; V172-K174 PolarHBondContact O-N 2.98Å; K174-G196 PolarHBondContact O-N 3.17Å |
| 175 | E | 93.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132 | 167.1 | -55.1 | -172.6 | 113 | 0 | 0 | 109.7 | I171 V172 D173 Y177 R193 | I171-E175 CarbonylContact C-O 3.47Å; I171-E175 WeakPolarHBondContact CA-O 3.43Å; V172-E175 PolarHBondContact N-O 3.35Å; V172-E175 PolarHBondContact O-N 3.28Å; V172-E175 VanDerWaalsContact O-O 3.14Å; D173-E175 VanDerWaalsContact C-N 3.33Å; E175-Y177 HydrophobicContact CB-CD2 4.49Å; E175-Y177 HydrophobicContact CB-CE2 3.94Å; E175-Y177 PolarHBondContact OE2-OH 3.43Å; E175-R193 HydrophobicContact CB-CG 3.91Å; E175-R193 WeakPolarHBondContact OE1-CD 3.38Å; E175-R193 IonicContact OE1-CZ 3.23Å; E175-R193 IonicContact OE1-NE 3.82Å; E175-R193 PolarHBondContact OE1-NE 2.63Å; E175-R193 IonicContact OE1-NH2 2.81Å; E175-R193 WeakPolarHBondContact OE2-CD 3.4Å; E175-R193 IonicContact OE2-CZ 3.05Å; E175-R193 IonicContact OE2-NE 3.52Å; E175-R193 PolarHBondContact OE2-NE 2.54Å |
| 176 | L | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.6 | 170.9 | 172 | 64 | 0 | 0 | 0 | 109.5 | F116 Y126 K158 I171 R193 N194 L195 | F116-L176 HydrophobicContact CD2-CD1 4.42Å; F116-L176 HydrophobicContact CE1-CD1 4.18Å; F116-L176 HydrophobicContact CE2-CD1 3.81Å; F116-L176 HydrophobicContact CZ-CD1 3.67Å; Y126-L176 HydrophobicContact CE1-CD2 3.85Å; K158-L176 HydrophobicContact CB-CD2 3.93Å; K158-L176 HydrophobicContact CD-CD2 4.18Å; K158-L176 HydrophobicContact CG-CD2 4.09Å; I171-L176 HydrophobicContact CG1-CB 4.19Å; I171-L176 HydrophobicContact CG1-CD1 4.07Å; L176-R193 WeakPolarHBondContact O-CA 3.28Å; L176-N194 WeakPolarHBondContact CA-O 3.22Å; L176-N194 PolarHBondContact N-O 3.08Å; L176-N194 PolarHBondContact O-N 2.89Å; L176-L195 HydrophobicContact CB-CD1 3.81Å; L176-L195 HydrophobicContact CB-CG 4.03Å |
| 177 | Y | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.7 | 165.7 | -67.9 | -101.4 | 0 | 0 | 0 | 108.1 | G169 L170 V172 E175 L192 R193 I236 V261 K263 W276 | G169-Y177 CarbonylContact C-O 3.58Å; G169-Y177 WeakPolarHBondContact CA-O 3.41Å; L170-Y177 PolarHBondContact N-O 3.18Å; L170-Y177 PolarHBondContact O-N 3.41Å; V172-Y177 HydrophobicContact CB-CD2 4.25Å; V172-Y177 HydrophobicContact CB-CE2 4.09Å; V172-Y177 HydrophobicContact CG2-CD2 4.42Å; E175-Y177 HydrophobicContact CB-CD2 4.49Å; E175-Y177 HydrophobicContact CB-CE2 3.94Å; E175-Y177 PolarHBondContact OE2-OH 3.43Å; Y177-L192 CarbonylContact C-O 3.45Å; Y177-L192 WeakPolarHBondContact CA-O 3.23Å; Y177-R193 HydrophobicContact CD1-CB 4.19Å; Y177-R193 HydrophobicContact CD1-CG 4.37Å; Y177-R193 HydrophobicContact CD2-CG 4.48Å; Y177-R193 HydrophobicContact CE1-CB 4.18Å; Y177-R193 HydrophobicContact CE1-CG 4.11Å; Y177-R193 HydrophobicContact CE2-CG 4.19Å; Y177-R193 WeakPolarHBondContact OH-CD 3.11Å; Y177-R193 PolarHBondContact OH-NH1 2.87Å; Y177-I236 HydrophobicContact CD1-CB 4.11Å; Y177-I236 HydrophobicContact CD1-CG1 3.68Å; Y177-I236 HydrophobicContact CD1-CG2 4.1Å; Y177-I236 HydrophobicContact CD2-CG1 4.33Å; Y177-I236 HydrophobicContact CE1-CB 4.43Å; Y177-I236 HydrophobicContact CE1-CG1 3.65Å; Y177-I236 HydrophobicContact CE2-CG1 4.35Å; Y177-I236 HydrophobicContact CG-CG1 4.02Å; Y177-I236 HydrophobicContact CG-CG2 4.18Å; Y177-V261 HydrophobicContact CE1-CG2 4.4Å; Y177-K263 WeakPolarHBondContact OH-CG 3.1Å; Y177-K263 PolarHBondContact OH-O 3.41Å; Y177-W276 HydrophobicContact CD1-CH2 4.22Å; Y177-W276 AromaticContact CE1-CH2 3.84Å; Y177-W276 HydrophobicContact CE1-CH2 3.84Å |
| 178 | S | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.5 | -175.8 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | G157 T168 I191 L192 | G157-S178 PolarHBondContact O-OG 3.04Å; T168-S178 WeakPolarHBondContact O-CA 3.49Å; S178-I191 WeakPolarHBondContact O-CA 3.5Å; S178-L192 PolarHBondContact N-O 3.07Å; S178-L192 PolarHBondContact O-N 2.88Å |
| 179 | A | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 116.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | H167 T168 V190 I191 F216 F238 | H167-A179 WeakPolarHBondContact CA-O 3.38Å; T168-A179 HydrophobicContact CG2-CB 4Å; T168-A179 PolarHBondContact N-O 3.33Å; T168-A179 VanDerWaalsContact N-O 3.12Å; T168-A179 PolarHBondContact O-N 3.36Å; A179-V190 WeakPolarHBondContact CA-O 3.36Å; A179-I191 HydrophobicContact CB-CG1 3.81Å; A179-F216 HydrophobicContact CB-CD1 3.56Å; A179-F216 HydrophobicContact CB-CE1 3.75Å; A179-F216 HydrophobicContact CB-CG 3.96Å; A179-F216 HydrophobicContact CB-CZ 4.28Å; A179-F238 HydrophobicContact CB-CD1 3.67Å; A179-F238 HydrophobicContact CB-CE1 3.92Å |
| 180 | T | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | -171 | -170.9 | -157.2 | 0 | 0 | 0 | 0 | 112.7 | G157 P160 V190 F216 | G157-T180 WeakPolarHBondContact O-CG2 2.87Å; P160-T180 WeakPolarHBondContact CA-OG1 3.44Å; P160-T180 WeakPolarHBondContact CB-OG1 3.21Å; T180-V190 PolarHBondContact N-O 3.11Å; T180-V190 PolarHBondContact O-N 3.06Å; T180-F216 WeakPolarHBondContact O-CE2 3.36Å |
| 181 | L | 95.8 | Very high | 95 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.5 | 177.8 | -55.1 | 168.4 | 0 | 0 | 0 | 110 | K165 N183 E188 P189 | K165-L181 HydrophobicContact CB-CD1 3.87Å; K165-L181 HydrophobicContact CD-CD1 3.72Å; K165-L181 HydrophobicContact CG-CD1 3.77Å; L181-N183 PolarHBondContact O-N 3.28Å; L181-E188 CarbonylContact C-O 3.17Å; L181-E188 WeakPolarHBondContact CA-O 3.42Å; L181-P189 HydrophobicContact CD2-CB 4.16Å |
| 182 | N | 93.6 | Very high | 95 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | trans | -83.6 | -6.6 | -167.2 | -172.3 | 67.7 | 0 | 0 | 0 | 114.1 | K156 Y161 E188 V190 | K156-N182 WeakPolarHBondContact CE-O 3.27Å; K156-N182 VanDerWaalsContact CG-O 3.3Å; K156-N182 WeakPolarHBondContact CG-O 3.36Å; Y161-N182 WeakPolarHBondContact CE2-O 3.36Å; N182-E188 HydrophobicContact CB-CB 3.82Å; N182-E188 WeakPolarHBondContact CB-O 3.48Å; N182-E188 PolarHBondContact N-O 3.07Å; N182-E188 PolarHBondContact ND2-OE2 3.1Å; N182-V190 HydrophobicContact CB-CB 4.31Å; N182-V190 HydrophobicContact CB-CG1 3.91Å | ||
| 183 | N | 93.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -138.2 | 165.3 | -174.5 | 71 | 2.3 | 0 | 0 | 0 | 113.4 | Y161 L181 L185 G186 T187 E188 | Y161-N183 VanDerWaalsContact CD2-C 3.5Å; Y161-N183 WeakPolarHBondContact CD2-O 3.32Å; L181-N183 PolarHBondContact O-N 3.28Å; N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.36Å; N183-G186 PolarHBondContact O-N 3.09Å; N183-G186 VanDerWaalsContact O-N 3.17Å; N183-G186 PolarHBondContact OD1-N 2.95Å; N183-T187 PolarHBondContact ND2-OG1 3.16Å; N183-T187 PolarHBondContact OD1-N 3.21Å; N183-E188 HydrophobicContact CB-CB 4.38Å; N183-E188 HydrophobicContact CB-CG 4.41Å; N183-E188 WeakPolarHBondContact CB-OE1 3.22Å; N183-E188 VanDerWaalsContact ND2-CD 3.3Å; N183-E188 VanDerWaalsContact ND2-CG 3.33Å; N183-E188 WeakPolarHBondContact ND2-CG 3.35Å; N183-E188 PolarHBondContact ND2-OE1 3.43Å; N183-E188 PolarHBondContact OD1-N 2.9Å |
| 184 | F | 92.9 | Very high | 95 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 23% | 0.232 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.8 | -177.7 | 179.1 | -86 | 0 | 0 | 0 | 113.5 | K102 K104 F133 Y161 G186 | K102-F184 HydrophobicContact CB-CE1 4.15Å; K102-F184 HydrophobicContact CB-CE2 4.15Å; K102-F184 HydrophobicContact CB-CZ 3.51Å; K102-F184 HydrophobicContact CD-CD2 4.36Å; K102-F184 HydrophobicContact CD-CE2 3.79Å; K102-F184 HydrophobicContact CD-CZ 3.94Å; K102-F184 HydrophobicContact CG-CZ 4.33Å; K104-F184 HydrophobicContact CG-CZ 4Å; F133-F184 HydrophobicContact CB-CD2 3.76Å; F133-F184 HydrophobicContact CB-CE2 3.52Å; F133-F184 AromaticContact CD1-CD2 3.92Å; F133-F184 HydrophobicContact CD1-CD2 3.92Å; F133-F184 AromaticContact CD1-CE2 3.7Å; F133-F184 HydrophobicContact CD1-CE2 3.7Å; F133-F184 HydrophobicContact CD1-CZ 4.2Å; F133-F184 HydrophobicContact CG-CD2 4.29Å; F133-F184 AromaticContact CG-CE2 3.89Å; F133-F184 HydrophobicContact CG-CE2 3.89Å; Y161-F184 HydrophobicContact CD1-CB 4.05Å; Y161-F184 HydrophobicContact CD1-CD2 4.36Å; Y161-F184 HydrophobicContact CE1-CB 4.38Å; F184-G186 VanDerWaalsContact C-N 3.3Å; F184-G186 PolarHBondContact O-N 2.67Å |
| 185 | L | 92.2 | Very high | 94.4 | Very high | 134 Ų | 134 | 26.6 Ų | 26.6 | 70% | 0.702 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16.5 | -178.7 | -62.4 | 176 | 0 | 0 | 0 | 113.3 | N183 T187 | N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.36Å; L185-T187 HydrophobicContact CB-CG2 4.05Å |
| 186 | G | 90.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 72.7 | 31 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | N183 F184 | N183-G186 PolarHBondContact O-N 3.09Å; N183-G186 VanDerWaalsContact O-N 3.17Å; N183-G186 PolarHBondContact OD1-N 2.95Å; F184-G186 VanDerWaalsContact C-N 3.3Å; F184-G186 PolarHBondContact O-N 2.67Å |
| 187 | T | 92.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | trans | -109.5 | -15.2 | -176 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | N183 L185 P189 | N183-T187 PolarHBondContact ND2-OG1 3.16Å; N183-T187 PolarHBondContact OD1-N 3.21Å; L185-T187 HydrophobicContact CB-CG2 4.05Å; T187-P189 WeakPolarHBondContact O-CD 3.32Å | ||
| 188 | E | 95.6 | Very high | 89.7 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | trans | -100.3 | 92.6 | 176.8 | -76.6 | 165.8 | -127.1 | 0 | 0 | 111.7 | L181 N182 N183 Y206 | L181-E188 CarbonylContact C-O 3.17Å; L181-E188 WeakPolarHBondContact CA-O 3.42Å; N182-E188 HydrophobicContact CB-CB 3.82Å; N182-E188 WeakPolarHBondContact CB-O 3.48Å; N182-E188 PolarHBondContact N-O 3.07Å; N182-E188 PolarHBondContact ND2-OE2 3.1Å; N183-E188 HydrophobicContact CB-CB 4.38Å; N183-E188 HydrophobicContact CB-CG 4.41Å; N183-E188 WeakPolarHBondContact CB-OE1 3.22Å; N183-E188 VanDerWaalsContact ND2-CD 3.3Å; N183-E188 VanDerWaalsContact ND2-CG 3.33Å; N183-E188 WeakPolarHBondContact ND2-CG 3.35Å; N183-E188 PolarHBondContact ND2-OE1 3.43Å; N183-E188 PolarHBondContact OD1-N 2.9Å; E188-Y206 HydrophobicContact CB-CE2 4.35Å; E188-Y206 HydrophobicContact CG-CE2 4.02Å | ||
| 189 | P | 97.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.8 | 173.8 | 30.6 | -36.2 | 0 | 0 | 0 | 112.2 | L181 T187 L211 P214 F216 | L181-P189 HydrophobicContact CD2-CB 4.16Å; T187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-L211 HydrophobicContact CB-CB 4.05Å; P189-L211 HydrophobicContact CB-CD1 4.14Å; P189-L211 HydrophobicContact CG-CB 3.82Å; P189-P214 HydrophobicContact CB-CG 3.38Å; P189-P214 HydrophobicContact CG-CG 4.12Å; P189-F216 HydrophobicContact CB-CE2 4.27Å; P189-F216 HydrophobicContact CB-CZ 4.24Å |
| 190 | V | 97.5 | Very high | 86.6 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.4 | 177.1 | 71 | 0 | 0 | 0 | 0 | 111.7 | A179 T180 N182 L192 K203 S204 | A179-V190 WeakPolarHBondContact CA-O 3.36Å; T180-V190 PolarHBondContact N-O 3.11Å; T180-V190 PolarHBondContact O-N 3.06Å; N182-V190 HydrophobicContact CB-CB 4.31Å; N182-V190 HydrophobicContact CB-CG1 3.91Å; V190-L192 HydrophobicContact CG2-CB 4.19Å; V190-K203 HydrophobicContact CG2-CB 3.9Å; V190-S204 WeakPolarHBondContact CA-OG 3.42Å |
| 191 | I | 98.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.1 | 159.2 | -67.4 | 169.3 | 0 | 0 | 0 | 106.7 | S178 A179 K203 S204 L211 F216 F238 W276 F279 | S178-I191 WeakPolarHBondContact O-CA 3.5Å; A179-I191 HydrophobicContact CB-CG1 3.81Å; I191-K203 CarbonylContact O-C 3.57Å; I191-K203 WeakPolarHBondContact O-CA 3.4Å; I191-S204 PolarHBondContact N-OG 3.11Å; I191-S204 PolarHBondContact O-N 2.98Å; I191-L211 HydrophobicContact CD1-CD1 4.25Å; I191-L211 HydrophobicContact CD1-CD2 4Å; I191-L211 HydrophobicContact CG1-CD1 4.13Å; I191-F216 HydrophobicContact CD1-CE1 4.35Å; I191-F216 HydrophobicContact CG1-CE1 4.11Å; I191-F216 HydrophobicContact CG1-CZ 4.44Å; I191-F238 HydrophobicContact CD1-CB 4.41Å; I191-F238 HydrophobicContact CD1-CD2 4.37Å; I191-F238 HydrophobicContact CD1-CG 4.31Å; I191-F238 HydrophobicContact CG2-CD2 4.01Å; I191-F238 HydrophobicContact CG2-CE1 4.1Å; I191-F238 HydrophobicContact CG2-CE2 3.52Å; I191-F238 HydrophobicContact CG2-CG 4.47Å; I191-F238 HydrophobicContact CG2-CZ 3.57Å; I191-W276 PolarHBondContact O-NE1 3.23Å; I191-F279 HydrophobicContact CD1-CD2 4.46Å; I191-F279 HydrophobicContact CD1-CE2 3.67Å; I191-F279 HydrophobicContact CD1-CZ 4.41Å |
| 192 | L | 96 | Very high | 86 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.3 | -164.6 | -178.4 | 72 | 0 | 0 | 0 | 110.6 | G157 K158 Y177 S178 V190 N194 M202 K203 | G157-L192 WeakPolarHBondContact O-CD2 3.48Å; K158-L192 HydrophobicContact CG-CD2 4.38Å; Y177-L192 CarbonylContact C-O 3.45Å; Y177-L192 WeakPolarHBondContact CA-O 3.23Å; S178-L192 PolarHBondContact N-O 3.07Å; S178-L192 PolarHBondContact O-N 2.88Å; V190-L192 HydrophobicContact CG2-CB 4.19Å; L192-N194 HydrophobicContact CD2-CB 4.11Å; L192-N194 HydrophobicContact CG-CB 4.21Å; L192-M202 CarbonylContact C-O 3.58Å; L192-M202 WeakPolarHBondContact CA-O 3.39Å; L192-K203 HydrophobicContact CD1-CB 3.98Å |
| 193 | R | 96 | Very high | 86.1 | Confident | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.1 | 155.9 | -179.5 | 176.6 | 93.6 | -136.4 | -8.4 | 109.6 | E175 L176 Y177 S201 M202 K263 D265 W276 | E175-R193 HydrophobicContact CB-CG 3.91Å; E175-R193 WeakPolarHBondContact OE1-CD 3.38Å; E175-R193 IonicContact OE1-CZ 3.23Å; E175-R193 IonicContact OE1-NE 3.82Å; E175-R193 PolarHBondContact OE1-NE 2.63Å; E175-R193 IonicContact OE1-NH2 2.81Å; E175-R193 WeakPolarHBondContact OE2-CD 3.4Å; E175-R193 IonicContact OE2-CZ 3.05Å; E175-R193 IonicContact OE2-NE 3.52Å; E175-R193 PolarHBondContact OE2-NE 2.54Å; L176-R193 WeakPolarHBondContact O-CA 3.28Å; Y177-R193 HydrophobicContact CD1-CB 4.19Å; Y177-R193 HydrophobicContact CD1-CG 4.37Å; Y177-R193 HydrophobicContact CD2-CG 4.48Å; Y177-R193 HydrophobicContact CE1-CB 4.18Å; Y177-R193 HydrophobicContact CE1-CG 4.11Å; Y177-R193 HydrophobicContact CE2-CG 4.19Å; Y177-R193 WeakPolarHBondContact OH-CD 3.11Å; Y177-R193 PolarHBondContact OH-NH1 2.87Å; R193-S201 VanDerWaalsContact O-CA 3.31Å; R193-S201 WeakPolarHBondContact O-CA 3.48Å; R193-S201 WeakPolarHBondContact O-CB 3.45Å; R193-M202 HydrophobicContact CB-CB 4.25Å; R193-M202 PolarHBondContact N-O 3.27Å; R193-M202 PolarHBondContact O-N 3.21Å; R193-M202 VanDerWaalsContact O-N 3.08Å; R193-K263 PolarHBondContact NH1-O 2.9Å; R193-D265 PolarHBondContact NH1-O 2.79Å; R193-D265 PolarHBondContact NH2-O 2.88Å; R193-W276 HydrophobicContact CB-CH2 3.47Å; R193-W276 VanDerWaalsContact CB-CH2 3.47Å; R193-W276 HydrophobicContact CB-CZ2 3.67Å; R193-W276 HydrophobicContact CG-CH2 4.44Å |
| 194 | N | 89.5 | Confident | 86.3 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 169.5 | -177.7 | -159.6 | -20.2 | 0 | 0 | 0 | 108.6 | K158 L176 L192 | K158-N194 VanDerWaalsContact CE-ND2 3.27Å; K158-N194 WeakPolarHBondContact CE-ND2 3.5Å; L176-N194 WeakPolarHBondContact CA-O 3.22Å; L176-N194 PolarHBondContact N-O 3.08Å; L176-N194 PolarHBondContact O-N 2.89Å; L192-N194 HydrophobicContact CD2-CB 4.11Å; L192-N194 HydrophobicContact CG-CB 4.21Å |
| 195 | L | 78.8 | Confident | 86.5 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | trans | 62.4 | 163.6 | -163.2 | -41 | -178.9 | 0 | 0 | 0 | 112.8 | Y120 Y126 E153 L176 | Y120-L195 HydrophobicContact CD2-CD1 4.42Å; Y120-L195 HydrophobicContact CE2-CD1 4.22Å; Y126-L195 HydrophobicContact CD1-CD1 4.18Å; Y126-L195 HydrophobicContact CD2-CD1 4.04Å; Y126-L195 HydrophobicContact CE1-CD1 3.96Å; Y126-L195 HydrophobicContact CE2-CD1 3.78Å; Y126-L195 HydrophobicContact CE2-CD2 4.09Å; Y126-L195 HydrophobicContact CG-CD1 4.21Å; E153-L195 WeakPolarHBondContact OE2-CD2 3.38Å; L176-L195 HydrophobicContact CB-CD1 3.81Å; L176-L195 HydrophobicContact CB-CG 4.03Å | ||
| 196 | G | 70.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 114.4 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K174 | K174-G196 PolarHBondContact O-N 3.17Š|
| 197 | Q | 58.7 | Low | 86.8 | Confident | 186 Ų | 186 | 57.6 Ų | 57.6 | 87% | 0.869 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -81.3 | -20.1 | 178.5 | -70.8 | -178.4 | -39.3 | 0 | 0 | 113.2 | H199 | Q197-H199 PolarHBondContact O-N 2.7Š|
| 198 | Q | 59.4 | Low | 86.9 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -83.2 | 106 | 173.2 | -62 | -156.4 | 21.7 | 0 | 0 | 109 | Y200 | Q198-Y200 HydrophobicContact CB-CD1 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 3.87Å; Q198-Y200 PolarHBondContact O-N 2.97Å; Q198-Y200 VanDerWaalsContact OE1-CZ 3.28Å; Q198-Y200 PolarHBondContact OE1-OH 3.15Å |
| 199 | H | 56.9 | Low | 86.8 | Confident | 192 Ų | 192 | 55.4 Ų | 55.4 | 89% | 0.889 | 28% | 0.278 | S | S | * | . | trans | -70.8 | 31.2 | -172.6 | -61.1 | -72.4 | 0 | 0 | 0 | 115.3 | Q197 | Q197-H199 PolarHBondContact O-N 2.7Š| ||
| 200 | Y | 75.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -137.5 | 131.7 | 174.9 | 65.9 | -82.4 | 0 | 0 | 0 | 111.4 | Q198 M202 L266 K274 | Q198-Y200 HydrophobicContact CB-CD1 4.25Å; Q198-Y200 HydrophobicContact CB-CE1 3.87Å; Q198-Y200 PolarHBondContact O-N 2.97Å; Q198-Y200 VanDerWaalsContact OE1-CZ 3.28Å; Q198-Y200 PolarHBondContact OE1-OH 3.15Å; Y200-M202 HydrophobicContact CE2-CG 4.23Å; Y200-M202 HydrophobicContact CE2-SD 4.23Å; Y200-L266 WeakPolarHBondContact OH-CB 3.31Å; Y200-K274 HydrophobicContact CD2-CG 4.13Å |
| 201 | S | 87.6 | Confident | 86.8 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | -79.8 | 142.1 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | R193 | R193-S201 VanDerWaalsContact O-CA 3.31Å; R193-S201 WeakPolarHBondContact O-CA 3.48Å; R193-S201 WeakPolarHBondContact O-CB 3.45Å | ||
| 202 | M | 93.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.8 | 177.1 | -80.2 | -71.6 | -72.1 | 0 | 0 | 109.2 | L192 R193 Y200 D265 K274 K275 W276 | L192-M202 CarbonylContact C-O 3.58Å; L192-M202 WeakPolarHBondContact CA-O 3.39Å; R193-M202 HydrophobicContact CB-CB 4.25Å; R193-M202 PolarHBondContact N-O 3.27Å; R193-M202 PolarHBondContact O-N 3.21Å; R193-M202 VanDerWaalsContact O-N 3.08Å; Y200-M202 HydrophobicContact CE2-CG 4.23Å; Y200-M202 HydrophobicContact CE2-SD 4.23Å; M202-D265 VanDerWaalsContact CE-OD1 3.24Å; M202-D265 WeakPolarHBondContact CE-OD1 3.11Å; M202-K274 VanDerWaalsContact SD-C 3.55Å; M202-K275 VanDerWaalsContact CE-C 3.49Å; M202-K275 WeakPolarHBondContact CE-O 3.13Å; M202-W276 HydrophobicContact CB-CD2 4.38Å; M202-W276 HydrophobicContact CB-CE3 4.31Å; M202-W276 HydrophobicContact CB-CH2 3.83Å; M202-W276 HydrophobicContact CB-CZ2 3.89Å; M202-W276 HydrophobicContact CB-CZ3 4.04Å; M202-W276 HydrophobicContact CE-CD2 4.1Å; M202-W276 HydrophobicContact CE-CE3 3.61Å; M202-W276 HydrophobicContact CE-CZ3 4.07Å |
| 203 | K | 95.4 | Very high | 86.7 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 159.5 | -175.8 | 59.4 | -173.8 | 172.8 | -176.1 | 0 | 114.5 | V190 I191 L192 K274 K275 W276 | V190-K203 HydrophobicContact CG2-CB 3.9Å; I191-K203 CarbonylContact O-C 3.57Å; I191-K203 WeakPolarHBondContact O-CA 3.4Å; L192-K203 HydrophobicContact CD1-CB 3.98Å; K203-K274 PolarHBondContact N-O 2.89Å; K203-K275 HydrophobicContact CG-CD 3.85Å; K203-K275 VanDerWaalsContact O-CA 3.26Å; K203-K275 WeakPolarHBondContact O-CA 3.38Å; K203-K275 WeakPolarHBondContact O-CD 3.46Å; K203-W276 VanDerWaalsContact C-CD1 3.43Å; K203-W276 PolarHBondContact O-N 3.19Å |
| 204 | S | 97.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | trans | -61.9 | 158.9 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | V190 I191 K275 | V190-S204 WeakPolarHBondContact CA-OG 3.42Å; I191-S204 PolarHBondContact N-OG 3.11Å; I191-S204 PolarHBondContact O-N 2.98Å; S204-K275 WeakPolarHBondContact O-CD 3.35Å; S204-K275 PolarHBondContact O-NZ 2.93Å | ||
| 205 | E | 96.3 | Very high | 87.2 | Confident | 27 Ų | 27 | 62 Ų | 62 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | trans | -74.9 | 144 | 165.1 | -71.1 | -76.6 | -139.8 | 0 | 0 | 111.6 | L207 W210 L272 K275 K396 | E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 HydrophobicContact CB-CD1 4.15Å; E205-L207 HydrophobicContact CB-CG 4.27Å; E205-L207 PolarHBondContact O-N 3.42Å; E205-L207 VanDerWaalsContact O-N 3.1Å; E205-W210 HydrophobicContact CB-CD2 3.72Å; E205-W210 HydrophobicContact CB-CE3 4.09Å; E205-W210 HydrophobicContact CB-CG 4.12Å; E205-W210 HydrophobicContact CB-CH2 4.25Å; E205-W210 HydrophobicContact CB-CZ2 3.93Å; E205-W210 HydrophobicContact CB-CZ3 4.34Å; E205-W210 HydrophobicContact CG-CD2 4.39Å; E205-W210 HydrophobicContact CG-CH2 3.92Å; E205-W210 HydrophobicContact CG-CZ2 3.66Å; E205-W210 HydrophobicContact CG-CZ3 4.42Å; E205-W210 VanDerWaalsContact N-CE3 3.29Å; E205-L272 HydrophobicContact CG-CD2 3.69Å; E205-K275 HydrophobicContact CG-CB 4.47Å; E205-K275 HydrophobicContact CG-CD 4.36Å; E205-K275 HydrophobicContact CG-CG 4.28Å; E205-K275 VanDerWaalsContact OE2-CE 3.29Å; E205-K275 WeakPolarHBondContact OE2-CE 3.2Å; E205-K275 IonicContact OE2-NZ 2.72Å; E205-K275 PolarHBondContact OE2-NZ 3.39Å; E205-K396 WeakPolarHBondContact OE1-CE 3.32Å; E205-K396 IonicContact OE1-NZ 3.42Å; E205-K396 PolarHBondContact OE1-NZ 3.36Å | ||
| 206 | Y | 94.8 | Very high | 88.1 | Confident | 156 Ų | 156 | 61.2 Ų | 61.2 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -87.6 | 74 | 177 | -173.4 | -120.6 | 0 | 0 | 0 | 108.9 | E188 | E188-Y206 HydrophobicContact CB-CE2 4.35Å; E188-Y206 HydrophobicContact CG-CE2 4.02Å |
| 207 | L | 95.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | trans | -138.8 | 133.8 | -179 | -67.1 | 173.9 | 0 | 0 | 0 | 108.6 | E205 A209 W210 L211 K396 | E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 HydrophobicContact CB-CD1 4.15Å; E205-L207 HydrophobicContact CB-CG 4.27Å; E205-L207 PolarHBondContact O-N 3.42Å; E205-L207 VanDerWaalsContact O-N 3.1Å; L207-A209 PolarHBondContact O-N 2.77Å; L207-A209 VanDerWaalsContact O-N 3.14Å; L207-W210 WeakPolarHBondContact O-CA 3.44Å; L207-W210 WeakPolarHBondContact O-CB 3.39Å; L207-W210 PolarHBondContact O-N 3.37Å; L207-L211 PolarHBondContact O-N 2.76Å; L207-K396 HydrophobicContact CD1-CG 4.49Å | ||
| 208 | P | 93.6 | Very high | 91.3 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34 | 177.4 | -29.9 | 37.2 | 0 | 0 | 0 | 113.7 | W210 L211 N212 L245 | P208-W210 PolarHBondContact O-N 2.77Å; P208-W210 VanDerWaalsContact O-N 3.16Å; P208-L211 CarbonylContact O-C 3.56Å; P208-L211 PolarHBondContact O-N 3.12Å; P208-N212 HydrophobicContact CB-CB 4.5Å; P208-L245 VanDerWaalsContact C-CD1 3.5Å; P208-L245 HydrophobicContact CB-CD1 3.72Å; P208-L245 WeakPolarHBondContact O-CD1 3.3Å |
| 209 | A | 94.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L207 K281 W356 P399 | L207-A209 PolarHBondContact O-N 2.77Å; L207-A209 VanDerWaalsContact O-N 3.14Å; A209-K281 WeakPolarHBondContact O-CE 3.36Å; A209-K281 PolarHBondContact O-NZ 2.94Å; A209-W356 HydrophobicContact CB-CH2 4.27Å; A209-P399 HydrophobicContact CB-CG 4.37Å; A209-P399 VanDerWaalsContact O-CG 3.27Å; A209-P399 WeakPolarHBondContact O-CG 3.46Å |
| 210 | W | 97.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -52.6 | 177 | -77.6 | 55.2 | 0 | 0 | 0 | 112.3 | E205 L207 P208 L272 W276 F279 K281 K396 P399 | E205-W210 HydrophobicContact CB-CD2 3.72Å; E205-W210 HydrophobicContact CB-CE3 4.09Å; E205-W210 HydrophobicContact CB-CG 4.12Å; E205-W210 HydrophobicContact CB-CH2 4.25Å; E205-W210 HydrophobicContact CB-CZ2 3.93Å; E205-W210 HydrophobicContact CB-CZ3 4.34Å; E205-W210 HydrophobicContact CG-CD2 4.39Å; E205-W210 HydrophobicContact CG-CH2 3.92Å; E205-W210 HydrophobicContact CG-CZ2 3.66Å; E205-W210 HydrophobicContact CG-CZ3 4.42Å; E205-W210 VanDerWaalsContact N-CE3 3.29Å; L207-W210 WeakPolarHBondContact O-CA 3.44Å; L207-W210 WeakPolarHBondContact O-CB 3.39Å; L207-W210 PolarHBondContact O-N 3.37Å; P208-W210 PolarHBondContact O-N 2.77Å; P208-W210 VanDerWaalsContact O-N 3.16Å; W210-L272 HydrophobicContact CH2-CD2 4.02Å; W210-L272 HydrophobicContact CZ2-CD2 3.95Å; W210-W276 HydrophobicContact CH2-CB 4.43Å; W210-W276 WeakPolarHBondContact CH2-O 3.5Å; W210-W276 HydrophobicContact CZ3-CB 4.25Å; W210-F279 HydrophobicContact CB-CE1 4.1Å; W210-F279 AromaticContact CD2-CD1 3.72Å; W210-F279 HydrophobicContact CD2-CD1 3.72Å; W210-F279 HydrophobicContact CD2-CE1 4.04Å; W210-F279 HydrophobicContact CE3-CB 4.16Å; W210-F279 AromaticContact CE3-CD1 3.24Å; W210-F279 HydrophobicContact CE3-CD1 3.24Å; W210-F279 AromaticContact CE3-CE1 3.73Å; W210-F279 HydrophobicContact CE3-CE1 3.73Å; W210-F279 AromaticContact CE3-CG 3.78Å; W210-F279 HydrophobicContact CE3-CG 3.78Å; W210-F279 HydrophobicContact CG-CD1 4.34Å; W210-F279 HydrophobicContact CG-CE1 4.22Å; W210-F279 HydrophobicContact CH2-CB 4.07Å; W210-F279 HydrophobicContact CH2-CD1 4.37Å; W210-F279 HydrophobicContact CZ3-CB 3.6Å; W210-F279 AromaticContact CZ3-CD1 3.62Å; W210-F279 HydrophobicContact CZ3-CD1 3.62Å; W210-F279 AromaticContact CZ3-CG 3.74Å; W210-F279 HydrophobicContact CZ3-CG 3.74Å; W210-K281 WeakPolarHBondContact O-CD 2.95Å; W210-K281 WeakPolarHBondContact O-CE 3.35Å; W210-K281 PolarHBondContact O-NZ 3.41Å; W210-K396 PolarHBondContact NE1-O 3.03Å; W210-P399 HydrophobicContact CG-CB 4.39Å; W210-P399 HydrophobicContact CG-CG 4.22Å |
| 211 | L | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | trans | -146.7 | 121.1 | -178.3 | -67.1 | 171.4 | 0 | 0 | 0 | 108.8 | P189 I191 L207 P208 P214 F216 F240 F279 | P189-L211 HydrophobicContact CB-CB 4.05Å; P189-L211 HydrophobicContact CB-CD1 4.14Å; P189-L211 HydrophobicContact CG-CB 3.82Å; I191-L211 HydrophobicContact CD1-CD1 4.25Å; I191-L211 HydrophobicContact CD1-CD2 4Å; I191-L211 HydrophobicContact CG1-CD1 4.13Å; L207-L211 PolarHBondContact O-N 2.76Å; P208-L211 CarbonylContact O-C 3.56Å; P208-L211 PolarHBondContact O-N 3.12Å; L211-P214 HydrophobicContact CB-CG 4.25Å; L211-P214 HydrophobicContact CD2-CG 4.41Å; L211-F216 HydrophobicContact CD1-CZ 4.32Å; L211-F216 HydrophobicContact CD2-CE1 4.33Å; L211-F216 HydrophobicContact CD2-CZ 4.41Å; L211-F240 HydrophobicContact CD2-CE1 4.25Å; L211-F240 HydrophobicContact CD2-CE2 3.9Å; L211-F240 HydrophobicContact CD2-CZ 3.63Å; L211-F279 HydrophobicContact CD2-CZ 4.31Å | ||
| 212 | N | 96.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -123.2 | 94.5 | -176.1 | -166.2 | 44.2 | 0 | 0 | 0 | 111.9 | P208 E242 R243 L245 | P208-N212 HydrophobicContact CB-CB 4.5Å; N212-E242 PolarHBondContact N-OE2 3.03Å; N212-E242 VanDerWaalsContact N-OE2 3.11Å; N212-E242 WeakPolarHBondContact O-CB 3.38Å; N212-R243 WeakPolarHBondContact ND2-CB 3.29Å; N212-R243 WeakPolarHBondContact ND2-CG 3.4Å; N212-R243 PolarHBondContact ND2-O 2.85Å; N212-R243 PolarHBondContact O-N 2.76Å; N212-L245 HydrophobicContact CB-CD1 4.43Å; N212-L245 HydrophobicContact CB-CG 4.45Å; N212-L245 WeakPolarHBondContact ND2-CD2 3.48Å |
| 213 | E | 96 | Very high | 96.7 | Very high | 134 Ų | 134 | 45.2 Ų | 45.2 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 52.4 | 49.8 | -177.8 | -55.8 | 176.7 | 138.6 | 0 | 0 | 114 | R243 | E213-R243 WeakPolarHBondContact OE2-CD 3.39Å; E213-R243 IonicContact OE2-NH1 3Å |
| 214 | P | 97.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | trans | -76.6 | 141.2 | -172.8 | 33.3 | -38.3 | 0 | 0 | 0 | 114.6 | P189 L211 F216 F240 S241 E242 | P189-P214 HydrophobicContact CB-CG 3.38Å; P189-P214 HydrophobicContact CG-CG 4.12Å; L211-P214 HydrophobicContact CB-CG 4.25Å; L211-P214 HydrophobicContact CD2-CG 4.41Å; P214-F216 HydrophobicContact CB-CE1 4.11Å; P214-F216 HydrophobicContact CB-CE2 4.25Å; P214-F216 HydrophobicContact CB-CZ 3.96Å; P214-F216 HydrophobicContact CG-CD2 4.47Å; P214-F216 HydrophobicContact CG-CE1 4.07Å; P214-F216 HydrophobicContact CG-CE2 3.66Å; P214-F216 HydrophobicContact CG-CZ 3.43Å; P214-F216 VanDerWaalsContact CG-CZ 3.43Å; P214-F240 HydrophobicContact CB-CB 4.44Å; P214-F240 HydrophobicContact CB-CD2 3.68Å; P214-F240 HydrophobicContact CB-CE2 4.23Å; P214-F240 HydrophobicContact CB-CG 4.32Å; P214-S241 CarbonylContact C-O 3.52Å; P214-S241 WeakPolarHBondContact CA-O 3.49Å; P214-E242 HydrophobicContact CB-CB 4.21Å | ||
| 215 | D | 97.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.2 | 163.7 | -173 | 29.8 | 0 | 0 | 0 | 109 | G166 F240 S241 R299 | G166-D215 WeakPolarHBondContact CA-OD1 3.35Å; G166-D215 PolarHBondContact N-OD1 2.87Å; D215-F240 VanDerWaalsContact O-CA 3.23Å; D215-F240 WeakPolarHBondContact O-CA 3.17Å; D215-F240 VanDerWaalsContact O-CB 3.22Å; D215-F240 WeakPolarHBondContact O-CB 3.3Å; D215-S241 PolarHBondContact N-O 2.89Å; D215-S241 PolarHBondContact O-N 2.96Å; D215-R299 IonicContact OD2-NH1 2.79Å |
| 216 | F | 98.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.4 | -173.9 | -64 | -73.7 | 0 | 0 | 0 | 112.3 | G166 H167 T168 A179 T180 P189 I191 L211 P214 F240 | G166-F216 CarbonylContact C-O 3.53Å; G166-F216 VanDerWaalsContact CA-O 3.24Å; G166-F216 WeakPolarHBondContact CA-O 3.31Å; H167-F216 PolarHBondContact N-O 3.39Å; H167-F216 VanDerWaalsContact N-O 3.13Å; T168-F216 HydrophobicContact CG2-CB 4.49Å; A179-F216 HydrophobicContact CB-CD1 3.56Å; A179-F216 HydrophobicContact CB-CE1 3.75Å; A179-F216 HydrophobicContact CB-CG 3.96Å; A179-F216 HydrophobicContact CB-CZ 4.28Å; T180-F216 WeakPolarHBondContact O-CE2 3.36Å; P189-F216 HydrophobicContact CB-CE2 4.27Å; P189-F216 HydrophobicContact CB-CZ 4.24Å; I191-F216 HydrophobicContact CD1-CE1 4.35Å; I191-F216 HydrophobicContact CG1-CE1 4.11Å; I191-F216 HydrophobicContact CG1-CZ 4.44Å; L211-F216 HydrophobicContact CD1-CZ 4.32Å; L211-F216 HydrophobicContact CD2-CE1 4.33Å; L211-F216 HydrophobicContact CD2-CZ 4.41Å; P214-F216 HydrophobicContact CB-CE1 4.11Å; P214-F216 HydrophobicContact CB-CE2 4.25Å; P214-F216 HydrophobicContact CB-CZ 3.96Å; P214-F216 HydrophobicContact CG-CD2 4.47Å; P214-F216 HydrophobicContact CG-CE1 4.07Å; P214-F216 HydrophobicContact CG-CE2 3.66Å; P214-F216 HydrophobicContact CG-CZ 3.43Å; P214-F216 VanDerWaalsContact CG-CZ 3.43Å; F216-F240 HydrophobicContact CD1-CB 3.81Å; F216-F240 HydrophobicContact CD1-CD1 4.21Å; F216-F240 HydrophobicContact CD1-CG 4.15Å; F216-F240 HydrophobicContact CE1-CB 4.39Å; F216-F240 HydrophobicContact CE1-CD1 4.23Å; F216-F240 HydrophobicContact CE1-CG 4.27Å; F216-F240 HydrophobicContact CG-CB 4.5Å |
| 217 | V | 97.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -39.1 | -167.4 | 175.5 | 0 | 0 | 0 | 0 | 113.6 | F239 L298 R299 V301 | V217-F239 WeakPolarHBondContact CB-O 3.23Å; V217-F239 PolarHBondContact N-O 3.32Å; V217-L298 HydrophobicContact CB-CD2 4.24Å; V217-L298 HydrophobicContact CB-CG 4.45Å; V217-L298 HydrophobicContact CG1-CD2 4.3Å; V217-L298 HydrophobicContact CG1-CG 4.16Å; V217-L298 HydrophobicContact CG2-CB 4.45Å; V217-L298 HydrophobicContact CG2-CD2 4.35Å; V217-L298 HydrophobicContact CG2-CG 4.28Å; V217-L298 WeakPolarHBondContact CG2-O 3.46Å; V217-R299 VanDerWaalsContact CG1-C 3.45Å; V217-V301 HydrophobicContact CG1-CG2 4.26Å |
| 218 | G | 97.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 160.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T168 F239 | T168-G218 VanDerWaalsContact OG1-C 3.28Å; T168-G218 VanDerWaalsContact OG1-CA 3.26Å; T168-G218 WeakPolarHBondContact OG1-CA 3.29Å; G218-F239 PolarHBondContact N-O 2.93Å; G218-F239 PolarHBondContact O-N 3Å |
| 219 | S | 98.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.4 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | T168 G169 L170 Y237 | T168-S219 PolarHBondContact OG1-N 3.21Å; T168-S219 VanDerWaalsContact OG1-N 3.16Å; T168-S219 PolarHBondContact OG1-OG 3.21Å; T168-S219 VanDerWaalsContact OG1-OG 3.05Å; G169-S219 WeakPolarHBondContact CA-OG 3.46Å; G169-S219 PolarHBondContact N-OG 2.89Å; L170-S219 VanDerWaalsContact CD2-OG 3.23Å; L170-S219 WeakPolarHBondContact CD2-OG 3.31Å; S219-Y237 CarbonylContact C-O 3.53Å; S219-Y237 WeakPolarHBondContact CA-O 3.34Å; S219-Y237 VanDerWaalsContact CB-O 3.29Å; S219-Y237 WeakPolarHBondContact CB-O 3.35Å |
| 220 | A | 98.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y237 F239 T303 F314 | A220-Y237 PolarHBondContact N-O 2.87Å; A220-Y237 PolarHBondContact O-N 3.23Å; A220-F239 HydrophobicContact CB-CE2 4.5Å; A220-T303 HydrophobicContact CB-CG2 4.17Å; A220-T303 WeakPolarHBondContact CB-OG1 3.36Å; A220-F314 HydrophobicContact CB-CE1 4.25Å |
| 221 | L | 97.9 | Very high | 95 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.4 | 165.3 | 168.3 | 64.3 | 0 | 0 | 0 | 109.3 | L170 V172 R223 D234 I236 | L170-L221 HydrophobicContact CD1-CB 3.77Å; V172-L221 HydrophobicContact CG1-CD1 4.32Å; V172-L221 HydrophobicContact CG1-CD2 3.94Å; V172-L221 HydrophobicContact CG2-CB 4.23Å; V172-L221 HydrophobicContact CG2-CD2 4.07Å; L221-R223 HydrophobicContact CD1-CG 4.24Å; L221-R223 HydrophobicContact CD2-CG 4.08Å; L221-R223 HydrophobicContact CG-CG 4.05Å; L221-D234 HydrophobicContact CD1-CB 3.95Å; L221-I236 HydrophobicContact CB-CD1 4.14Å; L221-I236 HydrophobicContact CD1-CD1 3.61Å; L221-I236 HydrophobicContact CG-CD1 4.46Å |
| 222 | V | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.1 | 166.4 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | E224 K235 Y237 W309 F314 I335 | V222-E224 VanDerWaalsContact C-N 3.26Å; V222-E224 HydrophobicContact CB-CG 4.35Å; V222-E224 HydrophobicContact CG1-CG 3.66Å; V222-E224 PolarHBondContact O-N 3.3Å; V222-K235 PolarHBondContact N-O 2.99Å; V222-K235 PolarHBondContact O-N 3.48Å; V222-Y237 HydrophobicContact CB-CD2 4.06Å; V222-Y237 HydrophobicContact CB-CE2 4Å; V222-Y237 HydrophobicContact CG2-CD2 3.57Å; V222-Y237 HydrophobicContact CG2-CE2 3.83Å; V222-Y237 HydrophobicContact CG2-CG 4.46Å; V222-W309 HydrophobicContact CG1-CB 4.26Å; V222-W309 HydrophobicContact CG1-CE3 4.27Å; V222-F314 HydrophobicContact CG2-CE1 4.44Å; V222-F314 HydrophobicContact CG2-CZ 3.95Å; V222-I335 HydrophobicContact CG1-CD1 4.25Å; V222-I335 HydrophobicContact CG1-CG1 4.15Å; V222-I335 HydrophobicContact CG2-CD1 4.21Å |
| 223 | R | 96.1 | Very high | 94.7 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | trans | -83.6 | 64.8 | -178.5 | -66.5 | -165.5 | 179.4 | 103.2 | -0.8 | 112.5 | L221 S225 S226 D234 | L221-R223 HydrophobicContact CD1-CG 4.24Å; L221-R223 HydrophobicContact CD2-CG 4.08Å; L221-R223 HydrophobicContact CG-CG 4.05Å; R223-S225 PolarHBondContact O-N 2.75Å; R223-S226 VanDerWaalsContact O-CB 3.27Å; R223-S226 WeakPolarHBondContact O-CB 3.29Å; R223-S226 PolarHBondContact O-N 2.84Å; R223-S226 VanDerWaalsContact O-N 3.07Å; R223-D234 WeakPolarHBondContact CA-OD1 3.47Å; R223-D234 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 224 | E | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22 | -179.5 | -61.1 | -170.5 | -164.4 | 0 | 0 | 113 | V222 S226 K235 Y237 W309 K339 | V222-E224 VanDerWaalsContact C-N 3.26Å; V222-E224 HydrophobicContact CB-CG 4.35Å; V222-E224 HydrophobicContact CG1-CG 3.66Å; V222-E224 PolarHBondContact O-N 3.3Å; E224-S226 PolarHBondContact O-N 3.08Å; E224-K235 WeakPolarHBondContact OE2-CD 3.14Å; E224-K235 WeakPolarHBondContact OE2-CE 3.47Å; E224-K235 IonicContact OE2-NZ 3.33Å; E224-K235 PolarHBondContact OE2-NZ 2.79Å; E224-Y237 PolarHBondContact OE1-OH 3.41Å; E224-W309 HydrophobicContact CB-CD2 4.38Å; E224-W309 HydrophobicContact CB-CH2 4.46Å; E224-W309 HydrophobicContact CB-CZ2 4.26Å; E224-W309 HydrophobicContact CG-CD2 4.12Å; E224-W309 HydrophobicContact CG-CE3 3.86Å; E224-W309 HydrophobicContact CG-CH2 4.22Å; E224-W309 HydrophobicContact CG-CZ2 4.44Å; E224-W309 HydrophobicContact CG-CZ3 3.92Å; E224-W309 PolarHBondContact O-NE1 3.06Å; E224-K339 WeakPolarHBondContact OE2-CE 3.5Å |
| 225 | S | 94.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 44 Ų | 44 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | 171.7 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | R223 G227 S228 D232 D234 | R223-S225 PolarHBondContact O-N 2.75Å; S225-G227 PolarHBondContact O-N 2.88Å; S225-S228 WeakPolarHBondContact O-CB 3.3Å; S225-S228 PolarHBondContact O-N 2.89Å; S225-D232 VanDerWaalsContact CA-O 3.23Å; S225-D232 WeakPolarHBondContact CA-O 3.19Å; S225-D232 VanDerWaalsContact CB-O 3.26Å; S225-D232 WeakPolarHBondContact CB-O 3.42Å; S225-D234 WeakPolarHBondContact CB-OD1 3.22Å; S225-D234 PolarHBondContact OG-OD1 3.4Å |
| 226 | S | 92 | Very high | 94.8 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 54% | 0.538 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 103.2 | -175 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | R223 E224 W309 | R223-S226 VanDerWaalsContact O-CB 3.27Å; R223-S226 WeakPolarHBondContact O-CB 3.29Å; R223-S226 PolarHBondContact O-N 2.84Å; R223-S226 VanDerWaalsContact O-N 3.07Å; E224-S226 PolarHBondContact O-N 3.08Å; S226-W309 PolarHBondContact O-NE1 3.13Å |
| 227 | G | 85.3 | Confident | 94.9 | Very high | 60 Ų | 60 | 41 Ų | 41 | 62% | 0.619 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 29.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | S225 R310 | S225-G227 PolarHBondContact O-N 2.88Å; G227-R310 PolarHBondContact O-NH2 3.3Å |
| 228 | S | 89 | Confident | 94.9 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | trans | -81 | 126.5 | 168.1 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | S225 D232 | S225-S228 WeakPolarHBondContact O-CB 3.3Å; S225-S228 PolarHBondContact O-N 2.89Å; S228-D232 WeakPolarHBondContact OG-CB 3.48Å; S228-D232 PolarHBondContact OG-N 2.82Å | ||
| 229 | Q | 90.4 | Very high | 95 | Very high | 178 Ų | 178 | 39.4 Ų | 39.4 | 83% | 0.832 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -83.7 | -29.2 | 174.2 | -65.5 | -179.1 | -3.8 | 0 | 0 | 111.3 | G231 N374 | Q229-G231 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 3.34Å; Q229-N374 PolarHBondContact O-ND2 2.87Å; Q229-N374 VanDerWaalsContact O-ND2 3.08Å |
| 230 | D | 91 | Very high | 95 | Very high | 115 Ų | 115 | 38.2 Ų | 38.2 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -85.6 | 3.1 | -176.6 | -49.4 | -57.7 | 0 | 0 | 0 | 113.4 | D232 T373 N374 | D230-D232 VanDerWaalsContact C-N 3.28Å; D230-D232 PolarHBondContact O-N 3.19Å; D230-T373 CarbonylContact O-C 3.59Å; D230-T373 WeakPolarHBondContact O-CA 3.38Å; D230-T373 WeakPolarHBondContact O-CB 3.27Å; D230-N374 PolarHBondContact O-N 3.37Å |
| 231 | G | 91.1 | Very high | 95 | Very high | 22 Ų | 22 | 38 Ų | 38 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | trans | 68 | 26.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q229 N374 | Q229-G231 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 3.34Å; G231-N374 PolarHBondContact N-ND2 2.94Å | ||
| 232 | D | 93.4 | Very high | 95 | Very high | 26 Ų | 26 | 36.1 Ų | 36.1 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | trans | -64.7 | 154.3 | 173.4 | -166.5 | 8.2 | 0 | 0 | 0 | 111.5 | S225 S228 D230 K235 C371 | S225-D232 VanDerWaalsContact CA-O 3.23Å; S225-D232 WeakPolarHBondContact CA-O 3.19Å; S225-D232 VanDerWaalsContact CB-O 3.26Å; S225-D232 WeakPolarHBondContact CB-O 3.42Å; S228-D232 WeakPolarHBondContact OG-CB 3.48Å; S228-D232 PolarHBondContact OG-N 2.82Å; D230-D232 VanDerWaalsContact C-N 3.28Å; D230-D232 PolarHBondContact O-N 3.19Å; D232-K235 IonicContact OD1-NZ 2.68Å; D232-K235 PolarHBondContact OD1-NZ 2.86Å; D232-K235 IonicContact OD2-NZ 3.4Å; D232-K235 PolarHBondContact OD2-NZ 2.87Å; D232-C371 WeakPolarHBondContact OD1-CB 3.26Å | ||
| 233 | D | 95.8 | Very high | 94.9 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | trans | -104.1 | 162.6 | -171.4 | -176.1 | 31.5 | 0 | 0 | 0 | 112.7 | K235 K263 G264 C371 | D233-K235 PolarHBondContact O-NZ 2.85Å; D233-K263 PolarHBondContact OD2-N 2.83Å; D233-K263 VanDerWaalsContact OD2-N 3.09Å; D233-G264 PolarHBondContact OD2-N 3.08Å; D233-C371 HydrophobicContact CB-CB 3.83Å | ||
| 234 | D | 97.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -58.1 | 144.4 | 167.5 | -71.3 | -9.1 | 0 | 0 | 0 | 110.9 | L221 R223 S225 K263 | L221-D234 HydrophobicContact CD1-CB 3.95Å; R223-D234 WeakPolarHBondContact CA-OD1 3.47Å; R223-D234 WeakPolarHBondContact CB-OD1 3.31Å; S225-D234 WeakPolarHBondContact CB-OD1 3.22Å; S225-D234 PolarHBondContact OG-OD1 3.4Å; D234-K263 HydrophobicContact CB-CB 3.95Å; D234-K263 HydrophobicContact CB-CD 3.99Å; D234-K263 WeakPolarHBondContact O-CB 3.42Å; D234-K263 PolarHBondContact O-N 2.94Å; D234-K263 WeakPolarHBondContact OD2-CE 3.49Å; D234-K263 IonicContact OD2-NZ 2.71Å; D234-K263 PolarHBondContact OD2-NZ 3.42Å | ||
| 235 | K | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.7 | -176.4 | -63.3 | 178.5 | -167.4 | 61.1 | 0 | 111.1 | V222 E224 D232 D233 Y237 V261 C371 | V222-K235 PolarHBondContact N-O 2.99Å; V222-K235 PolarHBondContact O-N 3.48Å; E224-K235 WeakPolarHBondContact OE2-CD 3.14Å; E224-K235 WeakPolarHBondContact OE2-CE 3.47Å; E224-K235 IonicContact OE2-NZ 3.33Å; E224-K235 PolarHBondContact OE2-NZ 2.79Å; D232-K235 IonicContact OD1-NZ 2.68Å; D232-K235 PolarHBondContact OD1-NZ 2.86Å; D232-K235 IonicContact OD2-NZ 3.4Å; D232-K235 PolarHBondContact OD2-NZ 2.87Å; D233-K235 PolarHBondContact O-NZ 2.85Å; K235-Y237 HydrophobicContact CB-CD2 4.2Å; K235-Y237 HydrophobicContact CB-CE2 3.69Å; K235-V261 CarbonylContact C-O 3.58Å; K235-V261 WeakPolarHBondContact CA-O 3.2Å; K235-C371 WeakPolarHBondContact CE-SG 3.47Å |
| 236 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.8 | 175.5 | -50.1 | -55.9 | 0 | 0 | 0 | 108.1 | L170 V172 Y177 L221 F238 R260 V261 | L170-I236 HydrophobicContact CD2-CG2 4Å; V172-I236 HydrophobicContact CG2-CD1 3.89Å; Y177-I236 HydrophobicContact CD1-CB 4.11Å; Y177-I236 HydrophobicContact CD1-CG1 3.68Å; Y177-I236 HydrophobicContact CD1-CG2 4.1Å; Y177-I236 HydrophobicContact CD2-CG1 4.33Å; Y177-I236 HydrophobicContact CE1-CB 4.43Å; Y177-I236 HydrophobicContact CE1-CG1 3.65Å; Y177-I236 HydrophobicContact CE2-CG1 4.35Å; Y177-I236 HydrophobicContact CG-CG1 4.02Å; Y177-I236 HydrophobicContact CG-CG2 4.18Å; L221-I236 HydrophobicContact CB-CD1 4.14Å; L221-I236 HydrophobicContact CD1-CD1 3.61Å; L221-I236 HydrophobicContact CG-CD1 4.46Å; I236-F238 HydrophobicContact CB-CE2 4.22Å; I236-F238 HydrophobicContact CG2-CD2 4.43Å; I236-F238 HydrophobicContact CG2-CE1 4.36Å; I236-F238 HydrophobicContact CG2-CE2 3.69Å; I236-F238 HydrophobicContact CG2-CZ 3.66Å; I236-R260 VanDerWaalsContact O-CA 3.28Å; I236-R260 WeakPolarHBondContact O-CA 3.46Å; I236-V261 HydrophobicContact CB-CG2 4.01Å; I236-V261 PolarHBondContact N-O 3.44Å; I236-V261 PolarHBondContact O-N 2.93Å |
| 237 | Y | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139.8 | 179.3 | -78.8 | -95.3 | 0 | 0 | 0 | 110.6 | S219 A220 V222 E224 K235 V258 A259 R260 F314 I335 V338 F342 | S219-Y237 CarbonylContact C-O 3.53Å; S219-Y237 WeakPolarHBondContact CA-O 3.34Å; S219-Y237 VanDerWaalsContact CB-O 3.29Å; S219-Y237 WeakPolarHBondContact CB-O 3.35Å; A220-Y237 PolarHBondContact N-O 2.87Å; A220-Y237 PolarHBondContact O-N 3.23Å; V222-Y237 HydrophobicContact CB-CD2 4.06Å; V222-Y237 HydrophobicContact CB-CE2 4Å; V222-Y237 HydrophobicContact CG2-CD2 3.57Å; V222-Y237 HydrophobicContact CG2-CE2 3.83Å; V222-Y237 HydrophobicContact CG2-CG 4.46Å; E224-Y237 PolarHBondContact OE1-OH 3.41Å; K235-Y237 HydrophobicContact CB-CD2 4.2Å; K235-Y237 HydrophobicContact CB-CE2 3.69Å; Y237-V258 HydrophobicContact CD1-CG2 3.65Å; Y237-V258 HydrophobicContact CE1-CG2 4.21Å; Y237-A259 CarbonylContact C-O 3.51Å; Y237-A259 VanDerWaalsContact CA-O 3.3Å; Y237-A259 WeakPolarHBondContact CA-O 3.33Å; Y237-R260 HydrophobicContact CD1-CB 4.07Å; Y237-R260 HydrophobicContact CE1-CB 3.93Å; Y237-R260 HydrophobicContact CE2-CB 4.46Å; Y237-R260 HydrophobicContact CG-CB 4.4Å; Y237-F314 HydrophobicContact CD1-CZ 4.48Å; Y237-F314 HydrophobicContact CG-CZ 4.32Å; Y237-I335 HydrophobicContact CE1-CD1 4.31Å; Y237-I335 HydrophobicContact CE2-CD1 4.01Å; Y237-V338 HydrophobicContact CE1-CG1 3.78Å; Y237-F342 AromaticContact CE1-CE2 3.96Å; Y237-F342 HydrophobicContact CE1-CE2 3.96Å |
| 238 | F | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.7 | 176.9 | -62.9 | -86.4 | 0 | 0 | 0 | 110.3 | T168 A179 I191 I236 V258 A259 V261 | T168-F238 HydrophobicContact CG2-CD1 4.36Å; A179-F238 HydrophobicContact CB-CD1 3.67Å; A179-F238 HydrophobicContact CB-CE1 3.92Å; I191-F238 HydrophobicContact CD1-CB 4.41Å; I191-F238 HydrophobicContact CD1-CD2 4.37Å; I191-F238 HydrophobicContact CD1-CG 4.31Å; I191-F238 HydrophobicContact CG2-CD2 4.01Å; I191-F238 HydrophobicContact CG2-CE1 4.1Å; I191-F238 HydrophobicContact CG2-CE2 3.52Å; I191-F238 HydrophobicContact CG2-CG 4.47Å; I191-F238 HydrophobicContact CG2-CZ 3.57Å; I236-F238 HydrophobicContact CB-CE2 4.22Å; I236-F238 HydrophobicContact CG2-CD2 4.43Å; I236-F238 HydrophobicContact CG2-CE1 4.36Å; I236-F238 HydrophobicContact CG2-CE2 3.69Å; I236-F238 HydrophobicContact CG2-CZ 3.66Å; F238-V258 WeakPolarHBondContact O-CA 3.38Å; F238-A259 PolarHBondContact N-O 3.49Å; F238-A259 PolarHBondContact O-N 2.77Å; F238-V261 HydrophobicContact CE2-CG2 4.12Å |
| 239 | F | 98.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.6 | -175.3 | -60.8 | -87.5 | 0 | 0 | 0 | 109.9 | V217 G218 A220 V258 L284 L298 V301 F314 | V217-F239 WeakPolarHBondContact CB-O 3.23Å; V217-F239 PolarHBondContact N-O 3.32Å; G218-F239 PolarHBondContact N-O 2.93Å; G218-F239 PolarHBondContact O-N 3Å; A220-F239 HydrophobicContact CB-CE2 4.5Å; F239-V258 HydrophobicContact CD1-CB 4.02Å; F239-V258 HydrophobicContact CD1-CG2 4Å; F239-V258 HydrophobicContact CE1-CB 3.84Å; F239-V258 HydrophobicContact CE1-CG2 3.47Å; F239-V258 VanDerWaalsContact CE1-CG2 3.47Å; F239-V258 HydrophobicContact CZ-CG2 3.93Å; F239-L284 HydrophobicContact CD1-CD2 4.12Å; F239-L284 HydrophobicContact CE1-CD2 4.48Å; F239-L298 HydrophobicContact CB-CD2 3.88Å; F239-V301 HydrophobicContact CB-CB 4.44Å; F239-V301 HydrophobicContact CB-CG2 3.77Å; F239-V301 HydrophobicContact CD1-CG1 4.43Å; F239-V301 HydrophobicContact CD1-CG2 4.17Å; F239-V301 HydrophobicContact CD2-CB 4.5Å; F239-V301 HydrophobicContact CD2-CG1 4.02Å; F239-V301 HydrophobicContact CE2-CG1 4.18Å; F239-V301 HydrophobicContact CG-CB 4.37Å; F239-V301 HydrophobicContact CG-CG1 4.16Å; F239-V301 HydrophobicContact CG-CG2 3.92Å; F239-V301 HydrophobicContact CZ-CG1 4.46Å; F239-F314 HydrophobicContact CE1-CB 4.5Å; F239-F314 HydrophobicContact CE1-CD1 4.43Å; F239-F314 HydrophobicContact CE1-CD2 4.4Å; F239-F314 HydrophobicContact CE1-CG 4.2Å; F239-F314 HydrophobicContact CE2-CD1 4.06Å; F239-F314 HydrophobicContact CE2-CE1 4.05Å; F239-F314 HydrophobicContact CZ-CB 4.37Å; F239-F314 AromaticContact CZ-CD1 3.53Å; F239-F314 HydrophobicContact CZ-CD1 3.53Å; F239-F314 AromaticContact CZ-CD2 4Å; F239-F314 HydrophobicContact CZ-CD2 4Å; F239-F314 AromaticContact CZ-CE1 3.66Å; F239-F314 HydrophobicContact CZ-CE1 3.66Å; F239-F314 HydrophobicContact CZ-CE2 4.1Å; F239-F314 AromaticContact CZ-CG 3.7Å; F239-F314 HydrophobicContact CZ-CG 3.7Å; F239-F314 AromaticContact CZ-CZ 3.93Å; F239-F314 HydrophobicContact CZ-CZ 3.93Å |
| 240 | F | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 161.9 | -174.5 | 55.3 | -86.7 | 0 | 0 | 0 | 111.4 | L211 P214 D215 F216 E242 R257 A259 K281 | L211-F240 HydrophobicContact CD2-CE1 4.25Å; L211-F240 HydrophobicContact CD2-CE2 3.9Å; L211-F240 HydrophobicContact CD2-CZ 3.63Å; P214-F240 HydrophobicContact CB-CB 4.44Å; P214-F240 HydrophobicContact CB-CD2 3.68Å; P214-F240 HydrophobicContact CB-CE2 4.23Å; P214-F240 HydrophobicContact CB-CG 4.32Å; D215-F240 VanDerWaalsContact O-CA 3.23Å; D215-F240 WeakPolarHBondContact O-CA 3.17Å; D215-F240 VanDerWaalsContact O-CB 3.22Å; D215-F240 WeakPolarHBondContact O-CB 3.3Å; F216-F240 HydrophobicContact CD1-CB 3.81Å; F216-F240 HydrophobicContact CD1-CD1 4.21Å; F216-F240 HydrophobicContact CD1-CG 4.15Å; F216-F240 HydrophobicContact CE1-CB 4.39Å; F216-F240 HydrophobicContact CE1-CD1 4.23Å; F216-F240 HydrophobicContact CE1-CG 4.27Å; F216-F240 HydrophobicContact CG-CB 4.5Å; F240-E242 HydrophobicContact CD2-CB 3.99Å; F240-E242 HydrophobicContact CD2-CG 4.48Å; F240-E242 HydrophobicContact CE2-CB 4Å; F240-E242 HydrophobicContact CE2-CG 4.13Å; F240-R257 HydrophobicContact CD1-CB 4.33Å; F240-R257 HydrophobicContact CD2-CB 3.95Å; F240-R257 HydrophobicContact CD2-CG 4.13Å; F240-R257 HydrophobicContact CE1-CB 4.08Å; F240-R257 HydrophobicContact CE2-CB 3.69Å; F240-R257 HydrophobicContact CE2-CG 3.67Å; F240-R257 HydrophobicContact CG-CB 4.27Å; F240-R257 HydrophobicContact CZ-CB 3.75Å; F240-R257 HydrophobicContact CZ-CG 4.09Å; F240-R257 PolarHBondContact N-O 2.86Å; F240-R257 PolarHBondContact O-N 3.19Å; F240-A259 HydrophobicContact CE1-CB 3.74Å; F240-A259 HydrophobicContact CZ-CB 4.27Å; F240-K281 HydrophobicContact CZ-CD 4.32Å |
| 241 | S | 98.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.2 | 161.8 | -57 | 0 | 0 | 0 | 0 | 108.4 | P214 D215 V255 L298 | P214-S241 CarbonylContact C-O 3.52Å; P214-S241 WeakPolarHBondContact CA-O 3.49Å; D215-S241 PolarHBondContact N-O 2.89Å; D215-S241 PolarHBondContact O-N 2.96Å; S241-V255 WeakPolarHBondContact CA-O 3.27Å; S241-L298 PolarHBondContact OG-N 2.68Å; S241-L298 PolarHBondContact OG-O 3.09Å |
| 242 | E | 96.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 162.5 | 172.9 | 76.4 | 170.6 | 176.3 | 0 | 0 | 111.1 | N212 P214 F240 A244 T254 V255 R257 K281 | N212-E242 PolarHBondContact N-OE2 3.03Å; N212-E242 VanDerWaalsContact N-OE2 3.11Å; N212-E242 WeakPolarHBondContact O-CB 3.38Å; P214-E242 HydrophobicContact CB-CB 4.21Å; F240-E242 HydrophobicContact CD2-CB 3.99Å; F240-E242 HydrophobicContact CD2-CG 4.48Å; F240-E242 HydrophobicContact CE2-CB 4Å; F240-E242 HydrophobicContact CE2-CG 4.13Å; E242-A244 PolarHBondContact O-N 2.8Å; E242-T254 CarbonylContact O-C 3.59Å; E242-T254 WeakPolarHBondContact O-CA 3.35Å; E242-V255 PolarHBondContact N-O 3.09Å; E242-V255 PolarHBondContact O-N 2.97Å; E242-R257 HydrophobicContact CG-CG 3.83Å; E242-R257 IonicContact OE1-CZ 3.59Å; E242-R257 VanDerWaalsContact OE1-CZ 3.23Å; E242-R257 IonicContact OE1-NE 3.79Å; E242-R257 PolarHBondContact OE1-NE 3.12Å; E242-R257 IonicContact OE1-NH2 2.8Å; E242-R257 PolarHBondContact OE1-NH2 2.97Å; E242-K281 VanDerWaalsContact OE1-CE 3.27Å; E242-K281 WeakPolarHBondContact OE1-CE 3.48Å; E242-K281 IonicContact OE1-NZ 2.76Å; E242-K281 PolarHBondContact OE1-NZ 2.91Å; E242-K281 IonicContact OE2-NZ 3.12Å; E242-K281 PolarHBondContact OE2-NZ 2.89Å |
| 243 | R | 95.4 | Very high | 89.3 | Confident | 77 Ų | 77 | 47 Ų | 47 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120.2 | 170.9 | 172.7 | -175.8 | 170.2 | 145.7 | 11.9 | 110 | N212 E213 E252 | N212-R243 WeakPolarHBondContact ND2-CB 3.29Å; N212-R243 WeakPolarHBondContact ND2-CG 3.4Å; N212-R243 PolarHBondContact ND2-O 2.85Å; N212-R243 PolarHBondContact O-N 2.76Å; E213-R243 WeakPolarHBondContact OE2-CD 3.39Å; E213-R243 IonicContact OE2-NH1 3Å; R243-E252 IonicContact CZ-OE1 2.67Å; R243-E252 IonicContact CZ-OE2 2.76Å; R243-E252 IonicContact NH1-OE1 3.23Å; R243-E252 PolarHBondContact NH1-OE1 2.82Å; R243-E252 IonicContact NH1-OE2 3.89Å; R243-E252 PolarHBondContact NH1-OE2 2.89Å; R243-E252 IonicContact NH2-OE1 2.67Å; R243-E252 PolarHBondContact NH2-OE1 3.35Å; R243-E252 IonicContact NH2-OE2 3.63Å |
| 244 | A | 93.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -63.6 | 141.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E242 L247 L253 V255 | E242-A244 PolarHBondContact O-N 2.8Å; A244-L247 HydrophobicContact CB-CB 4.23Å; A244-L247 HydrophobicContact CB-CD1 4.03Å; A244-L247 HydrophobicContact CB-CG 4.1Å; A244-L253 WeakPolarHBondContact CB-O 3.38Å; A244-L253 PolarHBondContact N-O 3.13Å; A244-V255 HydrophobicContact CB-CG1 4.04Å; A244-V255 HydrophobicContact CB-CG2 3.83Å | ||
| 245 | L | 90.1 | Very high | 89.1 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -105.3 | -19.8 | 168.3 | -65.7 | 175 | 0 | 0 | 0 | 111.2 | P208 N212 W356 | P208-L245 VanDerWaalsContact C-CD1 3.5Å; P208-L245 HydrophobicContact CB-CD1 3.72Å; P208-L245 WeakPolarHBondContact O-CD1 3.3Å; N212-L245 HydrophobicContact CB-CD1 4.43Å; N212-L245 HydrophobicContact CB-CG 4.45Å; N212-L245 WeakPolarHBondContact ND2-CD2 3.48Å; L245-W356 HydrophobicContact CB-CZ2 4.18Å; L245-W356 PolarHBondContact O-NE1 3.08Å |
| 246 | E | 90 | Very high | 89.1 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -96.2 | 3 | -169.8 | 82.2 | -79.4 | -166.5 | 0 | 0 | 115.2 | R257 K347 W356 L400 | E246-R257 VanDerWaalsContact CD-NH2 3.34Å; E246-R257 IonicContact OE1-CZ 3.78Å; E246-R257 IonicContact OE1-NH1 3.76Å; E246-R257 PolarHBondContact OE1-NH1 2.89Å; E246-R257 IonicContact OE1-NH2 3.53Å; E246-R257 PolarHBondContact OE1-NH2 2.83Å; E246-R257 VanDerWaalsContact OE1-NH2 3.11Å; E246-R257 IonicContact OE2-CZ 2.76Å; E246-R257 IonicContact OE2-NH1 3.92Å; E246-R257 IonicContact OE2-NH2 3.96Å; E246-R257 PolarHBondContact OE2-NH2 3.07Å; E246-K347 HydrophobicContact CB-CD 3.78Å; E246-K347 HydrophobicContact CG-CD 3.88Å; E246-W356 HydrophobicContact CB-CB 3.75Å; E246-W356 HydrophobicContact CB-CD2 4.13Å; E246-W356 HydrophobicContact CB-CG 3.72Å; E246-L400 HydrophobicContact CB-CD2 4.05Å; E246-L400 HydrophobicContact CG-CD2 4.05Å |
| 247 | L | 85.1 | Confident | 89.1 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | trans | -116.8 | 115.4 | 179.5 | -58.5 | 179.5 | 0 | 0 | 0 | 108.6 | A244 L253 V255 | A244-L247 HydrophobicContact CB-CB 4.23Å; A244-L247 HydrophobicContact CB-CD1 4.03Å; A244-L247 HydrophobicContact CB-CG 4.1Å; L247-L253 HydrophobicContact CB-CD2 4.47Å; L247-L253 HydrophobicContact CD1-CD2 3.65Å; L247-L253 HydrophobicContact CD1-CG 4.29Å; L247-V255 HydrophobicContact CD1-CG1 3.72Å | ||
| 248 | D | 72.9 | Confident | 89.1 | Confident | 157 Ų | 157 | 47.4 Ų | 47.4 | 84% | 0.84 | 25% | 0.254 | S | S | * | . | trans | -85.4 | 110.1 | 177.1 | -159.6 | 9.8 | 0 | 0 | 0 | 107.8 | ||||
| 249 | C | 69.1 | Low | 89.1 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | trans | -149.5 | 144.9 | -170.8 | -72.1 | 0 | 0 | 0 | 0 | 109.4 | T251 | C249-T251 WeakPolarHBondContact CB-O 3.34Å; C249-T251 PolarHBondContact O-N 2.91Å; C249-T251 VanDerWaalsContact O-N 3.15Å | ||
| 250 | D | 64.6 | Low | 89.1 | Confident | 181 Ų | 181 | 48 Ų | 48 | 97% | 0.968 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -65.9 | -15.2 | 178.2 | -58.5 | -55.6 | 0 | 0 | 0 | 113.5 | ||
| 251 | T | 71.1 | Confident | 89 | Confident | 108 Ų | 108 | 48 Ų | 48 | 66% | 0.663 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -121.7 | 148.1 | 175 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | C249 L253 | C249-T251 WeakPolarHBondContact CB-O 3.34Å; C249-T251 PolarHBondContact O-N 2.91Å; C249-T251 VanDerWaalsContact O-N 3.15Å; T251-L253 PolarHBondContact O-N 3.36Å; T251-L253 VanDerWaalsContact O-N 3.08Å |
| 252 | E | 75.8 | Confident | 89 | Confident | 138 Ų | 138 | 47.9 Ų | 47.9 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | trans | -69.6 | 104.8 | -178.6 | -53.2 | -169.4 | 153.8 | 0 | 0 | 110.5 | R243 | R243-E252 IonicContact CZ-OE1 2.67Å; R243-E252 IonicContact CZ-OE2 2.76Å; R243-E252 IonicContact NH1-OE1 3.23Å; R243-E252 PolarHBondContact NH1-OE1 2.82Å; R243-E252 IonicContact NH1-OE2 3.89Å; R243-E252 PolarHBondContact NH1-OE2 2.89Å; R243-E252 IonicContact NH2-OE1 2.67Å; R243-E252 PolarHBondContact NH2-OE1 3.35Å; R243-E252 IonicContact NH2-OE2 3.63Å | ||
| 253 | L | 87.8 | Confident | 89 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | trans | -93.6 | 111.8 | -170.5 | -177.1 | 55.2 | 0 | 0 | 0 | 112.5 | A244 L247 T251 | A244-L253 WeakPolarHBondContact CB-O 3.38Å; A244-L253 PolarHBondContact N-O 3.13Å; L247-L253 HydrophobicContact CB-CD2 4.47Å; L247-L253 HydrophobicContact CD1-CD2 3.65Å; L247-L253 HydrophobicContact CD1-CG 4.29Å; T251-L253 PolarHBondContact O-N 3.36Å; T251-L253 VanDerWaalsContact O-N 3.08Å | ||
| 254 | T | 93.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.3 | 166.5 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | E242 N296 | E242-T254 CarbonylContact O-C 3.59Å; E242-T254 WeakPolarHBondContact O-CA 3.35Å; T254-N296 VanDerWaalsContact O-CB 3.26Å; T254-N296 WeakPolarHBondContact O-CB 3.39Å |
| 255 | V | 95.6 | Very high | 89 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.9 | 171.1 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | S241 E242 A244 L247 R257 N296 | S241-V255 WeakPolarHBondContact CA-O 3.27Å; E242-V255 PolarHBondContact N-O 3.09Å; E242-V255 PolarHBondContact O-N 2.97Å; A244-V255 HydrophobicContact CB-CG1 4.04Å; A244-V255 HydrophobicContact CB-CG2 3.83Å; L247-V255 HydrophobicContact CD1-CG1 3.72Å; V255-R257 VanDerWaalsContact CG2-CZ 3.49Å; V255-N296 CarbonylContact C-O 3.57Å |
| 256 | A | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 142.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L284 N296 L298 F318 | A256-L284 HydrophobicContact CB-CB 4.35Å; A256-L284 WeakPolarHBondContact CB-O 3.44Å; A256-L284 PolarHBondContact O-N 2.85Å; A256-N296 PolarHBondContact N-O 3.25Å; A256-L298 HydrophobicContact CB-CB 3.81Å; A256-F318 HydrophobicContact CB-CD1 4.18Å; A256-F318 HydrophobicContact CB-CE1 3.68Å |
| 257 | R | 98.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.1 | -178.2 | -63.4 | -61.3 | -162.4 | -151 | -7.6 | 111.5 | F240 E242 E246 V255 A282 | F240-R257 HydrophobicContact CD1-CB 4.33Å; F240-R257 HydrophobicContact CD2-CB 3.95Å; F240-R257 HydrophobicContact CD2-CG 4.13Å; F240-R257 HydrophobicContact CE1-CB 4.08Å; F240-R257 HydrophobicContact CE2-CB 3.69Å; F240-R257 HydrophobicContact CE2-CG 3.67Å; F240-R257 HydrophobicContact CG-CB 4.27Å; F240-R257 HydrophobicContact CZ-CB 3.75Å; F240-R257 HydrophobicContact CZ-CG 4.09Å; F240-R257 PolarHBondContact N-O 2.86Å; F240-R257 PolarHBondContact O-N 3.19Å; E242-R257 HydrophobicContact CG-CG 3.83Å; E242-R257 IonicContact OE1-CZ 3.59Å; E242-R257 VanDerWaalsContact OE1-CZ 3.23Å; E242-R257 IonicContact OE1-NE 3.79Å; E242-R257 PolarHBondContact OE1-NE 3.12Å; E242-R257 IonicContact OE1-NH2 2.8Å; E242-R257 PolarHBondContact OE1-NH2 2.97Å; E246-R257 VanDerWaalsContact CD-NH2 3.34Å; E246-R257 IonicContact OE1-CZ 3.78Å; E246-R257 IonicContact OE1-NH1 3.76Å; E246-R257 PolarHBondContact OE1-NH1 2.89Å; E246-R257 IonicContact OE1-NH2 3.53Å; E246-R257 PolarHBondContact OE1-NH2 2.83Å; E246-R257 VanDerWaalsContact OE1-NH2 3.11Å; E246-R257 IonicContact OE2-CZ 2.76Å; E246-R257 IonicContact OE2-NH1 3.92Å; E246-R257 IonicContact OE2-NH2 3.96Å; E246-R257 PolarHBondContact OE2-NH2 3.07Å; V255-R257 VanDerWaalsContact CG2-CZ 3.49Å; R257-A282 WeakPolarHBondContact CA-O 3.16Å; R257-A282 WeakPolarHBondContact CD-O 3.34Å |
| 258 | V | 98.8 | Very high | 90 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.5 | 153.9 | 57.1 | 0 | 0 | 0 | 0 | 107.4 | Y237 F238 F239 K281 A282 L284 V338 F342 | Y237-V258 HydrophobicContact CD1-CG2 3.65Å; Y237-V258 HydrophobicContact CE1-CG2 4.21Å; F238-V258 WeakPolarHBondContact O-CA 3.38Å; F239-V258 HydrophobicContact CD1-CB 4.02Å; F239-V258 HydrophobicContact CD1-CG2 4Å; F239-V258 HydrophobicContact CE1-CB 3.84Å; F239-V258 HydrophobicContact CE1-CG2 3.47Å; F239-V258 VanDerWaalsContact CE1-CG2 3.47Å; F239-V258 HydrophobicContact CZ-CG2 3.93Å; V258-K281 CarbonylContact O-C 3.5Å; V258-K281 WeakPolarHBondContact O-CA 3.31Å; V258-A282 HydrophobicContact CG1-CB 4.31Å; V258-A282 PolarHBondContact N-O 2.99Å; V258-A282 PolarHBondContact O-N 3.28Å; V258-L284 HydrophobicContact CB-CD1 4.47Å; V258-L284 HydrophobicContact CG1-CB 4.46Å; V258-L284 HydrophobicContact CG1-CD1 4.22Å; V258-V338 HydrophobicContact CG1-CG1 4.2Å; V258-V338 HydrophobicContact CG2-CG1 4.21Å; V258-F342 HydrophobicContact CG1-CE2 4.39Å; V258-F342 HydrophobicContact CG1-CZ 4.29Å |
| 259 | A | 98.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 161.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y237 F238 F240 F279 Q280 K281 | Y237-A259 CarbonylContact C-O 3.51Å; Y237-A259 VanDerWaalsContact CA-O 3.3Å; Y237-A259 WeakPolarHBondContact CA-O 3.33Å; F238-A259 PolarHBondContact N-O 3.49Å; F238-A259 PolarHBondContact O-N 2.77Å; F240-A259 HydrophobicContact CE1-CB 3.74Å; F240-A259 HydrophobicContact CZ-CB 4.27Å; A259-F279 HydrophobicContact CB-CE2 3.78Å; A259-F279 HydrophobicContact CB-CZ 4.25Å; A259-Q280 CarbonylContact C-O 3.43Å; A259-Q280 WeakPolarHBondContact CA-O 3.24Å; A259-Q280 WeakPolarHBondContact CB-O 3.49Å; A259-K281 HydrophobicContact CB-CB 3.76Å |
| 260 | R | 98.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 156.3 | 176.6 | 69.4 | -178.6 | -168.1 | 162 | 4.6 | 112.5 | I236 Y237 F279 Q280 F342 | I236-R260 VanDerWaalsContact O-CA 3.28Å; I236-R260 WeakPolarHBondContact O-CA 3.46Å; Y237-R260 HydrophobicContact CD1-CB 4.07Å; Y237-R260 HydrophobicContact CE1-CB 3.93Å; Y237-R260 HydrophobicContact CE2-CB 4.46Å; Y237-R260 HydrophobicContact CG-CB 4.4Å; R260-F279 WeakPolarHBondContact O-CA 3.28Å; R260-Q280 HydrophobicContact CG-CB 4.47Å; R260-Q280 PolarHBondContact N-O 3.21Å; R260-Q280 PolarHBondContact O-N 2.79Å; R260-Q280 VanDerWaalsContact O-N 3.17Å; R260-F342 HydrophobicContact CG-CD1 4.31Å; R260-F342 HydrophobicContact CG-CD2 4.43Å; R260-F342 HydrophobicContact CG-CE1 4.15Å; R260-F342 HydrophobicContact CG-CE2 4.27Å; R260-F342 HydrophobicContact CG-CG 4.45Å; R260-F342 HydrophobicContact CG-CZ 4.12Å; R260-F342 VanDerWaalsContact CZ-CB 3.41Å |
| 261 | V | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.3 | 162.2 | -59.6 | 0 | 0 | 0 | 0 | 109 | Y177 K235 I236 F238 W276 F279 | Y177-V261 HydrophobicContact CE1-CG2 4.4Å; K235-V261 CarbonylContact C-O 3.58Å; K235-V261 WeakPolarHBondContact CA-O 3.2Å; I236-V261 HydrophobicContact CB-CG2 4.01Å; I236-V261 PolarHBondContact N-O 3.44Å; I236-V261 PolarHBondContact O-N 2.93Å; F238-V261 HydrophobicContact CE2-CG2 4.12Å; V261-W276 HydrophobicContact CB-CD2 4.29Å; V261-W276 HydrophobicContact CB-CE3 4.06Å; V261-W276 HydrophobicContact CB-CZ3 4.33Å; V261-W276 HydrophobicContact CG1-CB 4.32Å; V261-W276 HydrophobicContact CG1-CD2 3.83Å; V261-W276 HydrophobicContact CG1-CE3 4.1Å; V261-W276 HydrophobicContact CG1-CG 3.91Å; V261-W276 HydrophobicContact CG2-CE3 4.35Å; V261-W276 HydrophobicContact CG2-CH2 4.23Å; V261-W276 HydrophobicContact CG2-CZ2 4.5Å; V261-W276 HydrophobicContact CG2-CZ3 4.17Å; V261-F279 HydrophobicContact CG1-CB 4.14Å; V261-F279 HydrophobicContact CG1-CD2 4.1Å |
| 262 | C | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 144.6 | 171 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | D265 T278 C371 | C262-D265 WeakPolarHBondContact O-CB 3.42Å; C262-D265 PolarHBondContact O-N 3.41Å; C262-T278 HydrophobicContact CB-CG2 3.85Å; C262-T278 PolarHBondContact N-OG1 2.78Å; C262-C371 HydrophobicContact CB-CB 3.87Å; C262-C371 WeakPolarHBondContact CB-SG 3.43Å; C262-C371 WeakPolarHBondContact SG-CA 3.11Å; C262-C371 WeakPolarHBondContact SG-CB 3.36Å; C262-C371 PolarHBondContact SG-N 3.14Å; C262-C371 CovalentContact SG-SG 2.03Å; C262-C371 PolarHBondContact SG-SG 2.85Å |
| 263 | K | 96.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -46.8 | -177.1 | -170.4 | 179.5 | 67.2 | 177.3 | 0 | 111.6 | V172 D173 Y177 R193 D233 D234 D265 | V172-K263 HydrophobicContact CG1-CD 3.76Å; D173-K263 WeakPolarHBondContact OD2-CD 3.16Å; D173-K263 WeakPolarHBondContact OD2-CE 3.42Å; D173-K263 IonicContact OD2-NZ 3.72Å; D173-K263 PolarHBondContact OD2-NZ 3.5Å; Y177-K263 WeakPolarHBondContact OH-CG 3.1Å; Y177-K263 PolarHBondContact OH-O 3.41Å; R193-K263 PolarHBondContact NH1-O 2.9Å; D233-K263 PolarHBondContact OD2-N 2.83Å; D233-K263 VanDerWaalsContact OD2-N 3.09Å; D234-K263 HydrophobicContact CB-CB 3.95Å; D234-K263 HydrophobicContact CB-CD 3.99Å; D234-K263 WeakPolarHBondContact O-CB 3.42Å; D234-K263 PolarHBondContact O-N 2.94Å; D234-K263 WeakPolarHBondContact OD2-CE 3.49Å; D234-K263 IonicContact OD2-NZ 2.71Å; D234-K263 PolarHBondContact OD2-NZ 3.42Å; K263-D265 VanDerWaalsContact C-N 3.26Å; K263-D265 PolarHBondContact O-N 3.02Å |
| 264 | G | 94.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 46% | 0.464 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 14.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D233 L266 | D233-G264 PolarHBondContact OD2-N 3.08Å; G264-L266 PolarHBondContact O-N 2.75Å |
| 265 | D | 96.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | trans | -67.9 | 126.9 | 173.7 | -173.3 | -19.2 | 0 | 0 | 0 | 110.5 | R193 M202 C262 K263 G267 W276 T277 T278 | R193-D265 PolarHBondContact NH1-O 2.79Å; R193-D265 PolarHBondContact NH2-O 2.88Å; M202-D265 VanDerWaalsContact CE-OD1 3.24Å; M202-D265 WeakPolarHBondContact CE-OD1 3.11Å; C262-D265 WeakPolarHBondContact O-CB 3.42Å; C262-D265 PolarHBondContact O-N 3.41Å; K263-D265 VanDerWaalsContact C-N 3.26Å; K263-D265 PolarHBondContact O-N 3.02Å; D265-G267 PolarHBondContact OD1-N 2.9Å; D265-W276 HydrophobicContact CB-CE3 3.88Å; D265-W276 HydrophobicContact CB-CZ3 3.99Å; D265-W276 WeakPolarHBondContact OD2-CA 3.41Å; D265-T277 PolarHBondContact OD1-N 3.44Å; D265-T277 PolarHBondContact OD2-N 3.46Å; D265-T278 HydrophobicContact CB-CG2 4.04Å; D265-T278 WeakPolarHBondContact OD2-CB 3.46Å; D265-T278 WeakPolarHBondContact OD2-CG2 3.36Å; D265-T278 PolarHBondContact OD2-N 2.8Å; D265-T278 PolarHBondContact OD2-OG1 3.42Å | ||
| 266 | L | 95 | Very high | 96.5 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 18% | 0.183 | 17% | 0.172 | C | C | . | . | trans | -112.7 | 1.4 | -177.7 | -51.9 | -173.4 | 0 | 0 | 0 | 112.4 | Y200 G264 S384 L385 | Y200-L266 WeakPolarHBondContact OH-CB 3.31Å; G264-L266 PolarHBondContact O-N 2.75Å; L266-S384 WeakPolarHBondContact CA-OG 3.41Å; L266-S384 WeakPolarHBondContact CB-OG 3.44Å; L266-S384 PolarHBondContact N-OG 2.9Å; L266-L385 HydrophobicContact CB-CD1 4.14Å; L266-L385 HydrophobicContact CB-CG 3.99Å; L266-L385 HydrophobicContact CD1-CD1 4.04Å | ||
| 267 | G | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 81.8 | -177.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D265 K275 S384 L385 | D265-G267 PolarHBondContact OD1-N 2.9Å; G267-K275 VanDerWaalsContact CA-O 3.29Å; G267-K275 WeakPolarHBondContact CA-O 3.3Å; G267-S384 PolarHBondContact N-OG 3.03Å; G267-S384 CarbonylContact O-C 3.51Å; G267-S384 VanDerWaalsContact O-CB 3.32Å; G267-S384 WeakPolarHBondContact O-CB 3.4Å; G267-S384 PolarHBondContact O-OG 3.15Å; G267-L385 WeakPolarHBondContact O-CA 3.36Å; G267-L385 WeakPolarHBondContact O-CD2 2.98Å; G267-L385 PolarHBondContact O-N 3.26Å; G267-L385 VanDerWaalsContact O-N 3.14Å | ||
| 268 | G | 95.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -105.7 | 154.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T271 L272 Q273 | G268-T271 CarbonylContact C-O 3.48Å; G268-T271 VanDerWaalsContact CA-O 3.26Å; G268-T271 WeakPolarHBondContact CA-O 3.42Å; G268-L272 PolarHBondContact N-O 3.12Å; G268-Q273 WeakPolarHBondContact O-CA 3.38Å; G268-Q273 WeakPolarHBondContact O-CG 3.34Å | ||
| 269 | T | 93.8 | Very high | 96.5 | Very high | 91 Ų | 91 | 35 Ų | 35 | 56% | 0.558 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -70.6 | -32.1 | -175.1 | -66 | 0 | 0 | 0 | 0 | 113.9 | Q273 L385 | T269-Q273 WeakPolarHBondContact O-CG 3.33Å; T269-Q273 PolarHBondContact O-NE2 2.7Å; T269-L385 WeakPolarHBondContact CB-O 3.34Å; T269-L385 PolarHBondContact OG1-O 3.07Å |
| 270 | R | 93.9 | Very high | 96.4 | Very high | 180 Ų | 180 | 35.1 Ų | 35.1 | 68% | 0.679 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -125.7 | -62.5 | -179.3 | -177.3 | 171.8 | 68.3 | 143.4 | -4.9 | 111.7 | D389 | R270-D389 IonicContact CZ-OD2 2.64Å; R270-D389 IonicContact NE-OD1 2.84Å; R270-D389 IonicContact NE-OD2 3.33Å; R270-D389 PolarHBondContact NE-OD2 2.85Å; R270-D389 IonicContact NH2-OD2 3.16Å; R270-D389 PolarHBondContact NH2-OD2 3.02Å |
| 271 | T | 96.2 | Very high | 96.5 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 143.9 | 165.6 | -55 | 0 | 0 | 0 | 0 | 109.3 | G268 Q273 D389 L392 N393 | G268-T271 CarbonylContact C-O 3.48Å; G268-T271 VanDerWaalsContact CA-O 3.26Å; G268-T271 WeakPolarHBondContact CA-O 3.42Å; T271-Q273 PolarHBondContact O-N 2.85Å; T271-D389 WeakPolarHBondContact CB-OD1 3.09Å; T271-D389 PolarHBondContact N-OD1 2.79Å; T271-D389 VanDerWaalsContact N-OD1 3.11Å; T271-D389 PolarHBondContact OG1-OD1 3.36Å; T271-L392 HydrophobicContact CG2-CB 3.72Å; T271-N393 PolarHBondContact OG1-ND2 2.89Å |
| 272 | L | 96.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 38.7 | 177.5 | -67 | 165.9 | 0 | 0 | 0 | 115 | E205 W210 G268 K274 K275 T277 L392 K396 | E205-L272 HydrophobicContact CG-CD2 3.69Å; W210-L272 HydrophobicContact CH2-CD2 4.02Å; W210-L272 HydrophobicContact CZ2-CD2 3.95Å; G268-L272 PolarHBondContact N-O 3.12Å; L272-K274 PolarHBondContact O-N 2.86Å; L272-K275 HydrophobicContact CB-CB 3.95Å; L272-K275 HydrophobicContact CD2-CB 3.56Å; L272-K275 HydrophobicContact CD2-CG 4.3Å; L272-K275 HydrophobicContact CG-CB 4.38Å; L272-K275 PolarHBondContact O-N 2.94Å; L272-T277 HydrophobicContact CB-CG2 4.44Å; L272-L392 HydrophobicContact CD1-CB 4.39Å; L272-L392 HydrophobicContact CD1-CD2 4.46Å; L272-L392 WeakPolarHBondContact CD1-O 3.47Å; L272-K396 HydrophobicContact CD1-CB 4.2Å; L272-K396 HydrophobicContact CD2-CB 4.25Å; L272-K396 HydrophobicContact CD2-CD 4.12Å; L272-K396 HydrophobicContact CD2-CG 4.34Å; L272-K396 HydrophobicContact CG-CB 4.34Å; L272-K396 HydrophobicContact CG-CD 4.49Å |
| 273 | Q | 95.6 | Very high | 96.4 | Very high | 126 Ų | 126 | 36.4 Ų | 36.4 | 59% | 0.589 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 121.6 | 170.9 | -74.1 | 177.1 | -13.1 | 0 | 0 | 111.7 | G268 T269 T271 K275 | G268-Q273 WeakPolarHBondContact O-CA 3.38Å; G268-Q273 WeakPolarHBondContact O-CG 3.34Å; T269-Q273 WeakPolarHBondContact O-CG 3.33Å; T269-Q273 PolarHBondContact O-NE2 2.7Å; T271-Q273 PolarHBondContact O-N 2.85Å; Q273-K275 PolarHBondContact O-N 2.86Å |
| 274 | K | 93.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 34.7 Ų | 34.7 | 55% | 0.552 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 27 | -174.7 | -54.1 | -178 | -178.7 | 179.5 | 0 | 113.4 | Y200 M202 K203 L272 | Y200-K274 HydrophobicContact CD2-CG 4.13Å; M202-K274 VanDerWaalsContact SD-C 3.55Å; K203-K274 PolarHBondContact N-O 2.89Å; L272-K274 PolarHBondContact O-N 2.86Å |
| 275 | K | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 15% | 0.148 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -126.5 | 143.2 | 177.1 | -59.8 | -64.3 | -176.8 | 124.5 | 0 | 110 | M202 K203 S204 E205 G267 L272 Q273 T277 | M202-K275 VanDerWaalsContact CE-C 3.49Å; M202-K275 WeakPolarHBondContact CE-O 3.13Å; K203-K275 HydrophobicContact CG-CD 3.85Å; K203-K275 VanDerWaalsContact O-CA 3.26Å; K203-K275 WeakPolarHBondContact O-CA 3.38Å; K203-K275 WeakPolarHBondContact O-CD 3.46Å; S204-K275 WeakPolarHBondContact O-CD 3.35Å; S204-K275 PolarHBondContact O-NZ 2.93Å; E205-K275 HydrophobicContact CG-CB 4.47Å; E205-K275 HydrophobicContact CG-CD 4.36Å; E205-K275 HydrophobicContact CG-CG 4.28Å; E205-K275 VanDerWaalsContact OE2-CE 3.29Å; E205-K275 WeakPolarHBondContact OE2-CE 3.2Å; E205-K275 IonicContact OE2-NZ 2.72Å; E205-K275 PolarHBondContact OE2-NZ 3.39Å; G267-K275 VanDerWaalsContact CA-O 3.29Å; G267-K275 WeakPolarHBondContact CA-O 3.3Å; L272-K275 HydrophobicContact CB-CB 3.95Å; L272-K275 HydrophobicContact CD2-CB 3.56Å; L272-K275 HydrophobicContact CD2-CG 4.3Å; L272-K275 HydrophobicContact CG-CB 4.38Å; L272-K275 PolarHBondContact O-N 2.94Å; Q273-K275 PolarHBondContact O-N 2.86Å; K275-T277 PolarHBondContact O-N 2.79Å |
| 276 | W | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | trans | -52.2 | 125.7 | 178.6 | -58.6 | 117.5 | 0 | 0 | 0 | 112.1 | Y177 I191 R193 M202 K203 W210 V261 D265 F279 | Y177-W276 HydrophobicContact CD1-CH2 4.22Å; Y177-W276 AromaticContact CE1-CH2 3.84Å; Y177-W276 HydrophobicContact CE1-CH2 3.84Å; I191-W276 PolarHBondContact O-NE1 3.23Å; R193-W276 HydrophobicContact CB-CH2 3.47Å; R193-W276 VanDerWaalsContact CB-CH2 3.47Å; R193-W276 HydrophobicContact CB-CZ2 3.67Å; R193-W276 HydrophobicContact CG-CH2 4.44Å; M202-W276 HydrophobicContact CB-CD2 4.38Å; M202-W276 HydrophobicContact CB-CE3 4.31Å; M202-W276 HydrophobicContact CB-CH2 3.83Å; M202-W276 HydrophobicContact CB-CZ2 3.89Å; M202-W276 HydrophobicContact CB-CZ3 4.04Å; M202-W276 HydrophobicContact CE-CD2 4.1Å; M202-W276 HydrophobicContact CE-CE3 3.61Å; M202-W276 HydrophobicContact CE-CZ3 4.07Å; K203-W276 VanDerWaalsContact C-CD1 3.43Å; K203-W276 PolarHBondContact O-N 3.19Å; W210-W276 HydrophobicContact CH2-CB 4.43Å; W210-W276 WeakPolarHBondContact CH2-O 3.5Å; W210-W276 HydrophobicContact CZ3-CB 4.25Å; V261-W276 HydrophobicContact CB-CD2 4.29Å; V261-W276 HydrophobicContact CB-CE3 4.06Å; V261-W276 HydrophobicContact CB-CZ3 4.33Å; V261-W276 HydrophobicContact CG1-CB 4.32Å; V261-W276 HydrophobicContact CG1-CD2 3.83Å; V261-W276 HydrophobicContact CG1-CE3 4.1Å; V261-W276 HydrophobicContact CG1-CG 3.91Å; V261-W276 HydrophobicContact CG2-CE3 4.35Å; V261-W276 HydrophobicContact CG2-CH2 4.23Å; V261-W276 HydrophobicContact CG2-CZ2 4.5Å; V261-W276 HydrophobicContact CG2-CZ3 4.17Å; D265-W276 HydrophobicContact CB-CE3 3.88Å; D265-W276 HydrophobicContact CB-CZ3 3.99Å; D265-W276 WeakPolarHBondContact OD2-CA 3.41Å; W276-F279 HydrophobicContact CB-CB 3.76Å; W276-F279 HydrophobicContact CG-CB 4.43Å | ||
| 277 | T | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87.5 | -16.9 | 166.3 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | D265 L272 K275 S384 L392 | D265-T277 PolarHBondContact OD1-N 3.44Å; D265-T277 PolarHBondContact OD2-N 3.46Å; L272-T277 HydrophobicContact CB-CG2 4.44Å; K275-T277 PolarHBondContact O-N 2.79Å; T277-S384 WeakPolarHBondContact OG1-CB 3.47Å; T277-L392 HydrophobicContact CG2-CD2 3.43Å; T277-L392 VanDerWaalsContact CG2-CD2 3.43Å |
| 278 | T | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -104.3 | 3.8 | -172.5 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | C262 D265 Q280 S370 | C262-T278 HydrophobicContact CB-CG2 3.85Å; C262-T278 PolarHBondContact N-OG1 2.78Å; D265-T278 HydrophobicContact CB-CG2 4.04Å; D265-T278 WeakPolarHBondContact OD2-CB 3.46Å; D265-T278 WeakPolarHBondContact OD2-CG2 3.36Å; D265-T278 PolarHBondContact OD2-N 2.8Å; D265-T278 PolarHBondContact OD2-OG1 3.42Å; T278-Q280 PolarHBondContact O-N 3.42Å; T278-S370 WeakPolarHBondContact CG2-O 3.41Å |
| 279 | F | 98.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | trans | -69 | 119.4 | 179.4 | 179.6 | -101.4 | 0 | 0 | 0 | 112.2 | I191 W210 L211 A259 R260 V261 W276 K281 P399 | I191-F279 HydrophobicContact CD1-CD2 4.46Å; I191-F279 HydrophobicContact CD1-CE2 3.67Å; I191-F279 HydrophobicContact CD1-CZ 4.41Å; W210-F279 HydrophobicContact CB-CE1 4.1Å; W210-F279 AromaticContact CD2-CD1 3.72Å; W210-F279 HydrophobicContact CD2-CD1 3.72Å; W210-F279 HydrophobicContact CD2-CE1 4.04Å; W210-F279 HydrophobicContact CE3-CB 4.16Å; W210-F279 AromaticContact CE3-CD1 3.24Å; W210-F279 HydrophobicContact CE3-CD1 3.24Å; W210-F279 AromaticContact CE3-CE1 3.73Å; W210-F279 HydrophobicContact CE3-CE1 3.73Å; W210-F279 AromaticContact CE3-CG 3.78Å; W210-F279 HydrophobicContact CE3-CG 3.78Å; W210-F279 HydrophobicContact CG-CD1 4.34Å; W210-F279 HydrophobicContact CG-CE1 4.22Å; W210-F279 HydrophobicContact CH2-CB 4.07Å; W210-F279 HydrophobicContact CH2-CD1 4.37Å; W210-F279 HydrophobicContact CZ3-CB 3.6Å; W210-F279 AromaticContact CZ3-CD1 3.62Å; W210-F279 HydrophobicContact CZ3-CD1 3.62Å; W210-F279 AromaticContact CZ3-CG 3.74Å; W210-F279 HydrophobicContact CZ3-CG 3.74Å; L211-F279 HydrophobicContact CD2-CZ 4.31Å; A259-F279 HydrophobicContact CB-CE2 3.78Å; A259-F279 HydrophobicContact CB-CZ 4.25Å; R260-F279 WeakPolarHBondContact O-CA 3.28Å; V261-F279 HydrophobicContact CG1-CB 4.14Å; V261-F279 HydrophobicContact CG1-CD2 4.1Å; W276-F279 HydrophobicContact CB-CB 3.76Å; W276-F279 HydrophobicContact CG-CB 4.43Å; F279-K281 HydrophobicContact CZ-CB 4.35Å; F279-K281 HydrophobicContact CZ-CD 4.48Å; F279-P399 HydrophobicContact CD1-CB 3.86Å; F279-P399 HydrophobicContact CE1-CB 3.9Å | ||
| 280 | Q | 98.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.5 | 172 | -60.9 | 177.1 | -35 | 0 | 0 | 109.4 | A259 R260 T278 F342 P368 G369 P399 M401 | A259-Q280 CarbonylContact C-O 3.43Å; A259-Q280 WeakPolarHBondContact CA-O 3.24Å; A259-Q280 WeakPolarHBondContact CB-O 3.49Å; R260-Q280 HydrophobicContact CG-CB 4.47Å; R260-Q280 PolarHBondContact N-O 3.21Å; R260-Q280 PolarHBondContact O-N 2.79Å; R260-Q280 VanDerWaalsContact O-N 3.17Å; T278-Q280 PolarHBondContact O-N 3.42Å; Q280-F342 HydrophobicContact CB-CD1 3.59Å; Q280-F342 HydrophobicContact CB-CE1 3.7Å; Q280-P368 PolarHBondContact NE2-O 2.67Å; Q280-G369 PolarHBondContact NE2-O 2.8Å; Q280-G369 PolarHBondContact OE1-O 3.49Å; Q280-P399 CarbonylContact C-O 3.56Å; Q280-P399 WeakPolarHBondContact CA-O 3.33Å; Q280-M401 HydrophobicContact CB-SD 4.47Å |
| 281 | K | 98.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.1 | 171.5 | 71.2 | 177.8 | 177.2 | -173.7 | 0 | 112.5 | A209 W210 F240 E242 V258 A259 F279 P399 L400 M401 | A209-K281 WeakPolarHBondContact O-CE 3.36Å; A209-K281 PolarHBondContact O-NZ 2.94Å; W210-K281 WeakPolarHBondContact O-CD 2.95Å; W210-K281 WeakPolarHBondContact O-CE 3.35Å; W210-K281 PolarHBondContact O-NZ 3.41Å; F240-K281 HydrophobicContact CZ-CD 4.32Å; E242-K281 VanDerWaalsContact OE1-CE 3.27Å; E242-K281 WeakPolarHBondContact OE1-CE 3.48Å; E242-K281 IonicContact OE1-NZ 2.76Å; E242-K281 PolarHBondContact OE1-NZ 2.91Å; E242-K281 IonicContact OE2-NZ 3.12Å; E242-K281 PolarHBondContact OE2-NZ 2.89Å; V258-K281 CarbonylContact O-C 3.5Å; V258-K281 WeakPolarHBondContact O-CA 3.31Å; A259-K281 HydrophobicContact CB-CB 3.76Å; F279-K281 HydrophobicContact CZ-CB 4.35Å; F279-K281 HydrophobicContact CZ-CD 4.48Å; K281-P399 PolarHBondContact N-O 3.09Å; K281-L400 HydrophobicContact CG-CD1 4.11Å; K281-L400 WeakPolarHBondContact O-CA 3.29Å; K281-M401 PolarHBondContact O-N 2.91Å |
| 282 | A | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | R257 V258 V341 F342 M401 | R257-A282 WeakPolarHBondContact CA-O 3.16Å; R257-A282 WeakPolarHBondContact CD-O 3.34Å; V258-A282 HydrophobicContact CG1-CB 4.31Å; V258-A282 PolarHBondContact N-O 2.99Å; V258-A282 PolarHBondContact O-N 3.28Å; A282-V341 HydrophobicContact CB-CG1 3.55Å; A282-F342 HydrophobicContact CB-CE1 4.09Å; A282-F342 HydrophobicContact CB-CZ 4.09Å; A282-M401 HydrophobicContact CB-CB 4.12Å; A282-M401 HydrophobicContact CB-CG 4.14Å |
| 283 | R | 97.4 | Very high | 92.9 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.6 | 172 | -170.9 | 176.4 | 178 | -169.3 | -1.3 | 109.9 | E285 N296 K404 A405 | R283-E285 IonicContact CZ-OE1 3.33Å; R283-E285 IonicContact NE-OE1 3.11Å; R283-E285 IonicContact NH1-OE1 2.85Å; R283-E285 PolarHBondContact NH1-OE1 2.87Å; R283-E285 IonicContact NH2-OE1 2.89Å; R283-N296 PolarHBondContact NH2-OD1 3.38Å; R283-K404 HydrophobicContact CB-CB 4.09Å; R283-A405 PolarHBondContact O-N 2.75Å |
| 284 | L | 97.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 101.2 | 171.8 | -170.5 | 71.2 | 0 | 0 | 0 | 107.1 | F239 A256 V258 L298 F318 Y333 A405 | F239-L284 HydrophobicContact CD1-CD2 4.12Å; F239-L284 HydrophobicContact CE1-CD2 4.48Å; A256-L284 HydrophobicContact CB-CB 4.35Å; A256-L284 WeakPolarHBondContact CB-O 3.44Å; A256-L284 PolarHBondContact O-N 2.85Å; V258-L284 HydrophobicContact CB-CD1 4.47Å; V258-L284 HydrophobicContact CG1-CB 4.46Å; V258-L284 HydrophobicContact CG1-CD1 4.22Å; L284-L298 HydrophobicContact CD2-CD2 4.41Å; L284-F318 HydrophobicContact CD2-CE1 4.43Å; L284-F318 HydrophobicContact CD2-CZ 3.97Å; L284-F318 HydrophobicContact CG-CZ 4.2Å; L284-Y333 HydrophobicContact CD1-CD1 3.51Å; L284-Y333 HydrophobicContact CD1-CD2 3.82Å; L284-Y333 HydrophobicContact CD1-CE1 3.48Å; L284-Y333 VanDerWaalsContact CD1-CE1 3.48Å; L284-Y333 HydrophobicContact CD1-CE2 3.84Å; L284-Y333 HydrophobicContact CD1-CG 3.68Å; L284-Y333 HydrophobicContact CD2-CE2 4.18Å; L284-Y333 HydrophobicContact CG-CD1 4.44Å; L284-Y333 HydrophobicContact CG-CD2 4.37Å; L284-Y333 HydrophobicContact CG-CE1 3.96Å; L284-Y333 HydrophobicContact CG-CE2 3.93Å; L284-A405 HydrophobicContact CD1-CB 3.95Å |
| 285 | E | 95.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.3 | -172.7 | -167.2 | -176.2 | -87.5 | 0 | 0 | 110.8 | R283 S287 Y333 K404 A405 L406 G407 | R283-E285 IonicContact CZ-OE1 3.33Å; R283-E285 IonicContact NE-OE1 3.11Å; R283-E285 IonicContact NH1-OE1 2.85Å; R283-E285 PolarHBondContact NH1-OE1 2.87Å; R283-E285 IonicContact NH2-OE1 2.89Å; E285-S287 PolarHBondContact OE2-OG 2.94Å; E285-Y333 PolarHBondContact O-OH 3.44Å; E285-K404 HydrophobicContact CB-CD 4.16Å; E285-K404 WeakPolarHBondContact OE1-CD 3.48Å; E285-K404 IonicContact OE1-NZ 2.64Å; E285-K404 PolarHBondContact OE1-NZ 2.85Å; E285-K404 IonicContact OE2-NZ 2.77Å; E285-K404 PolarHBondContact OE2-NZ 3.04Å; E285-A405 PolarHBondContact N-O 2.8Å; E285-L406 HydrophobicContact CB-CD2 4.37Å; E285-L406 WeakPolarHBondContact OE2-CD2 3.26Å; E285-G407 PolarHBondContact O-N 2.78Å |
| 286 | C | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 114.1 | 168.4 | -174.1 | 0 | 0 | 0 | 0 | 107.3 | S294 F295 F318 C331 Y333 G407 | C286-S294 CarbonylContact O-C 3.53Å; C286-S294 WeakPolarHBondContact O-CA 3.4Å; C286-F295 HydrophobicContact CB-CB 4.17Å; C286-F295 PolarHBondContact O-N 3.07Å; C286-F318 HydrophobicContact CB-CB 4.41Å; C286-F318 HydrophobicContact CB-CD1 3.85Å; C286-F318 HydrophobicContact CB-CD2 3.66Å; C286-F318 HydrophobicContact CB-CE1 3.91Å; C286-F318 HydrophobicContact CB-CE2 3.77Å; C286-F318 HydrophobicContact CB-CG 3.73Å; C286-F318 HydrophobicContact CB-CZ 3.88Å; C286-C331 WeakPolarHBondContact CA-SG 3.48Å; C286-C331 HydrophobicContact CB-CB 3.79Å; C286-C331 WeakPolarHBondContact CB-SG 3.28Å; C286-C331 WeakPolarHBondContact SG-CB 3.36Å; C286-C331 CovalentContact SG-SG 2.04Å; C286-C331 PolarHBondContact SG-SG 3.31Å; C286-Y333 WeakPolarHBondContact CA-OH 3.35Å; C286-Y333 WeakPolarHBondContact CB-OH 3.3Å; C286-Y333 PolarHBondContact N-OH 2.9Å; C286-G407 WeakPolarHBondContact CA-O 3.21Å |
| 287 | S | 92.3 | Very high | 92 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 157.5 | -171.5 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | E285 V293 G407 P409 | E285-S287 PolarHBondContact OE2-OG 2.94Å; S287-V293 WeakPolarHBondContact CA-O 3.49Å; S287-V293 WeakPolarHBondContact CB-O 3.19Å; S287-G407 PolarHBondContact N-O 2.74Å; S287-P409 WeakPolarHBondContact O-CD 3.28Å |
| 288 | L | 86.5 | Confident | 92 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 86.2 | 169.3 | -70.2 | 172.1 | 0 | 0 | 0 | 108.3 | L21 W23 E290 R291 H292 V293 P409 L412 | L21-L288 HydrophobicContact CD2-CD1 3.87Å; L21-L288 HydrophobicContact CD2-CD2 4.11Å; W23-L288 HydrophobicContact CZ2-CD1 3.79Å; L288-E290 PolarHBondContact O-N 2.82Å; L288-R291 CarbonylContact O-C 3.58Å; L288-R291 PolarHBondContact O-N 2.9Å; L288-H292 PolarHBondContact O-N 2.69Å; L288-H292 VanDerWaalsContact O-N 3.15Å; L288-V293 PolarHBondContact N-O 2.91Å; L288-V293 PolarHBondContact O-N 3Å; L288-P409 HydrophobicContact CD1-CG 4.29Å; L288-P409 HydrophobicContact CD2-CG 4.3Å; L288-P409 HydrophobicContact CG-CG 3.95Å; L288-L412 HydrophobicContact CD1-CD2 4.2Å |
| 289 | P | 84.2 | Confident | 91.9 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -54.9 | -35.3 | -177.5 | -27.4 | 36 | 0 | 0 | 0 | 113.5 | R291 H292 | P289-R291 PolarHBondContact O-N 2.87Å; P289-R291 VanDerWaalsContact O-N 3.11Å; P289-H292 PolarHBondContact O-N 3.01Å; P289-H292 VanDerWaalsContact O-N 3.1Å |
| 290 | E | 83.3 | Confident | 91.9 | Very high | 120 Ų | 120 | 39.5 Ų | 39.5 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -66.8 | -11.4 | -179.1 | -54.3 | 72.8 | -155.1 | 0 | 0 | 113.3 | L288 R408 | L288-E290 PolarHBondContact O-N 2.82Å; E290-R408 IonicContact OE1-CZ 3.21Å; E290-R408 VanDerWaalsContact OE1-CZ 3.23Å; E290-R408 IonicContact OE1-NH1 2.9Å; E290-R408 PolarHBondContact OE1-NH1 2.8Å; E290-R408 IonicContact OE1-NH2 3.82Å; E290-R408 PolarHBondContact OE1-NH2 2.9Å; E290-R408 IonicContact OE2-CZ 2.78Å; E290-R408 IonicContact OE2-NH1 3.89Å; E290-R408 PolarHBondContact OE2-NH1 3.19Å |
| 291 | R | 77.9 | Confident | 91.9 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -129.7 | 16 | 176.7 | -63.6 | -178.6 | 178.9 | -150.7 | 4.1 | 112 | W23 L288 P289 V293 | W23-R291 HydrophobicContact CZ2-CG 4.48Å; L288-R291 CarbonylContact O-C 3.58Å; L288-R291 PolarHBondContact O-N 2.9Å; P289-R291 PolarHBondContact O-N 2.87Å; P289-R291 VanDerWaalsContact O-N 3.11Å; R291-V293 PolarHBondContact O-N 3.31Å; R291-V293 VanDerWaalsContact O-N 3.11Å |
| 292 | H | 82.6 | Confident | 91.9 | Very high | 181 Ų | 181 | 42.7 Ų | 42.7 | 84% | 0.838 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 26.6 | 176.5 | -57 | -71.3 | 0 | 0 | 0 | 116.5 | L288 P289 | L288-H292 PolarHBondContact O-N 2.69Å; L288-H292 VanDerWaalsContact O-N 3.15Å; P289-H292 PolarHBondContact O-N 3.01Å; P289-H292 VanDerWaalsContact O-N 3.1Å |
| 293 | V | 83.1 | Confident | 91.8 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.3 | -176.3 | 164.9 | 0 | 0 | 0 | 0 | 113.4 | S287 L288 R291 F295 W322 | S287-V293 WeakPolarHBondContact CA-O 3.49Å; S287-V293 WeakPolarHBondContact CB-O 3.19Å; L288-V293 PolarHBondContact N-O 2.91Å; L288-V293 PolarHBondContact O-N 3Å; R291-V293 PolarHBondContact O-N 3.31Å; R291-V293 VanDerWaalsContact O-N 3.11Å; V293-F295 HydrophobicContact CG1-CE1 4.23Å; V293-F295 HydrophobicContact CG1-CE2 3.99Å; V293-F295 HydrophobicContact CG1-CZ 3.72Å; V293-W322 HydrophobicContact CB-CE3 4.43Å; V293-W322 HydrophobicContact CB-CZ3 3.81Å; V293-W322 HydrophobicContact CG1-CE3 4.21Å; V293-W322 HydrophobicContact CG1-CZ3 4.03Å; V293-W322 HydrophobicContact CG2-CE3 3.82Å; V293-W322 HydrophobicContact CG2-CH2 3.8Å; V293-W322 HydrophobicContact CG2-CZ3 3.26Å |
| 294 | S | 88.4 | Confident | 91.8 | Very high | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.9 | 178 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | C286 N296 | C286-S294 CarbonylContact O-C 3.53Å; C286-S294 WeakPolarHBondContact O-CA 3.4Å; S294-N296 PolarHBondContact OG-ND2 3.31Å |
| 295 | F | 92.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 102 | 179.6 | -52.9 | -92.1 | 0 | 0 | 0 | 107.6 | C286 V293 F318 A320 V327 A329 P409 L412 | C286-F295 HydrophobicContact CB-CB 4.17Å; C286-F295 PolarHBondContact O-N 3.07Å; V293-F295 HydrophobicContact CG1-CE1 4.23Å; V293-F295 HydrophobicContact CG1-CE2 3.99Å; V293-F295 HydrophobicContact CG1-CZ 3.72Å; F295-F318 HydrophobicContact CB-CB 3.48Å; F295-F318 VanDerWaalsContact CB-CB 3.48Å; F295-F318 HydrophobicContact CB-CG 4.3Å; F295-F318 WeakPolarHBondContact O-CD1 3.28Å; F295-A320 HydrophobicContact CB-CB 4.48Å; F295-A320 HydrophobicContact CD1-CB 3.46Å; F295-A320 VanDerWaalsContact CD1-CB 3.46Å; F295-A320 HydrophobicContact CE1-CB 3.96Å; F295-A320 HydrophobicContact CG-CB 4.27Å; F295-V327 HydrophobicContact CE1-CB 4.28Å; F295-V327 HydrophobicContact CE1-CG1 3.94Å; F295-A329 HydrophobicContact CB-CB 4.32Å; F295-A329 HydrophobicContact CD1-CB 3.71Å; F295-A329 HydrophobicContact CD2-CB 3.83Å; F295-A329 HydrophobicContact CE1-CB 3.98Å; F295-A329 HydrophobicContact CE2-CB 4.1Å; F295-A329 HydrophobicContact CG-CB 3.66Å; F295-A329 HydrophobicContact CZ-CB 4.19Å; F295-P409 HydrophobicContact CD2-CG 4.14Å; F295-P409 HydrophobicContact CE2-CG 3.87Å; F295-L412 HydrophobicContact CE1-CD1 3.59Å; F295-L412 HydrophobicContact CE2-CD1 4.14Å; F295-L412 HydrophobicContact CZ-CD1 3.31Å |
| 296 | N | 90.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | trans | -100.2 | -16.8 | -165.8 | -66.9 | -59.8 | 0 | 0 | 0 | 114.3 | T254 V255 A256 R283 S294 | T254-N296 VanDerWaalsContact O-CB 3.26Å; T254-N296 WeakPolarHBondContact O-CB 3.39Å; V255-N296 CarbonylContact C-O 3.57Å; A256-N296 PolarHBondContact N-O 3.25Å; R283-N296 PolarHBondContact NH2-OD1 3.38Å; S294-N296 PolarHBondContact OG-ND2 3.31Å | ||
| 297 | N | 95 | Very high | 91.2 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 100.4 | -179.1 | -53.9 | -76.6 | 0 | 0 | 0 | 110 | F318 H319 | N297-F318 CarbonylContact O-C 3.51Å; N297-F318 VanDerWaalsContact O-CA 3.23Å; N297-F318 WeakPolarHBondContact O-CA 3.19Å; N297-H319 HydrophobicContact CB-CB 4.36Å; N297-H319 PolarHBondContact N-O 2.79Å; N297-H319 PolarHBondContact ND2-O 2.86Å; N297-H319 VanDerWaalsContact ND2-O 3.16Å; N297-H319 PolarHBondContact O-N 3.38Å |
| 298 | L | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139.5 | 174 | -172.8 | 72.3 | 0 | 0 | 0 | 110.4 | V217 F239 S241 A256 L284 V301 F318 | V217-L298 HydrophobicContact CB-CD2 4.24Å; V217-L298 HydrophobicContact CB-CG 4.45Å; V217-L298 HydrophobicContact CG1-CD2 4.3Å; V217-L298 HydrophobicContact CG1-CG 4.16Å; V217-L298 HydrophobicContact CG2-CB 4.45Å; V217-L298 HydrophobicContact CG2-CD2 4.35Å; V217-L298 HydrophobicContact CG2-CG 4.28Å; V217-L298 WeakPolarHBondContact CG2-O 3.46Å; F239-L298 HydrophobicContact CB-CD2 3.88Å; S241-L298 PolarHBondContact OG-N 2.68Å; S241-L298 PolarHBondContact OG-O 3.09Å; A256-L298 HydrophobicContact CB-CB 3.81Å; L284-L298 HydrophobicContact CD2-CD2 4.41Å; L298-V301 HydrophobicContact CD1-CG2 3.91Å; L298-V301 HydrophobicContact CD2-CG2 3.74Å; L298-V301 HydrophobicContact CG-CG2 4.12Å; L298-F318 HydrophobicContact CB-CD1 4.27Å; L298-F318 HydrophobicContact CB-CE1 4.26Å; L298-F318 HydrophobicContact CD1-CD1 3.96Å; L298-F318 HydrophobicContact CD1-CD2 4.21Å; L298-F318 HydrophobicContact CD1-CE1 3.57Å; L298-F318 HydrophobicContact CD1-CE2 3.81Å; L298-F318 HydrophobicContact CD1-CG 4.27Å; L298-F318 HydrophobicContact CD1-CZ 3.48Å; L298-F318 VanDerWaalsContact CD1-CZ 3.48Å; L298-F318 HydrophobicContact CG-CE1 4.48Å |
| 299 | R | 96.6 | Very high | 91.5 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -28.3 | -173.6 | -63.3 | -59.9 | -160.6 | -165.6 | 2.8 | 115.9 | D215 V217 I317 H319 | D215-R299 IonicContact OD2-NH1 2.79Å; V217-R299 VanDerWaalsContact CG1-C 3.45Å; R299-I317 HydrophobicContact CB-CG2 4.13Å; R299-I317 PolarHBondContact N-O 3.47Å; R299-H319 HydrophobicContact CG-CB 4.45Å; R299-H319 PolarHBondContact NE-ND1 3.45Å |
| 300 | A | 97.7 | Very high | 92 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G316 I317 | A300-G316 WeakPolarHBondContact O-CA 3.44Å; A300-I317 HydrophobicContact CB-CB 4.28Å; A300-I317 HydrophobicContact CB-CD1 4.06Å; A300-I317 HydrophobicContact CB-CG1 4.48Å; A300-I317 PolarHBondContact O-N 3.38Å |
| 301 | V | 98.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.4 | 170 | 174 | 0 | 0 | 0 | 0 | 109.4 | V217 F239 L298 Y315 | V217-V301 HydrophobicContact CG1-CG2 4.26Å; F239-V301 HydrophobicContact CB-CB 4.44Å; F239-V301 HydrophobicContact CB-CG2 3.77Å; F239-V301 HydrophobicContact CD1-CG1 4.43Å; F239-V301 HydrophobicContact CD1-CG2 4.17Å; F239-V301 HydrophobicContact CD2-CB 4.5Å; F239-V301 HydrophobicContact CD2-CG1 4.02Å; F239-V301 HydrophobicContact CE2-CG1 4.18Å; F239-V301 HydrophobicContact CG-CB 4.37Å; F239-V301 HydrophobicContact CG-CG1 4.16Å; F239-V301 HydrophobicContact CG-CG2 3.92Å; F239-V301 HydrophobicContact CZ-CG1 4.46Å; L298-V301 HydrophobicContact CD1-CG2 3.91Å; L298-V301 HydrophobicContact CD2-CG2 3.74Å; L298-V301 HydrophobicContact CG-CG2 4.12Å; V301-Y315 CarbonylContact C-O 3.59Å; V301-Y315 VanDerWaalsContact CA-O 3.26Å; V301-Y315 WeakPolarHBondContact CA-O 3.44Å |
| 302 | F | 98.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 18% | 0.18 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.3 | 167.6 | -171.6 | -91 | 0 | 0 | 0 | 109.3 | L304 Y315 L421 A422 V423 I476 | F302-L304 HydrophobicContact CD1-CB 4.38Å; F302-L304 HydrophobicContact CE1-CB 4.28Å; F302-L304 HydrophobicContact CE1-CD1 4.29Å; F302-Y315 PolarHBondContact N-O 2.92Å; F302-Y315 PolarHBondContact O-N 3.35Å; F302-L421 HydrophobicContact CB-CB 4.44Å; F302-L421 HydrophobicContact CB-CD2 3.99Å; F302-L421 HydrophobicContact CB-CG 4.05Å; F302-L421 WeakPolarHBondContact CD2-O 3.48Å; F302-A422 HydrophobicContact CD2-CB 4.4Å; F302-A422 HydrophobicContact CE2-CB 4.18Å; F302-V423 HydrophobicContact CB-CG2 4.37Å; F302-V423 HydrophobicContact CD1-CB 3.65Å; F302-V423 HydrophobicContact CD1-CG2 3.67Å; F302-V423 HydrophobicContact CE1-CB 3.7Å; F302-V423 HydrophobicContact CE1-CG2 4.24Å; F302-V423 VanDerWaalsContact CE1-O 3.3Å; F302-V423 WeakPolarHBondContact CE1-O 3.26Å; F302-V423 HydrophobicContact CG-CB 4.49Å; F302-V423 HydrophobicContact CG-CG2 4.16Å; F302-V423 WeakPolarHBondContact CZ-O 3.23Å; F302-I476 HydrophobicContact CE2-CG2 4.2Å; F302-I476 HydrophobicContact CZ-CG2 4.15Å |
| 303 | T | 97.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.4 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 109 | A220 P305 T312 F314 | A220-T303 HydrophobicContact CB-CG2 4.17Å; A220-T303 WeakPolarHBondContact CB-OG1 3.36Å; T303-P305 WeakPolarHBondContact O-CD 3.45Å; T303-T312 HydrophobicContact CG2-CG2 3.6Å; T303-F314 HydrophobicContact CG2-CD1 3.86Å; T303-F314 HydrophobicContact CG2-CE1 3.71Å; T303-F314 WeakPolarHBondContact OG1-CD1 3.46Å |
| 304 | L | 96.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 106.7 | 175.6 | -177 | 68.1 | 0 | 0 | 0 | 108.7 | F302 T312 T313 Y315 V423 R425 | F302-L304 HydrophobicContact CD1-CB 4.38Å; F302-L304 HydrophobicContact CE1-CB 4.28Å; F302-L304 HydrophobicContact CE1-CD1 4.29Å; L304-T312 WeakPolarHBondContact O-CA 3.35Å; L304-T313 PolarHBondContact N-O 3.38Å; L304-T313 PolarHBondContact O-N 2.86Å; L304-Y315 HydrophobicContact CB-CD2 4.35Å; L304-Y315 HydrophobicContact CB-CE2 4.18Å; L304-Y315 HydrophobicContact CD2-CE2 3.96Å; L304-V423 HydrophobicContact CD1-CG1 4.4Å; L304-V423 HydrophobicContact CD2-CG1 3.99Å; L304-R425 HydrophobicContact CD1-CB 4.42Å |
| 305 | P | 93.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | trans | -65.2 | 152.9 | -179.9 | 27.1 | -34.8 | 0 | 0 | 0 | 111.9 | T303 R425 | T303-P305 WeakPolarHBondContact O-CD 3.45Å; P305-R425 PolarHBondContact O-NH1 2.8Å; P305-R425 PolarHBondContact O-NH2 3.49Å | ||
| 306 | G | 91.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | trans | -85.5 | -180 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D308 G311 | G306-D308 CarbonylContact C-O 3.47Å; G306-D308 VanDerWaalsContact C-O 3.28Å; G306-D308 VanDerWaalsContact CA-O 3.23Å; G306-D308 WeakPolarHBondContact CA-O 3.38Å; G306-G311 VanDerWaalsContact CA-O 3.28Å; G306-G311 WeakPolarHBondContact CA-O 3.45Å; G306-G311 PolarHBondContact N-O 3.03Å | ||
| 307 | P | 89.7 | Confident | 96.1 | Very high | 139 Ų | 139 | 37.6 Ų | 37.6 | 90% | 0.903 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -62.7 | -31.8 | 162.9 | -18.7 | 32.6 | 0 | 0 | 0 | 111.9 | ||
| 308 | D | 92.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 34% | 0.342 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -119.2 | 178.2 | 162.4 | 85 | -27.4 | 0 | 0 | 0 | 109.9 | G306 R310 G311 | G306-D308 CarbonylContact C-O 3.47Å; G306-D308 VanDerWaalsContact C-O 3.28Å; G306-D308 VanDerWaalsContact CA-O 3.23Å; G306-D308 WeakPolarHBondContact CA-O 3.38Å; D308-R310 VanDerWaalsContact C-N 3.27Å; D308-R310 PolarHBondContact O-N 2.83Å; D308-R310 WeakPolarHBondContact OD1-CA 3.37Å; D308-R310 WeakPolarHBondContact OD1-CB 3.33Å; D308-R310 PolarHBondContact OD1-N 3.42Å; D308-R310 WeakPolarHBondContact OD2-CB 3.48Å; D308-R310 WeakPolarHBondContact OD2-CD 3.37Å; D308-R310 VanDerWaalsContact OD2-CG 3.22Å; D308-R310 WeakPolarHBondContact OD2-CG 3.38Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.9Å; D308-R310 IonicContact OD2-NH1 2.6Å; D308-R310 PolarHBondContact OD2-NH1 2.73Å; D308-G311 PolarHBondContact O-N 2.76Å; D308-G311 PolarHBondContact OD1-N 3.35Å |
| 309 | W | 93.6 | Very high | 96 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 15% | 0.148 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -65.9 | -29.6 | 177.7 | 70.6 | -104.4 | 0 | 0 | 0 | 112.6 | V222 E224 S226 G311 T312 I335 K339 | V222-W309 HydrophobicContact CG1-CB 4.26Å; V222-W309 HydrophobicContact CG1-CE3 4.27Å; E224-W309 HydrophobicContact CB-CD2 4.38Å; E224-W309 HydrophobicContact CB-CH2 4.46Å; E224-W309 HydrophobicContact CB-CZ2 4.26Å; E224-W309 HydrophobicContact CG-CD2 4.12Å; E224-W309 HydrophobicContact CG-CE3 3.86Å; E224-W309 HydrophobicContact CG-CH2 4.22Å; E224-W309 HydrophobicContact CG-CZ2 4.44Å; E224-W309 HydrophobicContact CG-CZ3 3.92Å; E224-W309 PolarHBondContact O-NE1 3.06Å; S226-W309 PolarHBondContact O-NE1 3.13Å; W309-G311 VanDerWaalsContact C-N 3.28Å; W309-G311 PolarHBondContact O-N 3.07Å; W309-T312 WeakPolarHBondContact O-CB 3.35Å; W309-T312 PolarHBondContact O-N 2.69Å; W309-T312 VanDerWaalsContact O-N 3.09Å; W309-T312 PolarHBondContact O-OG1 3.32Å; W309-I335 HydrophobicContact CE3-CG1 4.33Å; W309-I335 HydrophobicContact CE3-CG2 4.39Å; W309-I335 HydrophobicContact CZ3-CG1 4.29Å; W309-I335 WeakPolarHBondContact O-CG2 3.38Å; W309-K339 HydrophobicContact CH2-CD 4.02Å; W309-K339 HydrophobicContact CZ3-CD 4.24Å |
| 310 | R | 95.1 | Very high | 95.6 | Very high | 130 Ų | 130 | 32.5 Ų | 32.5 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -68 | -28.4 | -177.1 | -56.7 | 175.3 | -176.2 | 83.8 | 0.3 | 112.3 | G227 D308 T312 I335 | G227-R310 PolarHBondContact O-NH2 3.3Å; D308-R310 VanDerWaalsContact C-N 3.27Å; D308-R310 PolarHBondContact O-N 2.83Å; D308-R310 WeakPolarHBondContact OD1-CA 3.37Å; D308-R310 WeakPolarHBondContact OD1-CB 3.33Å; D308-R310 PolarHBondContact OD1-N 3.42Å; D308-R310 WeakPolarHBondContact OD2-CB 3.48Å; D308-R310 WeakPolarHBondContact OD2-CD 3.37Å; D308-R310 VanDerWaalsContact OD2-CG 3.22Å; D308-R310 WeakPolarHBondContact OD2-CG 3.38Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.9Å; D308-R310 IonicContact OD2-NH1 2.6Å; D308-R310 PolarHBondContact OD2-NH1 2.73Å; R310-T312 PolarHBondContact O-N 3.41Å; R310-I335 WeakPolarHBondContact O-CG2 3.5Å |
| 311 | G | 94.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -78.1 | 11.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.7 | G306 D308 W309 | G306-G311 VanDerWaalsContact CA-O 3.28Å; G306-G311 WeakPolarHBondContact CA-O 3.45Å; G306-G311 PolarHBondContact N-O 3.03Å; D308-G311 PolarHBondContact O-N 2.76Å; D308-G311 PolarHBondContact OD1-N 3.35Å; W309-G311 VanDerWaalsContact C-N 3.28Å; W309-G311 PolarHBondContact O-N 3.07Å |
| 312 | T | 97.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | trans | -75.1 | 126.1 | 179.2 | -57 | 0 | 0 | 0 | 0 | 111.5 | T303 L304 W309 R310 F314 Q334 I335 | T303-T312 HydrophobicContact CG2-CG2 3.6Å; L304-T312 WeakPolarHBondContact O-CA 3.35Å; W309-T312 WeakPolarHBondContact O-CB 3.35Å; W309-T312 PolarHBondContact O-N 2.69Å; W309-T312 VanDerWaalsContact O-N 3.09Å; W309-T312 PolarHBondContact O-OG1 3.32Å; R310-T312 PolarHBondContact O-N 3.41Å; T312-F314 HydrophobicContact CG2-CE1 4.31Å; T312-Q334 PolarHBondContact O-OE1 3.17Å; T312-I335 WeakPolarHBondContact O-CG2 3.3Å; T312-I335 PolarHBondContact O-N 2.89Å | ||
| 313 | T | 97.4 | Very high | 93 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.1 | 177.3 | -46.1 | 0 | 0 | 0 | 0 | 110.4 | L304 Y315 Q332 Y333 Q334 | L304-T313 PolarHBondContact N-O 3.38Å; L304-T313 PolarHBondContact O-N 2.86Å; T313-Y315 HydrophobicContact CG2-CD2 4.14Å; T313-Y315 HydrophobicContact CG2-CE2 3.59Å; T313-Q332 HydrophobicContact CG2-CB 4.03Å; T313-Y333 WeakPolarHBondContact CA-O 3.37Å; T313-Q334 VanDerWaalsContact OG1-CD 3.29Å; T313-Q334 PolarHBondContact OG1-NE2 3.01Å; T313-Q334 VanDerWaalsContact OG1-NE2 3.07Å; T313-Q334 PolarHBondContact OG1-OE1 2.97Å |
| 314 | F | 98.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.6 | 168.6 | -52.8 | -66.6 | 0 | 0 | 0 | 109.6 | A220 V222 Y237 F239 T303 T312 Q332 Y333 I335 V338 | A220-F314 HydrophobicContact CB-CE1 4.25Å; V222-F314 HydrophobicContact CG2-CE1 4.44Å; V222-F314 HydrophobicContact CG2-CZ 3.95Å; Y237-F314 HydrophobicContact CD1-CZ 4.48Å; Y237-F314 HydrophobicContact CG-CZ 4.32Å; F239-F314 HydrophobicContact CE1-CB 4.5Å; F239-F314 HydrophobicContact CE1-CD1 4.43Å; F239-F314 HydrophobicContact CE1-CD2 4.4Å; F239-F314 HydrophobicContact CE1-CG 4.2Å; F239-F314 HydrophobicContact CE2-CD1 4.06Å; F239-F314 HydrophobicContact CE2-CE1 4.05Å; F239-F314 HydrophobicContact CZ-CB 4.37Å; F239-F314 AromaticContact CZ-CD1 3.53Å; F239-F314 HydrophobicContact CZ-CD1 3.53Å; F239-F314 AromaticContact CZ-CD2 4Å; F239-F314 HydrophobicContact CZ-CD2 4Å; F239-F314 AromaticContact CZ-CE1 3.66Å; F239-F314 HydrophobicContact CZ-CE1 3.66Å; F239-F314 HydrophobicContact CZ-CE2 4.1Å; F239-F314 AromaticContact CZ-CG 3.7Å; F239-F314 HydrophobicContact CZ-CG 3.7Å; F239-F314 AromaticContact CZ-CZ 3.93Å; F239-F314 HydrophobicContact CZ-CZ 3.93Å; T303-F314 HydrophobicContact CG2-CD1 3.86Å; T303-F314 HydrophobicContact CG2-CE1 3.71Å; T303-F314 WeakPolarHBondContact OG1-CD1 3.46Å; T312-F314 HydrophobicContact CG2-CE1 4.31Å; F314-Q332 CarbonylContact O-C 3.59Å; F314-Q332 WeakPolarHBondContact O-CA 3.29Å; F314-Y333 PolarHBondContact N-O 2.86Å; F314-Y333 PolarHBondContact O-N 2.76Å; F314-I335 HydrophobicContact CE2-CB 4.4Å; F314-I335 HydrophobicContact CE2-CD1 3.79Å; F314-I335 HydrophobicContact CZ-CD1 3.99Å; F314-V338 HydrophobicContact CD2-CG2 4.32Å; F314-V338 HydrophobicContact CE2-CG2 4.43Å |
| 315 | Y | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.3 | 169.3 | -71 | -93.1 | 0 | 0 | 0 | 109.6 | V301 F302 L304 T313 C331 Q332 L410 L421 V423 N435 L437 | V301-Y315 CarbonylContact C-O 3.59Å; V301-Y315 VanDerWaalsContact CA-O 3.26Å; V301-Y315 WeakPolarHBondContact CA-O 3.44Å; F302-Y315 PolarHBondContact N-O 2.92Å; F302-Y315 PolarHBondContact O-N 3.35Å; L304-Y315 HydrophobicContact CB-CD2 4.35Å; L304-Y315 HydrophobicContact CB-CE2 4.18Å; L304-Y315 HydrophobicContact CD2-CE2 3.96Å; T313-Y315 HydrophobicContact CG2-CD2 4.14Å; T313-Y315 HydrophobicContact CG2-CE2 3.59Å; Y315-C331 WeakPolarHBondContact CA-O 3.26Å; Y315-Q332 HydrophobicContact CD1-CB 3.72Å; Y315-Q332 HydrophobicContact CE1-CB 3.47Å; Y315-Q332 VanDerWaalsContact CE1-CB 3.47Å; Y315-Q332 HydrophobicContact CE1-CG 4.41Å; Y315-Q332 VanDerWaalsContact CE1-OE1 3.31Å; Y315-Q332 HydrophobicContact CG-CB 4.4Å; Y315-Q332 VanDerWaalsContact CZ-OE1 3.3Å; Y315-Q332 PolarHBondContact OH-OE1 2.82Å; Y315-L410 HydrophobicContact CD1-CD1 4.31Å; Y315-L410 HydrophobicContact CE1-CD1 3.74Å; Y315-L421 VanDerWaalsContact CB-CD2 3.43Å; Y315-L421 HydrophobicContact CG-CD2 4.44Å; Y315-V423 HydrophobicContact CD2-CG2 4Å; Y315-V423 HydrophobicContact CE2-CG1 4.34Å; Y315-V423 HydrophobicContact CG-CG2 4.14Å; Y315-N435 PolarHBondContact OH-ND2 3.07Å; Y315-L437 HydrophobicContact CE1-CD1 4.45Å |
| 316 | G | 98.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A300 F318 V330 C331 | A300-G316 WeakPolarHBondContact O-CA 3.44Å; G316-F318 VanDerWaalsContact O-CD2 3.27Å; G316-F318 WeakPolarHBondContact O-CD2 3.41Å; G316-F318 WeakPolarHBondContact O-CE2 3.44Å; G316-V330 WeakPolarHBondContact O-CA 3.41Å; G316-C331 PolarHBondContact N-O 2.79Å; G316-C331 PolarHBondContact O-N 3.16Å |
| 317 | I | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.6 | 164.1 | -69.1 | 169.2 | 0 | 0 | 0 | 108.3 | R299 A300 V330 F418 K420 L421 I439 | R299-I317 HydrophobicContact CB-CG2 4.13Å; R299-I317 PolarHBondContact N-O 3.47Å; A300-I317 HydrophobicContact CB-CB 4.28Å; A300-I317 HydrophobicContact CB-CD1 4.06Å; A300-I317 HydrophobicContact CB-CG1 4.48Å; A300-I317 PolarHBondContact O-N 3.38Å; I317-V330 HydrophobicContact CG1-CG2 4.25Å; I317-F418 HydrophobicContact CD1-CB 3.94Å; I317-F418 HydrophobicContact CG1-CB 4.36Å; I317-F418 HydrophobicContact CG2-CB 3.68Å; I317-K420 WeakPolarHBondContact CD1-O 2.97Å; I317-L421 HydrophobicContact CD1-CB 3.76Å; I317-L421 HydrophobicContact CG1-CB 4.26Å; I317-I439 HydrophobicContact CD1-CG2 4.25Å |
| 318 | F | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.6 | 177.7 | -58 | -106.4 | 0 | 0 | 0 | 111.2 | A256 L284 C286 F295 N297 L298 G316 S328 A329 C331 Y333 | A256-F318 HydrophobicContact CB-CD1 4.18Å; A256-F318 HydrophobicContact CB-CE1 3.68Å; L284-F318 HydrophobicContact CD2-CE1 4.43Å; L284-F318 HydrophobicContact CD2-CZ 3.97Å; L284-F318 HydrophobicContact CG-CZ 4.2Å; C286-F318 HydrophobicContact CB-CB 4.41Å; C286-F318 HydrophobicContact CB-CD1 3.85Å; C286-F318 HydrophobicContact CB-CD2 3.66Å; C286-F318 HydrophobicContact CB-CE1 3.91Å; C286-F318 HydrophobicContact CB-CE2 3.77Å; C286-F318 HydrophobicContact CB-CG 3.73Å; C286-F318 HydrophobicContact CB-CZ 3.88Å; F295-F318 HydrophobicContact CB-CB 3.48Å; F295-F318 VanDerWaalsContact CB-CB 3.48Å; F295-F318 HydrophobicContact CB-CG 4.3Å; F295-F318 WeakPolarHBondContact O-CD1 3.28Å; N297-F318 CarbonylContact O-C 3.51Å; N297-F318 VanDerWaalsContact O-CA 3.23Å; N297-F318 WeakPolarHBondContact O-CA 3.19Å; L298-F318 HydrophobicContact CB-CD1 4.27Å; L298-F318 HydrophobicContact CB-CE1 4.26Å; L298-F318 HydrophobicContact CD1-CD1 3.96Å; L298-F318 HydrophobicContact CD1-CD2 4.21Å; L298-F318 HydrophobicContact CD1-CE1 3.57Å; L298-F318 HydrophobicContact CD1-CE2 3.81Å; L298-F318 HydrophobicContact CD1-CG 4.27Å; L298-F318 HydrophobicContact CD1-CZ 3.48Å; L298-F318 VanDerWaalsContact CD1-CZ 3.48Å; L298-F318 HydrophobicContact CG-CE1 4.48Å; G316-F318 VanDerWaalsContact O-CD2 3.27Å; G316-F318 WeakPolarHBondContact O-CD2 3.41Å; G316-F318 WeakPolarHBondContact O-CE2 3.44Å; F318-S328 WeakPolarHBondContact O-CA 3.31Å; F318-A329 PolarHBondContact N-O 2.82Å; F318-A329 PolarHBondContact O-N 2.63Å; F318-C331 HydrophobicContact CD2-CB 4.27Å; F318-C331 HydrophobicContact CE2-CB 3.81Å; F318-Y333 AromaticContact CE2-CE2 3.93Å; F318-Y333 HydrophobicContact CE2-CE2 3.93Å; F318-Y333 AromaticContact CZ-CE2 3.77Å; F318-Y333 HydrophobicContact CZ-CE2 3.77Å; F318-Y333 AromaticContact CZ-CZ 3.88Å; F318-Y333 VanDerWaalsContact CZ-OH 3.23Å; F318-Y333 WeakPolarHBondContact CZ-OH 3.28Å |
| 319 | H | 93.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.1 | 172.1 | -66.3 | 170.9 | 0 | 0 | 0 | 111.5 | N297 R299 V327 S328 F418 | N297-H319 HydrophobicContact CB-CB 4.36Å; N297-H319 PolarHBondContact N-O 2.79Å; N297-H319 PolarHBondContact ND2-O 2.86Å; N297-H319 VanDerWaalsContact ND2-O 3.16Å; N297-H319 PolarHBondContact O-N 3.38Å; R299-H319 HydrophobicContact CG-CB 4.45Å; R299-H319 PolarHBondContact NE-ND1 3.45Å; H319-V327 WeakPolarHBondContact CA-O 3.34Å; H319-S328 PolarHBondContact CD2-OG 2.93Å; H319-F418 PolarHBondContact CE1-O 2.93Å; H319-F418 PolarHBondContact NE2-O 3.4Å |
| 320 | A | 89.1 | Confident | 91.9 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 167.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F295 V327 | F295-A320 HydrophobicContact CB-CB 4.48Å; F295-A320 HydrophobicContact CD1-CB 3.46Å; F295-A320 VanDerWaalsContact CD1-CB 3.46Å; F295-A320 HydrophobicContact CE1-CB 3.96Å; F295-A320 HydrophobicContact CG-CB 4.27Å; A320-V327 PolarHBondContact N-O 2.88Å; A320-V327 PolarHBondContact O-N 2.73Å |
| 321 | Q | 82.8 | Confident | 92 | Very high | 149 Ų | 149 | 33.6 Ų | 33.6 | 70% | 0.696 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.9 | 169 | -60.9 | -167.7 | -54.3 | 0 | 0 | 109.3 | D326 | Q321-D326 WeakPolarHBondContact CG-OD1 3.25Å; Q321-D326 PolarHBondContact NE2-OD1 2.83Å |
| 322 | W | 76.4 | Confident | 92 | Very high | 105 Ų | 105 | 35 Ų | 35 | 40% | 0.398 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 92.7 | 177.4 | -172.7 | -59.1 | 0 | 0 | 0 | 108.2 | W23 V293 D324 V325 V327 | W23-W322 HydrophobicContact CH2-CE3 4.16Å; W23-W322 AromaticContact CH2-CH2 3.59Å; W23-W322 HydrophobicContact CH2-CH2 3.59Å; W23-W322 HydrophobicContact CH2-CZ2 4.48Å; W23-W322 AromaticContact CH2-CZ3 3.37Å; W23-W322 HydrophobicContact CH2-CZ3 3.37Å; W23-W322 HydrophobicContact CZ2-CZ3 4.47Å; W23-W322 HydrophobicContact CZ3-CE3 4.35Å; W23-W322 AromaticContact CZ3-CH2 3.99Å; W23-W322 HydrophobicContact CZ3-CH2 3.99Å; W23-W322 HydrophobicContact CZ3-CZ2 4.47Å; W23-W322 AromaticContact CZ3-CZ3 3.9Å; W23-W322 HydrophobicContact CZ3-CZ3 3.9Å; V293-W322 HydrophobicContact CB-CE3 4.43Å; V293-W322 HydrophobicContact CB-CZ3 3.81Å; V293-W322 HydrophobicContact CG1-CE3 4.21Å; V293-W322 HydrophobicContact CG1-CZ3 4.03Å; V293-W322 HydrophobicContact CG2-CE3 3.82Å; V293-W322 HydrophobicContact CG2-CH2 3.8Å; V293-W322 HydrophobicContact CG2-CZ3 3.26Å; W322-D324 PolarHBondContact O-N 3.42Å; W322-V325 PolarHBondContact N-O 3.5Å; W322-V325 PolarHBondContact O-N 3.16Å; W322-V327 HydrophobicContact CB-CG2 3.83Å |
| 323 | G | 79.6 | Confident | 92 | Very high | 63 Ų | 63 | 35 Ų | 35 | 65% | 0.649 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | -132.7 | -161 | 0 | 0 | 0 | 0 | 0 | 109.2 | V325 | G323-V325 PolarHBondContact O-N 2.83Š|
| 324 | D | 80.8 | Confident | 92 | Very high | 174 Ų | 174 | 38 Ų | 38 | 93% | 0.93 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 12.9 | -179 | -48.4 | -55.2 | 0 | 0 | 0 | 114.4 | W322 | W322-D324 PolarHBondContact O-N 3.42Š|
| 325 | V | 84.1 | Confident | 91.9 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 38% | 0.382 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.4 | -175.5 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | W322 G323 V327 K414 | W322-V325 PolarHBondContact N-O 3.5Å; W322-V325 PolarHBondContact O-N 3.16Å; G323-V325 PolarHBondContact O-N 2.83Å; V325-V327 HydrophobicContact CG1-CG2 4.46Å; V325-K414 HydrophobicContact CG1-CB 4.09Å |
| 326 | D | 88.6 | Confident | 91.8 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.9 | 167.3 | -76.9 | -8.8 | 0 | 0 | 0 | 111 | Q321 G415 N417 | Q321-D326 WeakPolarHBondContact CG-OD1 3.25Å; Q321-D326 PolarHBondContact NE2-OD1 2.83Å; D326-G415 PolarHBondContact O-N 2.91Å; D326-N417 WeakPolarHBondContact CB-OD1 3.08Å; D326-N417 PolarHBondContact OD2-ND2 2.85Å |
| 327 | V | 92 | Very high | 91.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.8 | -179.7 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | F295 H319 A320 W322 V325 L412 T413 K414 | F295-V327 HydrophobicContact CE1-CB 4.28Å; F295-V327 HydrophobicContact CE1-CG1 3.94Å; H319-V327 WeakPolarHBondContact CA-O 3.34Å; A320-V327 PolarHBondContact N-O 2.88Å; A320-V327 PolarHBondContact O-N 2.73Å; W322-V327 HydrophobicContact CB-CG2 3.83Å; V325-V327 HydrophobicContact CG1-CG2 4.46Å; V327-L412 HydrophobicContact CG1-CD1 3.51Å; V327-L412 HydrophobicContact CG1-CG 4.07Å; V327-T413 WeakPolarHBondContact CA-O 3.43Å; V327-T413 WeakPolarHBondContact CG1-O 3.49Å; V327-K414 HydrophobicContact CG1-CG 4.44Å; V327-K414 HydrophobicContact CG2-CG 4.27Å |
| 328 | S | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.2 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | F318 H319 L412 T413 V416 N417 F418 | F318-S328 WeakPolarHBondContact O-CA 3.31Å; H319-S328 PolarHBondContact CD2-OG 2.93Å; S328-L412 WeakPolarHBondContact O-CA 3.39Å; S328-T413 PolarHBondContact N-O 3.49Å; S328-T413 PolarHBondContact O-N 3.3Å; S328-V416 WeakPolarHBondContact CB-O 3.33Å; S328-V416 PolarHBondContact OG-O 2.98Å; S328-N417 WeakPolarHBondContact OG-CA 3.46Å; S328-F418 PolarHBondContact OG-N 3.42Å |
| 329 | A | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | F295 F318 P409 L411 L412 | F295-A329 HydrophobicContact CB-CB 4.32Å; F295-A329 HydrophobicContact CD1-CB 3.71Å; F295-A329 HydrophobicContact CD2-CB 3.83Å; F295-A329 HydrophobicContact CE1-CB 3.98Å; F295-A329 HydrophobicContact CE2-CB 4.1Å; F295-A329 HydrophobicContact CG-CB 3.66Å; F295-A329 HydrophobicContact CZ-CB 4.19Å; F318-A329 PolarHBondContact N-O 2.82Å; F318-A329 PolarHBondContact O-N 2.63Å; A329-P409 HydrophobicContact CB-CB 4.27Å; A329-P409 HydrophobicContact CB-CG 4.26Å; A329-L411 WeakPolarHBondContact CA-O 3.24Å; A329-L412 HydrophobicContact CB-CD1 3.9Å |
| 330 | V | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.9 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | G316 I317 P409 L410 L411 F418 L421 L437 I439 | G316-V330 WeakPolarHBondContact O-CA 3.41Å; I317-V330 HydrophobicContact CG1-CG2 4.25Å; V330-P409 CarbonylContact O-C 3.58Å; V330-P409 WeakPolarHBondContact O-CA 3.28Å; V330-L410 PolarHBondContact O-N 2.88Å; V330-L411 HydrophobicContact CB-CB 4.25Å; V330-L411 HydrophobicContact CG2-CB 4.26Å; V330-L411 HydrophobicContact CG2-CD2 4.28Å; V330-L411 PolarHBondContact N-O 2.88Å; V330-F418 HydrophobicContact CG2-CD2 4.1Å; V330-F418 HydrophobicContact CG2-CE2 4.13Å; V330-L421 HydrophobicContact CG1-CD2 4.46Å; V330-L437 HydrophobicContact CG1-CD2 3.9Å; V330-I439 HydrophobicContact CG2-CD1 4.08Å |
| 331 | C | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 153 | 174.8 | -81.7 | 0 | 0 | 0 | 0 | 111.1 | C286 Y315 G316 F318 Y333 G407 | C286-C331 WeakPolarHBondContact CA-SG 3.48Å; C286-C331 HydrophobicContact CB-CB 3.79Å; C286-C331 WeakPolarHBondContact CB-SG 3.28Å; C286-C331 WeakPolarHBondContact SG-CB 3.36Å; C286-C331 CovalentContact SG-SG 2.04Å; C286-C331 PolarHBondContact SG-SG 3.31Å; Y315-C331 WeakPolarHBondContact CA-O 3.26Å; G316-C331 PolarHBondContact N-O 2.79Å; G316-C331 PolarHBondContact O-N 3.16Å; F318-C331 HydrophobicContact CD2-CB 4.27Å; F318-C331 HydrophobicContact CE2-CB 3.81Å; C331-Y333 HydrophobicContact CB-CE2 3.73Å; C331-G407 PolarHBondContact SG-O 2.89Å; C331-G407 VanDerWaalsContact SG-O 3.4Å |
| 332 | Q | 95.8 | Very high | 93 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.4 | 171.5 | 74.9 | 178.3 | 9.6 | 0 | 0 | 111.4 | T313 F314 Y315 L410 | T313-Q332 HydrophobicContact CG2-CB 4.03Å; F314-Q332 CarbonylContact O-C 3.59Å; F314-Q332 WeakPolarHBondContact O-CA 3.29Å; Y315-Q332 HydrophobicContact CD1-CB 3.72Å; Y315-Q332 HydrophobicContact CE1-CB 3.47Å; Y315-Q332 VanDerWaalsContact CE1-CB 3.47Å; Y315-Q332 HydrophobicContact CE1-CG 4.41Å; Y315-Q332 VanDerWaalsContact CE1-OE1 3.31Å; Y315-Q332 HydrophobicContact CG-CB 4.4Å; Y315-Q332 VanDerWaalsContact CZ-OE1 3.3Å; Y315-Q332 PolarHBondContact OH-OE1 2.82Å; Q332-L410 HydrophobicContact CB-CD1 4.01Å; Q332-L410 HydrophobicContact CG-CD1 3.97Å; Q332-L410 HydrophobicContact CG-CD2 4.41Å; Q332-L410 HydrophobicContact CG-CG 4.4Å |
| 333 | Y | 97.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.6 | -179.1 | -54 | -92.3 | 0 | 0 | 0 | 109.4 | L284 E285 C286 T313 F314 F318 C331 A405 G407 | L284-Y333 HydrophobicContact CD1-CD1 3.51Å; L284-Y333 HydrophobicContact CD1-CD2 3.82Å; L284-Y333 HydrophobicContact CD1-CE1 3.48Å; L284-Y333 VanDerWaalsContact CD1-CE1 3.48Å; L284-Y333 HydrophobicContact CD1-CE2 3.84Å; L284-Y333 HydrophobicContact CD1-CG 3.68Å; L284-Y333 HydrophobicContact CD2-CE2 4.18Å; L284-Y333 HydrophobicContact CG-CD1 4.44Å; L284-Y333 HydrophobicContact CG-CD2 4.37Å; L284-Y333 HydrophobicContact CG-CE1 3.96Å; L284-Y333 HydrophobicContact CG-CE2 3.93Å; E285-Y333 PolarHBondContact O-OH 3.44Å; C286-Y333 WeakPolarHBondContact CA-OH 3.35Å; C286-Y333 WeakPolarHBondContact CB-OH 3.3Å; C286-Y333 PolarHBondContact N-OH 2.9Å; T313-Y333 WeakPolarHBondContact CA-O 3.37Å; F314-Y333 PolarHBondContact N-O 2.86Å; F314-Y333 PolarHBondContact O-N 2.76Å; F318-Y333 AromaticContact CE2-CE2 3.93Å; F318-Y333 HydrophobicContact CE2-CE2 3.93Å; F318-Y333 AromaticContact CZ-CE2 3.77Å; F318-Y333 HydrophobicContact CZ-CE2 3.77Å; F318-Y333 AromaticContact CZ-CZ 3.88Å; F318-Y333 VanDerWaalsContact CZ-OH 3.23Å; F318-Y333 WeakPolarHBondContact CZ-OH 3.28Å; C331-Y333 HydrophobicContact CB-CE2 3.73Å; Y333-A405 HydrophobicContact CD1-CB 4.3Å; Y333-G407 VanDerWaalsContact CE1-N 3.28Å |
| 334 | Q | 96.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 140.4 | 173.4 | -61.7 | -59.3 | -13.7 | 0 | 0 | 110.5 | T312 T313 G336 D337 V338 | T312-Q334 PolarHBondContact O-OE1 3.17Å; T313-Q334 VanDerWaalsContact OG1-CD 3.29Å; T313-Q334 PolarHBondContact OG1-NE2 3.01Å; T313-Q334 VanDerWaalsContact OG1-NE2 3.07Å; T313-Q334 PolarHBondContact OG1-OE1 2.97Å; Q334-G336 PolarHBondContact O-N 2.84Å; Q334-G336 VanDerWaalsContact O-N 3.17Å; Q334-D337 PolarHBondContact O-N 3.04Å; Q334-V338 PolarHBondContact O-N 2.89Å |
| 335 | I | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.2 | -36 | 178 | -177.2 | 60.5 | 0 | 0 | 0 | 112.4 | V222 Y237 W309 R310 T312 F314 D337 V338 K339 | V222-I335 HydrophobicContact CG1-CD1 4.25Å; V222-I335 HydrophobicContact CG1-CG1 4.15Å; V222-I335 HydrophobicContact CG2-CD1 4.21Å; Y237-I335 HydrophobicContact CE1-CD1 4.31Å; Y237-I335 HydrophobicContact CE2-CD1 4.01Å; W309-I335 HydrophobicContact CE3-CG1 4.33Å; W309-I335 HydrophobicContact CE3-CG2 4.39Å; W309-I335 HydrophobicContact CZ3-CG1 4.29Å; W309-I335 WeakPolarHBondContact O-CG2 3.38Å; R310-I335 WeakPolarHBondContact O-CG2 3.5Å; T312-I335 WeakPolarHBondContact O-CG2 3.3Å; T312-I335 PolarHBondContact O-N 2.89Å; F314-I335 HydrophobicContact CE2-CB 4.4Å; F314-I335 HydrophobicContact CE2-CD1 3.79Å; F314-I335 HydrophobicContact CZ-CD1 3.99Å; I335-D337 VanDerWaalsContact C-N 3.3Å; I335-D337 PolarHBondContact O-N 3.04Å; I335-V338 PolarHBondContact O-N 2.95Å; I335-K339 WeakPolarHBondContact O-CB 3.49Å; I335-K339 PolarHBondContact O-N 2.8Å |
| 336 | G | 96.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 32% | 0.32 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q334 K340 | Q334-G336 PolarHBondContact O-N 2.84Å; Q334-G336 VanDerWaalsContact O-N 3.17Å; G336-K340 WeakPolarHBondContact O-CE 3.47Å; G336-K340 VanDerWaalsContact O-CG 3.26Å; G336-K340 WeakPolarHBondContact O-CG 3.24Å; G336-K340 PolarHBondContact O-N 2.72Å |
| 337 | D | 96.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 29 Ų | 29 | 42% | 0.422 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -81 | -33.9 | 177.7 | -61.4 | -48.5 | 0 | 0 | 0 | 111.8 | Q334 I335 K340 V341 | Q334-D337 PolarHBondContact O-N 3.04Å; I335-D337 VanDerWaalsContact C-N 3.3Å; I335-D337 PolarHBondContact O-N 3.04Å; D337-K340 IonicContact OD1-NZ 2.72Å; D337-K340 PolarHBondContact OD1-NZ 3.31Å; D337-V341 PolarHBondContact O-N 3.25Å |
| 338 | V | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 170.4 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Y237 V258 F314 Q334 I335 V341 F342 A405 | Y237-V338 HydrophobicContact CE1-CG1 3.78Å; V258-V338 HydrophobicContact CG1-CG1 4.2Å; V258-V338 HydrophobicContact CG2-CG1 4.21Å; F314-V338 HydrophobicContact CD2-CG2 4.32Å; F314-V338 HydrophobicContact CE2-CG2 4.43Å; Q334-V338 PolarHBondContact O-N 2.89Å; I335-V338 PolarHBondContact O-N 2.95Å; V338-V341 PolarHBondContact O-N 3.05Å; V338-F342 HydrophobicContact CG1-CD2 4.15Å; V338-F342 HydrophobicContact CG1-CE2 3.7Å; V338-F342 WeakPolarHBondContact O-CD2 3.35Å; V338-F342 PolarHBondContact O-N 2.91Å; V338-A405 HydrophobicContact CG2-CB 4.18Å |
| 339 | K | 96.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 36 Ų | 36 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 179.7 | -166 | 174.8 | -169.4 | -78.1 | 0 | 112 | E224 W309 I335 V341 F342 E343 | E224-K339 WeakPolarHBondContact OE2-CE 3.5Å; W309-K339 HydrophobicContact CH2-CD 4.02Å; W309-K339 HydrophobicContact CZ3-CD 4.24Å; I335-K339 WeakPolarHBondContact O-CB 3.49Å; I335-K339 PolarHBondContact O-N 2.8Å; K339-V341 PolarHBondContact O-N 2.96Å; K339-F342 PolarHBondContact O-N 3.32Å; K339-E343 WeakPolarHBondContact CG-OE1 3.21Å; K339-E343 IonicContact NZ-OE1 3.18Å; K339-E343 PolarHBondContact NZ-OE1 3.02Å; K339-E343 WeakPolarHBondContact O-CG 3.44Å; K339-E343 PolarHBondContact O-N 3Å; K339-E343 VanDerWaalsContact O-N 3.07Å |
| 340 | K | 97.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 40.1 Ų | 40.1 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53 | -38.7 | 174.9 | -70.6 | 165.4 | -157.6 | 167.9 | 0 | 112.9 | G336 D337 E343 G344 | G336-K340 WeakPolarHBondContact O-CE 3.47Å; G336-K340 VanDerWaalsContact O-CG 3.26Å; G336-K340 WeakPolarHBondContact O-CG 3.24Å; G336-K340 PolarHBondContact O-N 2.72Å; D337-K340 IonicContact OD1-NZ 2.72Å; D337-K340 PolarHBondContact OD1-NZ 3.31Å; K340-E343 CarbonylContact O-C 3.52Å; K340-E343 PolarHBondContact O-N 2.74Å; K340-G344 PolarHBondContact O-N 2.93Å |
| 341 | V | 98.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.8 | 173 | 0 | 0 | 0 | 0 | 111.7 | A282 D337 V338 K339 E343 G344 M401 D403 | A282-V341 HydrophobicContact CB-CG1 3.55Å; D337-V341 PolarHBondContact O-N 3.25Å; V338-V341 PolarHBondContact O-N 3.05Å; K339-V341 PolarHBondContact O-N 2.96Å; V341-E343 VanDerWaalsContact C-N 3.29Å; V341-E343 PolarHBondContact O-N 2.76Å; V341-G344 PolarHBondContact O-N 2.94Å; V341-M401 HydrophobicContact CG1-CB 4.07Å; V341-M401 HydrophobicContact CG1-CG 4.41Å; V341-M401 WeakPolarHBondContact O-CE 3.3Å; V341-D403 HydrophobicContact CG1-CB 4.25Å; V341-D403 WeakPolarHBondContact CG1-O 3.39Å |
| 342 | F | 98 | Very high | 95 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.6 | -20 | 174.7 | -68.2 | -67.8 | 0 | 0 | 0 | 113.7 | Y237 V258 R260 Q280 A282 V338 K339 R367 M401 | Y237-F342 AromaticContact CE1-CE2 3.96Å; Y237-F342 HydrophobicContact CE1-CE2 3.96Å; V258-F342 HydrophobicContact CG1-CE2 4.39Å; V258-F342 HydrophobicContact CG1-CZ 4.29Å; R260-F342 HydrophobicContact CG-CD1 4.31Å; R260-F342 HydrophobicContact CG-CD2 4.43Å; R260-F342 HydrophobicContact CG-CE1 4.15Å; R260-F342 HydrophobicContact CG-CE2 4.27Å; R260-F342 HydrophobicContact CG-CG 4.45Å; R260-F342 HydrophobicContact CG-CZ 4.12Å; R260-F342 VanDerWaalsContact CZ-CB 3.41Å; Q280-F342 HydrophobicContact CB-CD1 3.59Å; Q280-F342 HydrophobicContact CB-CE1 3.7Å; A282-F342 HydrophobicContact CB-CE1 4.09Å; A282-F342 HydrophobicContact CB-CZ 4.09Å; V338-F342 HydrophobicContact CG1-CD2 4.15Å; V338-F342 HydrophobicContact CG1-CE2 3.7Å; V338-F342 WeakPolarHBondContact O-CD2 3.35Å; V338-F342 PolarHBondContact O-N 2.91Å; K339-F342 PolarHBondContact O-N 3.32Å; F342-R367 PolarHBondContact O-NH2 2.97Å; F342-M401 HydrophobicContact CD1-CG 3.77Å; F342-M401 HydrophobicContact CD1-SD 4.25Å; F342-M401 HydrophobicContact CE1-CG 4.19Å |
| 343 | E | 95.7 | Very high | 94.5 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -83.7 | -15.4 | 169.8 | -68 | 162.7 | 169.8 | 0 | 0 | 112.4 | K339 K340 V341 R367 | K339-E343 WeakPolarHBondContact CG-OE1 3.21Å; K339-E343 IonicContact NZ-OE1 3.18Å; K339-E343 PolarHBondContact NZ-OE1 3.02Å; K339-E343 WeakPolarHBondContact O-CG 3.44Å; K339-E343 PolarHBondContact O-N 3Å; K339-E343 VanDerWaalsContact O-N 3.07Å; K340-E343 CarbonylContact O-C 3.52Å; K340-E343 PolarHBondContact O-N 2.74Å; V341-E343 VanDerWaalsContact C-N 3.29Å; V341-E343 PolarHBondContact O-N 2.76Å; E343-R367 VanDerWaalsContact O-CZ 3.23Å; E343-R367 PolarHBondContact O-NH1 3.3Å; E343-R367 PolarHBondContact O-NH2 2.9Å; E343-R367 VanDerWaalsContact O-NH2 3.09Å |
| 344 | G | 96.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.6 | -154.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K340 V341 R367 | K340-G344 PolarHBondContact O-N 2.93Å; V341-G344 PolarHBondContact O-N 2.94Å; G344-R367 PolarHBondContact O-NH2 2.82Å |
| 345 | S | 96.7 | Very high | 93.6 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | trans | -85.8 | 146.7 | -176.9 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | E402 D403 | S345-E402 WeakPolarHBondContact O-CB 3.35Å; S345-E402 PolarHBondContact O-N 2.88Å; S345-D403 PolarHBondContact N-OD2 3.48Å | ||
| 346 | Y | 98 | Very high | 93.3 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 162 | 171 | -53.9 | -88.5 | 0 | 0 | 0 | 111.7 | Y359 T363 R367 P368 F394 H398 M401 | Y346-Y359 WeakPolarHBondContact O-CB 3.23Å; Y346-Y359 PolarHBondContact O-N 3.27Å; Y346-T363 HydrophobicContact CE2-CG2 3.8Å; Y346-R367 VanDerWaalsContact OH-CG 3.3Å; Y346-R367 WeakPolarHBondContact OH-CG 3.48Å; Y346-R367 PolarHBondContact OH-NE 2.82Å; Y346-R367 VanDerWaalsContact OH-NE 3.12Å; Y346-R367 PolarHBondContact OH-NH2 3.3Å; Y346-P368 PolarHBondContact OH-O 3.18Å; Y346-F394 HydrophobicContact CD1-CE1 4.09Å; Y346-F394 AromaticContact CD2-CE1 3.68Å; Y346-F394 HydrophobicContact CD2-CE1 3.68Å; Y346-F394 AromaticContact CD2-CZ 3.93Å; Y346-F394 HydrophobicContact CD2-CZ 3.93Å; Y346-F394 HydrophobicContact CE1-CE1 4.32Å; Y346-F394 AromaticContact CE2-CE1 3.95Å; Y346-F394 HydrophobicContact CE2-CE1 3.95Å; Y346-F394 HydrophobicContact CE2-CZ 4.42Å; Y346-F394 AromaticContact CG-CE1 3.78Å; Y346-F394 HydrophobicContact CG-CE1 3.78Å; Y346-F394 HydrophobicContact CG-CZ 4.25Å; Y346-H398 HydrophobicContact CD1-CB 4.21Å; Y346-H398 HydrophobicContact CG-CB 4.36Å; Y346-M401 HydrophobicContact CD1-CE 3.95Å; Y346-M401 HydrophobicContact CD1-SD 3.93Å; Y346-M401 HydrophobicContact CE1-CE 4.03Å; Y346-M401 HydrophobicContact CE1-SD 4.09Å; Y346-M401 HydrophobicContact CG-CE 4.38Å |
| 347 | K | 95.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 62.4 Ų | 62.4 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.7 | 172.3 | -155.4 | 176.4 | -155.8 | 100.5 | 0 | 110.2 | E246 W356 L400 E402 | E246-K347 HydrophobicContact CB-CD 3.78Å; E246-K347 HydrophobicContact CG-CD 3.88Å; K347-W356 HydrophobicContact CD-CB 4.31Å; K347-W356 HydrophobicContact CD-CE3 4.46Å; K347-W356 HydrophobicContact CG-CB 4.41Å; K347-W356 HydrophobicContact CG-CE3 4.13Å; K347-L400 HydrophobicContact CB-CB 4.42Å; K347-L400 HydrophobicContact CB-CD2 4.28Å; K347-L400 HydrophobicContact CB-CG 4.06Å; K347-L400 HydrophobicContact CD-CD2 3.76Å; K347-L400 HydrophobicContact CD-CG 4.22Å; K347-L400 PolarHBondContact N-O 2.81Å; K347-E402 HydrophobicContact CB-CB 4.38Å; K347-E402 WeakPolarHBondContact CD-OE2 3.4Å; K347-E402 VanDerWaalsContact CE-OE2 3.25Å; K347-E402 WeakPolarHBondContact CE-OE2 3.5Å; K347-E402 VanDerWaalsContact CG-OE2 3.27Å; K347-E402 WeakPolarHBondContact CG-OE2 3.33Å; K347-E402 IonicContact NZ-OE2 3.85Å; K347-E402 PolarHBondContact NZ-OE2 2.93Å |
| 348 | E | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.1 | -178.5 | -178.1 | 178.7 | -139.1 | 0 | 0 | 110.2 | W356 G357 Y359 H398 | E348-W356 VanDerWaalsContact C-CE3 3.44Å; E348-W356 WeakPolarHBondContact O-CA 3.46Å; E348-G357 PolarHBondContact N-O 3.04Å; E348-G357 PolarHBondContact O-N 3.42Å; E348-Y359 HydrophobicContact CB-CD2 4.26Å; E348-Y359 WeakPolarHBondContact OE2-CD2 3.48Å; E348-H398 WeakPolarHBondContact CG-NE2 3.28Å; E348-H398 IonicContact OE1-NE2 3.95Å; E348-H398 PolarHBondContact OE1-NE2 2.75Å |
| 349 | Y | 90 | Very high | 92.9 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 35% | 0.345 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 109.8 | 166.9 | -177 | -101.4 | 0 | 0 | 0 | 109.7 | E351 Q354 W356 | Y349-E351 HydrophobicContact CD1-CG 4.18Å; Y349-E351 HydrophobicContact CE1-CG 4.24Å; Y349-E351 PolarHBondContact O-N 2.59Å; Y349-Q354 VanDerWaalsContact CE2-C 3.45Å; Y349-Q354 VanDerWaalsContact CE2-O 3.29Å; Y349-Q354 WeakPolarHBondContact CE2-O 2.93Å; Y349-Q354 VanDerWaalsContact OH-C 3.23Å; Y349-Q354 VanDerWaalsContact OH-CA 3.27Å; Y349-Q354 WeakPolarHBondContact OH-CA 3.36Å; Y349-Q354 PolarHBondContact OH-O 2.96Å; Y349-Q354 PolarHBondContact OH-OE1 3.01Å; Y349-W356 AromaticContact CD2-CD1 3.65Å; Y349-W356 HydrophobicContact CD2-CD2 4.3Å; Y349-W356 HydrophobicContact CD2-CG 4.1Å; Y349-W356 AromaticContact CD2-NE1 3.61Å |
| 350 | R | 88.1 | Confident | 92.7 | Very high | 87 Ų | 87 | 69.3 Ų | 69.3 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 96.8 | -177.3 | -66.7 | 175.8 | 172.6 | -116.7 | -0.3 | 109.5 | A352 S353 Q354 R355 R358 T360 | R350-A352 VanDerWaalsContact C-N 3.27Å; R350-A352 PolarHBondContact O-N 2.92Å; R350-S353 WeakPolarHBondContact CB-OG 3.37Å; R350-S353 CarbonylContact O-C 3.5Å; R350-S353 PolarHBondContact O-N 2.87Å; R350-S353 PolarHBondContact O-OG 2.96Å; R350-Q354 PolarHBondContact O-N 3.4Å; R350-R355 PolarHBondContact N-O 3.33Å; R350-R355 PolarHBondContact O-N 2.88Å; R350-R358 PolarHBondContact NE-O 2.78Å; R350-R358 PolarHBondContact NH2-O 3.17Å; R350-T360 PolarHBondContact NH2-OG1 2.81Å |
| 351 | E | 86.5 | Confident | 92.5 | Very high | 142 Ų | 142 | 65.4 Ų | 65.4 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -51.9 | -42.8 | -177.2 | -64.2 | -174.7 | 161.3 | 0 | 0 | 113.2 | Y349 S353 Q354 | Y349-E351 HydrophobicContact CD1-CG 4.18Å; Y349-E351 HydrophobicContact CE1-CG 4.24Å; Y349-E351 PolarHBondContact O-N 2.59Å; E351-S353 PolarHBondContact O-N 3.2Å; E351-S353 VanDerWaalsContact O-N 3.14Å; E351-Q354 PolarHBondContact O-N 3.24Å; E351-Q354 PolarHBondContact O-NE2 2.83Å |
| 352 | A | 87.5 | Confident | 92.3 | Very high | 113 Ų | 113 | 69 Ų | 69 | 93% | 0.934 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R350 | R350-A352 VanDerWaalsContact C-N 3.27Å; R350-A352 PolarHBondContact O-N 2.92Å |
| 353 | S | 84.4 | Confident | 92.2 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -117.7 | 8.6 | 174 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | R350 E351 R355 | R350-S353 WeakPolarHBondContact CB-OG 3.37Å; R350-S353 CarbonylContact O-C 3.5Å; R350-S353 PolarHBondContact O-N 2.87Å; R350-S353 PolarHBondContact O-OG 2.96Å; E351-S353 PolarHBondContact O-N 3.2Å; E351-S353 VanDerWaalsContact O-N 3.14Å; S353-R355 WeakPolarHBondContact O-CG 3.47Å; S353-R355 PolarHBondContact O-N 2.85Å; S353-R355 WeakPolarHBondContact OG-CG 3.43Å |
| 354 | Q | 86.4 | Confident | 92.2 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 25.6 | 179.3 | -66.2 | -73 | -78.6 | 0 | 0 | 115.2 | Y349 R350 E351 | Y349-Q354 VanDerWaalsContact CE2-C 3.45Å; Y349-Q354 VanDerWaalsContact CE2-O 3.29Å; Y349-Q354 WeakPolarHBondContact CE2-O 2.93Å; Y349-Q354 VanDerWaalsContact OH-C 3.23Å; Y349-Q354 VanDerWaalsContact OH-CA 3.27Å; Y349-Q354 WeakPolarHBondContact OH-CA 3.36Å; Y349-Q354 PolarHBondContact OH-O 2.96Å; Y349-Q354 PolarHBondContact OH-OE1 3.01Å; R350-Q354 PolarHBondContact O-N 3.4Å; E351-Q354 PolarHBondContact O-N 3.24Å; E351-Q354 PolarHBondContact O-NE2 2.83Å |
| 355 | R | 88.8 | Confident | 92.2 | Very high | 160 Ų | 160 | 73 Ų | 73 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.7 | -171.7 | 66 | 179.7 | -75.2 | 171.7 | 1.1 | 113.2 | R350 S353 | R350-R355 PolarHBondContact N-O 3.33Å; R350-R355 PolarHBondContact O-N 2.88Å; S353-R355 WeakPolarHBondContact O-CG 3.47Å; S353-R355 PolarHBondContact O-N 2.85Å; S353-R355 WeakPolarHBondContact OG-CG 3.43Å |
| 356 | W | 91.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 71.4 Ų | 71.4 | 16% | 0.163 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 154 | 169.3 | -66.8 | 84.7 | 0 | 0 | 0 | 112.6 | A209 L245 E246 K347 E348 Y349 L400 | A209-W356 HydrophobicContact CB-CH2 4.27Å; L245-W356 HydrophobicContact CB-CZ2 4.18Å; L245-W356 PolarHBondContact O-NE1 3.08Å; E246-W356 HydrophobicContact CB-CB 3.75Å; E246-W356 HydrophobicContact CB-CD2 4.13Å; E246-W356 HydrophobicContact CB-CG 3.72Å; K347-W356 HydrophobicContact CD-CB 4.31Å; K347-W356 HydrophobicContact CD-CE3 4.46Å; K347-W356 HydrophobicContact CG-CB 4.41Å; K347-W356 HydrophobicContact CG-CE3 4.13Å; E348-W356 VanDerWaalsContact C-CE3 3.44Å; E348-W356 WeakPolarHBondContact O-CA 3.46Å; Y349-W356 AromaticContact CD2-CD1 3.65Å; Y349-W356 HydrophobicContact CD2-CD2 4.3Å; Y349-W356 HydrophobicContact CD2-CG 4.1Å; Y349-W356 AromaticContact CD2-NE1 3.61Å; W356-L400 HydrophobicContact CZ3-CD2 4.48Å |
| 357 | G | 92.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 74.9 Ų | 74.9 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E348 Y359 | E348-G357 PolarHBondContact N-O 3.04Å; E348-G357 PolarHBondContact O-N 3.42Å; G357-Y359 PolarHBondContact O-N 3.35Å |
| 358 | R | 94.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 73.5 Ų | 73.5 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.5 | 132.9 | 176.5 | -171.5 | 169.1 | -82.2 | -156.4 | -7.6 | 112.6 | R350 E402 D403 | R350-R358 PolarHBondContact NE-O 2.78Å; R350-R358 PolarHBondContact NH2-O 3.17Å; R358-E402 HydrophobicContact CB-CB 4.43Å; R358-E402 HydrophobicContact CB-CG 3.73Å; R358-E402 WeakPolarHBondContact CB-OE1 3.29Å; R358-E402 HydrophobicContact CG-CB 4.43Å; R358-E402 HydrophobicContact CG-CG 3.98Å; R358-E402 VanDerWaalsContact N-CD 3.33Å; R358-E402 PolarHBondContact N-OE1 2.9Å; R358-E402 PolarHBondContact N-OE2 2.83Å; R358-D403 IonicContact CZ-OD1 2.7Å; R358-D403 IonicContact NH2-OD1 2.79Å; R358-D403 PolarHBondContact NH2-OD1 2.88Å; R358-D403 IonicContact NH2-OD2 2.76Å |
| 359 | Y | 95 | Very high | 92.4 | Very high | 49 Ų | 49 | 70.8 Ų | 70.8 | 19% | 0.192 | 39% | 0.39 | C | S | . | . | trans | -70.2 | 133.1 | 166.9 | -178.9 | -102.8 | 0 | 0 | 0 | 110.3 | Y346 E348 G357 G361 A362 F394 | Y346-Y359 WeakPolarHBondContact O-CB 3.23Å; Y346-Y359 PolarHBondContact O-N 3.27Å; E348-Y359 HydrophobicContact CB-CD2 4.26Å; E348-Y359 WeakPolarHBondContact OE2-CD2 3.48Å; G357-Y359 PolarHBondContact O-N 3.35Å; Y359-G361 WeakPolarHBondContact CE1-O 3.47Å; Y359-G361 VanDerWaalsContact CZ-CA 3.48Å; Y359-G361 WeakPolarHBondContact OH-CA 3.4Å; Y359-A362 PolarHBondContact OH-O 3Å; Y359-F394 HydrophobicContact CD1-CE2 4.16Å; Y359-F394 AromaticContact CD1-CZ 3.82Å; Y359-F394 HydrophobicContact CD1-CZ 3.82Å; Y359-F394 HydrophobicContact CD2-CE2 4.47Å; Y359-F394 HydrophobicContact CD2-CZ 4.43Å; Y359-F394 AromaticContact CE1-CE2 3.62Å; Y359-F394 HydrophobicContact CE1-CE2 3.62Å; Y359-F394 AromaticContact CE1-CZ 3.75Å; Y359-F394 HydrophobicContact CE1-CZ 3.75Å; Y359-F394 HydrophobicContact CE2-CE2 4Å; Y359-F394 HydrophobicContact CE2-CZ 4.4Å; Y359-F394 HydrophobicContact CG-CZ 4.17Å; Y359-F394 AromaticContact CZ-CE2 3.55Å | ||
| 360 | T | 93.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 67.9 Ų | 67.9 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | trans | -127.6 | 13.8 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | R350 | R350-T360 PolarHBondContact NH2-OG1 2.81Š| ||
| 361 | G | 92.4 | Very high | 93.1 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -92.3 | -173.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y359 T363 | Y359-G361 WeakPolarHBondContact CE1-O 3.47Å; Y359-G361 VanDerWaalsContact CZ-CA 3.48Å; Y359-G361 WeakPolarHBondContact OH-CA 3.4Å; G361-T363 PolarHBondContact O-N 3.2Å |
| 362 | A | 94.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 74% | 0.736 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 124.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y359 | Y359-A362 PolarHBondContact OH-O 3Š|
| 363 | T | 95.6 | Very high | 94 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 132.7 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | Y346 G361 P368 | Y346-T363 HydrophobicContact CE2-CG2 3.8Å; G361-T363 PolarHBondContact O-N 3.2Å; T363-P368 HydrophobicContact CG2-CG 4.25Å |
| 364 | P | 96.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 160.2 | 174.1 | -27.6 | 35.4 | 0 | 0 | 0 | 114.5 | P366 P368 T391 F394 | P364-P366 CarbonylContact C-O 3.53Å; P364-P368 HydrophobicContact CB-CG 4.13Å; P364-P368 HydrophobicContact CG-CG 4.11Å; P364-T391 WeakPolarHBondContact CB-OG1 3.39Å; P364-F394 HydrophobicContact CG-CB 3.9Å; P364-F394 HydrophobicContact CG-CD2 3.87Å; P364-F394 HydrophobicContact CG-CG 4.02Å |
| 365 | S | 94.8 | Very high | 95 | Very high | 103 Ų | 103 | 53.1 Ų | 53.1 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -123.8 | 133.1 | 170.6 | -169.4 | 0 | 0 | 0 | 0 | 110 | ||
| 366 | P | 96.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | S | Bend | cis | -56.1 | 159 | -7.1 | -29.8 | 39.5 | 0 | 0 | 0 | 114.4 | P364 P368 D376 Y381 L387 T391 | P364-P366 CarbonylContact C-O 3.53Å; P366-P368 WeakPolarHBondContact O-CD 3.34Å; P366-D376 VanDerWaalsContact CB-OD1 3.28Å; P366-D376 WeakPolarHBondContact CB-OD1 3.41Å; P366-D376 WeakPolarHBondContact CG-OD1 3.22Å; P366-Y381 HydrophobicContact CG-CD2 3.42Å; P366-Y381 VanDerWaalsContact CG-CD2 3.42Å; P366-Y381 HydrophobicContact CG-CE2 3.55Å; P366-Y381 HydrophobicContact CG-CG 3.99Å; P366-L387 HydrophobicContact CB-CD2 3.79Å; P366-L387 HydrophobicContact CG-CD2 3.75Å; P366-T391 WeakPolarHBondContact O-CG2 3.49Å; P366-T391 PolarHBondContact O-OG1 2.97Å |
| 367 | R | 96.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | trans | -64.7 | 125.7 | -172.8 | 179.4 | 176 | 167.7 | 111.6 | 3.1 | 111 | F342 E343 G344 Y346 G369 S370 | F342-R367 PolarHBondContact O-NH2 2.97Å; E343-R367 VanDerWaalsContact O-CZ 3.23Å; E343-R367 PolarHBondContact O-NH1 3.3Å; E343-R367 PolarHBondContact O-NH2 2.9Å; E343-R367 VanDerWaalsContact O-NH2 3.09Å; G344-R367 PolarHBondContact O-NH2 2.82Å; Y346-R367 VanDerWaalsContact OH-CG 3.3Å; Y346-R367 WeakPolarHBondContact OH-CG 3.48Å; Y346-R367 PolarHBondContact OH-NE 2.82Å; Y346-R367 VanDerWaalsContact OH-NE 3.12Å; Y346-R367 PolarHBondContact OH-NH2 3.3Å; R367-G369 PolarHBondContact O-N 3.04Å; R367-S370 PolarHBondContact O-N 3.3Å; R367-S370 VanDerWaalsContact O-N 3.17Å; R367-S370 PolarHBondContact O-OG 3.31Å; R367-S370 VanDerWaalsContact O-OG 3.1Å | ||
| 368 | P | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 113.1 | 179 | -27.5 | 35.4 | 0 | 0 | 0 | 113.6 | Q280 Y346 T363 P364 P366 T391 F394 A395 | Q280-P368 PolarHBondContact NE2-O 2.67Å; Y346-P368 PolarHBondContact OH-O 3.18Å; T363-P368 HydrophobicContact CG2-CG 4.25Å; P364-P368 HydrophobicContact CB-CG 4.13Å; P364-P368 HydrophobicContact CG-CG 4.11Å; P366-P368 WeakPolarHBondContact O-CD 3.34Å; P368-T391 HydrophobicContact CB-CG2 4.36Å; P368-T391 HydrophobicContact CG-CG2 4.12Å; P368-F394 HydrophobicContact CB-CB 4.26Å; P368-F394 HydrophobicContact CB-CD1 3.52Å; P368-F394 HydrophobicContact CB-CE1 4.27Å; P368-F394 HydrophobicContact CB-CG 4.22Å; P368-F394 HydrophobicContact CG-CB 3.86Å; P368-F394 HydrophobicContact CG-CD1 3.42Å; P368-F394 VanDerWaalsContact CG-CD1 3.42Å; P368-F394 HydrophobicContact CG-CE1 4.14Å; P368-F394 HydrophobicContact CG-CG 3.75Å; P368-A395 HydrophobicContact CB-CB 4.1Å |
| 369 | G | 96.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 8.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q280 R367 | Q280-G369 PolarHBondContact NE2-O 2.8Å; Q280-G369 PolarHBondContact OE1-O 3.49Å; R367-G369 PolarHBondContact O-N 3.04Å |
| 370 | S | 96.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 162.4 | 164.3 | 64 | 0 | 0 | 0 | 0 | 111.5 | T278 R367 | T278-S370 WeakPolarHBondContact CG2-O 3.41Å; R367-S370 PolarHBondContact O-N 3.3Å; R367-S370 VanDerWaalsContact O-N 3.17Å; R367-S370 PolarHBondContact O-OG 3.31Å; R367-S370 VanDerWaalsContact O-OG 3.1Å |
| 371 | C | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 163.1 | 163.3 | -47.7 | 0 | 0 | 0 | 0 | 109.7 | D232 D233 K235 C262 T373 | D232-C371 WeakPolarHBondContact OD1-CB 3.26Å; D233-C371 HydrophobicContact CB-CB 3.83Å; K235-C371 WeakPolarHBondContact CE-SG 3.47Å; C262-C371 HydrophobicContact CB-CB 3.87Å; C262-C371 WeakPolarHBondContact CB-SG 3.43Å; C262-C371 WeakPolarHBondContact SG-CA 3.11Å; C262-C371 WeakPolarHBondContact SG-CB 3.36Å; C262-C371 PolarHBondContact SG-N 3.14Å; C262-C371 CovalentContact SG-SG 2.03Å; C262-C371 PolarHBondContact SG-SG 2.85Å; C371-T373 PolarHBondContact O-N 3.39Å |
| 372 | I | 97.1 | Very high | 96 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 121 | 175.4 | -51.3 | -56.8 | 0 | 0 | 0 | 108.7 | D376 R377 Y381 L387 | I372-D376 HydrophobicContact CG2-CB 3.79Å; I372-R377 VanDerWaalsContact C-NH1 3.27Å; I372-R377 HydrophobicContact CG2-CG 4.22Å; I372-R377 PolarHBondContact O-NH1 2.81Å; I372-Y381 WeakPolarHBondContact CG2-O 3.46Å; I372-L387 HydrophobicContact CD1-CD1 4.13Å; I372-L387 HydrophobicContact CD1-CD2 3.86Å; I372-L387 HydrophobicContact CD1-CG 4.08Å |
| 373 | T | 96.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | trans | -98.4 | 177.3 | -178.8 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | D230 C371 S375 D376 R377 | D230-T373 CarbonylContact O-C 3.59Å; D230-T373 WeakPolarHBondContact O-CA 3.38Å; D230-T373 WeakPolarHBondContact O-CB 3.27Å; C371-T373 PolarHBondContact O-N 3.39Å; T373-S375 VanDerWaalsContact C-N 3.33Å; T373-S375 PolarHBondContact OG1-N 3.48Å; T373-D376 WeakPolarHBondContact CB-OD2 3.5Å; T373-D376 PolarHBondContact N-OD2 3.38Å; T373-D376 PolarHBondContact O-N 2.79Å; T373-D376 VanDerWaalsContact OG1-CG 3.32Å; T373-D376 PolarHBondContact OG1-N 3.44Å; T373-D376 PolarHBondContact OG1-OD2 2.84Å; T373-R377 WeakPolarHBondContact O-CG 3.27Å; T373-R377 PolarHBondContact O-N 2.85Å; T373-R377 VanDerWaalsContact O-N 3.16Å; T373-R377 PolarHBondContact O-NH1 2.92Å | ||
| 374 | N | 95.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 172.2 | -72.7 | -19.2 | 0 | 0 | 0 | 111.2 | Q229 D230 G231 D376 R377 E378 | Q229-N374 PolarHBondContact O-ND2 2.87Å; Q229-N374 VanDerWaalsContact O-ND2 3.08Å; D230-N374 PolarHBondContact O-N 3.37Å; G231-N374 PolarHBondContact N-ND2 2.94Å; N374-D376 VanDerWaalsContact C-N 3.31Å; N374-D376 PolarHBondContact O-N 3.45Å; N374-R377 WeakPolarHBondContact O-CB 3.47Å; N374-R377 PolarHBondContact O-N 3.41Å; N374-R377 VanDerWaalsContact O-N 3.13Å; N374-E378 WeakPolarHBondContact O-CG 3.35Å; N374-E378 PolarHBondContact O-N 2.86Å |
| 375 | S | 95.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 175.7 | -178 | 0 | 0 | 0 | 0 | 112.1 | T373 R377 E378 N379 | T373-S375 VanDerWaalsContact C-N 3.33Å; T373-S375 PolarHBondContact OG1-N 3.48Å; S375-R377 VanDerWaalsContact C-N 3.35Å; S375-R377 PolarHBondContact O-N 2.79Å; S375-E378 PolarHBondContact O-N 3.5Å; S375-N379 PolarHBondContact O-N 2.94Å; S375-N379 PolarHBondContact O-ND2 3.15Å |
| 376 | D | 96.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176 | -61.3 | -58.8 | 0 | 0 | 0 | 111.8 | P366 I372 T373 N374 N379 G380 Y381 | P366-D376 VanDerWaalsContact CB-OD1 3.28Å; P366-D376 WeakPolarHBondContact CB-OD1 3.41Å; P366-D376 WeakPolarHBondContact CG-OD1 3.22Å; I372-D376 HydrophobicContact CG2-CB 3.79Å; T373-D376 WeakPolarHBondContact CB-OD2 3.5Å; T373-D376 PolarHBondContact N-OD2 3.38Å; T373-D376 PolarHBondContact O-N 2.79Å; T373-D376 VanDerWaalsContact OG1-CG 3.32Å; T373-D376 PolarHBondContact OG1-N 3.44Å; T373-D376 PolarHBondContact OG1-OD2 2.84Å; N374-D376 VanDerWaalsContact C-N 3.31Å; N374-D376 PolarHBondContact O-N 3.45Å; D376-N379 CarbonylContact O-C 3.41Å; D376-N379 PolarHBondContact O-N 3.04Å; D376-G380 PolarHBondContact O-N 3.24Å; D376-Y381 CarbonylContact C-O 3.58Å; D376-Y381 WeakPolarHBondContact O-CA 3.36Å; D376-Y381 WeakPolarHBondContact O-CB 3.43Å; D376-Y381 WeakPolarHBondContact O-CD2 3.44Å; D376-Y381 PolarHBondContact O-N 2.95Å |
| 377 | R | 96.2 | Very high | 96.3 | Very high | 97 Ų | 97 | 52 Ų | 52 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176 | -68.6 | 171.3 | -180 | 82.2 | -6 | 112.2 | I372 T373 N374 S375 N379 G380 | I372-R377 VanDerWaalsContact C-NH1 3.27Å; I372-R377 HydrophobicContact CG2-CG 4.22Å; I372-R377 PolarHBondContact O-NH1 2.81Å; T373-R377 WeakPolarHBondContact O-CG 3.27Å; T373-R377 PolarHBondContact O-N 2.85Å; T373-R377 VanDerWaalsContact O-N 3.16Å; T373-R377 PolarHBondContact O-NH1 2.92Å; N374-R377 WeakPolarHBondContact O-CB 3.47Å; N374-R377 PolarHBondContact O-N 3.41Å; N374-R377 VanDerWaalsContact O-N 3.13Å; S375-R377 VanDerWaalsContact C-N 3.35Å; S375-R377 PolarHBondContact O-N 2.79Å; R377-N379 PolarHBondContact O-N 2.95Å; R377-G380 PolarHBondContact O-N 3.42Å |
| 378 | E | 96.4 | Very high | 96.3 | Very high | 162 Ų | 162 | 50.2 Ų | 50.2 | 76% | 0.757 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.1 | -32.6 | 173.8 | -72 | 170.7 | -171.1 | 0 | 0 | 112 | N374 S375 G380 | N374-E378 WeakPolarHBondContact O-CG 3.35Å; N374-E378 PolarHBondContact O-N 2.86Å; S375-E378 PolarHBondContact O-N 3.5Å; E378-G380 VanDerWaalsContact C-N 3.28Å; E378-G380 PolarHBondContact O-N 2.85Å |
| 379 | N | 95.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 12.3 | 173.3 | -73.3 | -89.9 | 0 | 0 | 0 | 113.9 | S375 D376 R377 Y381 | S375-N379 PolarHBondContact O-N 2.94Å; S375-N379 PolarHBondContact O-ND2 3.15Å; D376-N379 CarbonylContact O-C 3.41Å; D376-N379 PolarHBondContact O-N 3.04Å; R377-N379 PolarHBondContact O-N 2.95Å; N379-Y381 HydrophobicContact CB-CD2 4.05Å; N379-Y381 HydrophobicContact CB-CE2 3.96Å |
| 380 | G | 95.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -0.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D376 R377 E378 N382 Q386 | D376-G380 PolarHBondContact O-N 3.24Å; R377-G380 PolarHBondContact O-N 3.42Å; E378-G380 VanDerWaalsContact C-N 3.28Å; E378-G380 PolarHBondContact O-N 2.85Å; G380-N382 PolarHBondContact O-N 2.84Å; G380-Q386 PolarHBondContact O-NE2 3.31Å |
| 381 | Y | 95.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 54 Ų | 54 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | trans | -93.1 | 86.7 | 179.1 | -48.2 | -68.4 | 0 | 0 | 0 | 110.2 | P366 I372 D376 N379 Q386 P388 | P366-Y381 HydrophobicContact CG-CD2 3.42Å; P366-Y381 VanDerWaalsContact CG-CD2 3.42Å; P366-Y381 HydrophobicContact CG-CE2 3.55Å; P366-Y381 HydrophobicContact CG-CG 3.99Å; I372-Y381 WeakPolarHBondContact CG2-O 3.46Å; D376-Y381 CarbonylContact C-O 3.58Å; D376-Y381 WeakPolarHBondContact O-CA 3.36Å; D376-Y381 WeakPolarHBondContact O-CB 3.43Å; D376-Y381 WeakPolarHBondContact O-CD2 3.44Å; D376-Y381 PolarHBondContact O-N 2.95Å; N379-Y381 HydrophobicContact CB-CD2 4.05Å; N379-Y381 HydrophobicContact CB-CE2 3.96Å; Y381-Q386 HydrophobicContact CD1-CB 4.41Å; Y381-Q386 VanDerWaalsContact CD1-O 3.3Å; Y381-Q386 WeakPolarHBondContact CD1-O 3.48Å; Y381-P388 HydrophobicContact CE1-CG 3.84Å | ||
| 382 | N | 94.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 54 Ų | 54 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | trans | -82.2 | -13.5 | 179 | -68.2 | -48.7 | 0 | 0 | 0 | 113.8 | G380 | G380-N382 PolarHBondContact O-N 2.84Š| ||
| 383 | S | 95.2 | Very high | 96.3 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -157.2 | 165.1 | 178.4 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | L385 Q386 | S383-L385 PolarHBondContact O-N 2.78Å; S383-L385 VanDerWaalsContact O-N 3.14Å; S383-Q386 PolarHBondContact O-N 3.13Å; S383-Q386 PolarHBondContact OG-OE1 3.38Å |
| 384 | S | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -56 | -28.8 | 176.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | L266 G267 T277 Q386 L387 | L266-S384 WeakPolarHBondContact CA-OG 3.41Å; L266-S384 WeakPolarHBondContact CB-OG 3.44Å; L266-S384 PolarHBondContact N-OG 2.9Å; G267-S384 PolarHBondContact N-OG 3.03Å; G267-S384 CarbonylContact O-C 3.51Å; G267-S384 VanDerWaalsContact O-CB 3.32Å; G267-S384 WeakPolarHBondContact O-CB 3.4Å; G267-S384 PolarHBondContact O-OG 3.15Å; T277-S384 WeakPolarHBondContact OG1-CB 3.47Å; S384-Q386 PolarHBondContact O-N 2.9Å; S384-L387 WeakPolarHBondContact O-CB 3.19Å; S384-L387 WeakPolarHBondContact O-CG 3.23Å; S384-L387 PolarHBondContact O-N 3.46Å; S384-L387 VanDerWaalsContact O-N 3.16Å |
| 385 | L | 96.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -60.9 | -27.8 | 178.6 | -68.2 | 168.6 | 0 | 0 | 0 | 112.6 | L266 G267 T269 S383 | L266-L385 HydrophobicContact CB-CD1 4.14Å; L266-L385 HydrophobicContact CB-CG 3.99Å; L266-L385 HydrophobicContact CD1-CD1 4.04Å; G267-L385 WeakPolarHBondContact O-CA 3.36Å; G267-L385 WeakPolarHBondContact O-CD2 2.98Å; G267-L385 PolarHBondContact O-N 3.26Å; G267-L385 VanDerWaalsContact O-N 3.14Å; T269-L385 WeakPolarHBondContact CB-O 3.34Å; T269-L385 PolarHBondContact OG1-O 3.07Å; S383-L385 PolarHBondContact O-N 2.78Å; S383-L385 VanDerWaalsContact O-N 3.14Å |
| 386 | Q | 96.8 | Very high | 96.6 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -93 | -4.3 | -177.6 | -63.6 | 171.1 | -74.8 | 0 | 0 | 113.1 | G380 Y381 S383 S384 | G380-Q386 PolarHBondContact O-NE2 3.31Å; Y381-Q386 HydrophobicContact CD1-CB 4.41Å; Y381-Q386 VanDerWaalsContact CD1-O 3.3Å; Y381-Q386 WeakPolarHBondContact CD1-O 3.48Å; S383-Q386 PolarHBondContact O-N 3.13Å; S383-Q386 PolarHBondContact OG-OE1 3.38Å; S384-Q386 PolarHBondContact O-N 2.9Å |
| 387 | L | 97.6 | Very high | 96.6 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -61.5 | 141.6 | -179.5 | -72.3 | 173.5 | 0 | 0 | 0 | 111.7 | P366 I372 S384 L392 | P366-L387 HydrophobicContact CB-CD2 3.79Å; P366-L387 HydrophobicContact CG-CD2 3.75Å; I372-L387 HydrophobicContact CD1-CD1 4.13Å; I372-L387 HydrophobicContact CD1-CD2 3.86Å; I372-L387 HydrophobicContact CD1-CG 4.08Å; S384-L387 WeakPolarHBondContact O-CB 3.19Å; S384-L387 WeakPolarHBondContact O-CG 3.23Å; S384-L387 PolarHBondContact O-N 3.46Å; S384-L387 VanDerWaalsContact O-N 3.16Å; L387-L392 HydrophobicContact CB-CD1 4.4Å; L387-L392 HydrophobicContact CB-CD2 3.89Å; L387-L392 HydrophobicContact CB-CG 4.06Å; L387-L392 HydrophobicContact CD1-CD2 4.01Å |
| 388 | P | 97.3 | Very high | 96.6 | Very high | 39 Ų | 39 | 55 Ų | 55 | 25% | 0.253 | 30% | 0.295 | S | S | . | . | trans | -60.3 | 139.8 | 178 | -23 | 34.2 | 0 | 0 | 0 | 112.1 | Y381 A390 T391 L392 | Y381-P388 HydrophobicContact CE1-CG 3.84Å; P388-A390 PolarHBondContact O-N 3.49Å; P388-T391 WeakPolarHBondContact O-CB 3.41Å; P388-T391 PolarHBondContact O-N 2.89Å; P388-L392 PolarHBondContact O-N 3.3Å; P388-L392 VanDerWaalsContact O-N 3.08Å | ||
| 389 | D | 96 | Very high | 96.7 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.9 | -23.8 | 176.4 | -83.3 | -57.3 | 0 | 0 | 0 | 112.9 | R270 T271 N393 | R270-D389 IonicContact CZ-OD2 2.64Å; R270-D389 IonicContact NE-OD1 2.84Å; R270-D389 IonicContact NE-OD2 3.33Å; R270-D389 PolarHBondContact NE-OD2 2.85Å; R270-D389 IonicContact NH2-OD2 3.16Å; R270-D389 PolarHBondContact NH2-OD2 3.02Å; T271-D389 WeakPolarHBondContact CB-OD1 3.09Å; T271-D389 PolarHBondContact N-OD1 2.79Å; T271-D389 VanDerWaalsContact N-OD1 3.11Å; T271-D389 PolarHBondContact OG1-OD1 3.36Å; D389-N393 VanDerWaalsContact O-CB 3.28Å; D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.47Å; D389-N393 PolarHBondContact O-ND2 3.48Å |
| 390 | A | 96.5 | Very high | 96.8 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P388 F394 | P388-A390 PolarHBondContact O-N 3.49Å; A390-F394 WeakPolarHBondContact O-CB 3.04Å; A390-F394 PolarHBondContact O-N 3.29Å |
| 391 | T | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.2 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | P364 P366 P368 P388 F394 A395 | P364-T391 WeakPolarHBondContact CB-OG1 3.39Å; P366-T391 WeakPolarHBondContact O-CG2 3.49Å; P366-T391 PolarHBondContact O-OG1 2.97Å; P368-T391 HydrophobicContact CB-CG2 4.36Å; P368-T391 HydrophobicContact CG-CG2 4.12Å; P388-T391 WeakPolarHBondContact O-CB 3.41Å; P388-T391 PolarHBondContact O-N 2.89Å; T391-F394 PolarHBondContact O-N 2.88Å; T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 3.06Å |
| 392 | L | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | -179 | -61.8 | 177.4 | 0 | 0 | 0 | 113.1 | T271 L272 T277 L387 P388 F394 A395 K396 | T271-L392 HydrophobicContact CG2-CB 3.72Å; L272-L392 HydrophobicContact CD1-CB 4.39Å; L272-L392 HydrophobicContact CD1-CD2 4.46Å; L272-L392 WeakPolarHBondContact CD1-O 3.47Å; T277-L392 HydrophobicContact CG2-CD2 3.43Å; T277-L392 VanDerWaalsContact CG2-CD2 3.43Å; L387-L392 HydrophobicContact CB-CD1 4.4Å; L387-L392 HydrophobicContact CB-CD2 3.89Å; L387-L392 HydrophobicContact CB-CG 4.06Å; L387-L392 HydrophobicContact CD1-CD2 4.01Å; P388-L392 PolarHBondContact O-N 3.3Å; P388-L392 VanDerWaalsContact O-N 3.08Å; L392-F394 VanDerWaalsContact C-N 3.31Å; L392-A395 PolarHBondContact O-N 2.87Å; L392-K396 WeakPolarHBondContact O-CB 3.32Å; L392-K396 PolarHBondContact O-N 3.3Å |
| 393 | N | 97.4 | Very high | 97 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.7 | -31.9 | 175.1 | -80.4 | -76.9 | 0 | 0 | 0 | 111.9 | T271 D389 K397 | T271-N393 PolarHBondContact OG1-ND2 2.89Å; D389-N393 VanDerWaalsContact O-CB 3.28Å; D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.47Å; D389-N393 PolarHBondContact O-ND2 3.48Å; N393-K397 WeakPolarHBondContact O-CG 3.19Å; N393-K397 PolarHBondContact O-N 3.33Å |
| 394 | F | 98 | Very high | 97 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -51.2 | 171.6 | -168.3 | -73.8 | 0 | 0 | 0 | 111.1 | Y346 Y359 P364 P368 A390 T391 L392 K396 K397 H398 | Y346-F394 HydrophobicContact CD1-CE1 4.09Å; Y346-F394 AromaticContact CD2-CE1 3.68Å; Y346-F394 HydrophobicContact CD2-CE1 3.68Å; Y346-F394 AromaticContact CD2-CZ 3.93Å; Y346-F394 HydrophobicContact CD2-CZ 3.93Å; Y346-F394 HydrophobicContact CE1-CE1 4.32Å; Y346-F394 AromaticContact CE2-CE1 3.95Å; Y346-F394 HydrophobicContact CE2-CE1 3.95Å; Y346-F394 HydrophobicContact CE2-CZ 4.42Å; Y346-F394 AromaticContact CG-CE1 3.78Å; Y346-F394 HydrophobicContact CG-CE1 3.78Å; Y346-F394 HydrophobicContact CG-CZ 4.25Å; Y359-F394 HydrophobicContact CD1-CE2 4.16Å; Y359-F394 AromaticContact CD1-CZ 3.82Å; Y359-F394 HydrophobicContact CD1-CZ 3.82Å; Y359-F394 HydrophobicContact CD2-CE2 4.47Å; Y359-F394 HydrophobicContact CD2-CZ 4.43Å; Y359-F394 AromaticContact CE1-CE2 3.62Å; Y359-F394 HydrophobicContact CE1-CE2 3.62Å; Y359-F394 AromaticContact CE1-CZ 3.75Å; Y359-F394 HydrophobicContact CE1-CZ 3.75Å; Y359-F394 HydrophobicContact CE2-CE2 4Å; Y359-F394 HydrophobicContact CE2-CZ 4.4Å; Y359-F394 HydrophobicContact CG-CZ 4.17Å; Y359-F394 AromaticContact CZ-CE2 3.55Å; P364-F394 HydrophobicContact CG-CB 3.9Å; P364-F394 HydrophobicContact CG-CD2 3.87Å; P364-F394 HydrophobicContact CG-CG 4.02Å; P368-F394 HydrophobicContact CB-CB 4.26Å; P368-F394 HydrophobicContact CB-CD1 3.52Å; P368-F394 HydrophobicContact CB-CE1 4.27Å; P368-F394 HydrophobicContact CB-CG 4.22Å; P368-F394 HydrophobicContact CG-CB 3.86Å; P368-F394 HydrophobicContact CG-CD1 3.42Å; P368-F394 VanDerWaalsContact CG-CD1 3.42Å; P368-F394 HydrophobicContact CG-CE1 4.14Å; P368-F394 HydrophobicContact CG-CG 3.75Å; A390-F394 WeakPolarHBondContact O-CB 3.04Å; A390-F394 PolarHBondContact O-N 3.29Å; T391-F394 PolarHBondContact O-N 2.88Å; L392-F394 VanDerWaalsContact C-N 3.31Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 3.35Å; F394-K397 PolarHBondContact O-N 3.04Å; F394-K397 VanDerWaalsContact O-N 3.07Å; F394-H398 HydrophobicContact CD1-CB 3.9Å; F394-H398 AromaticContact CD1-CG 3.96Å; F394-H398 AromaticContact CD1-ND1 3.37Å; F394-H398 WeakPolarHBondContact CD1-ND1 3.1Å; F394-H398 AromaticContact CD2-CE1 3.92Å; F394-H398 AromaticContact CD2-ND1 3.59Å; F394-H398 HydrophobicContact CE1-CB 3.59Å; F394-H398 AromaticContact CE1-CG 3.63Å; F394-H398 AromaticContact CE1-ND1 3.32Å; F394-H398 VanDerWaalsContact CE1-ND1 3.32Å; F394-H398 WeakPolarHBondContact CE1-ND1 3.31Å; F394-H398 AromaticContact CE2-CE1 3.73Å; F394-H398 AromaticContact CE2-ND1 3.54Å; F394-H398 AromaticContact CG-ND1 3.51Å; F394-H398 HydrophobicContact CZ-CB 4.29Å; F394-H398 AromaticContact CZ-CE1 3.89Å; F394-H398 AromaticContact CZ-CG 3.88Å; F394-H398 AromaticContact CZ-ND1 3.41Å; F394-H398 WeakPolarHBondContact CZ-ND1 3.39Å; F394-H398 WeakPolarHBondContact O-CB 3.21Å; F394-H398 PolarHBondContact O-N 2.92Å; F394-H398 PolarHBondContact O-ND1 2.8Å |
| 395 | A | 97.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P368 T391 L392 K397 H398 | P368-A395 HydrophobicContact CB-CB 4.1Å; T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 3.06Å; L392-A395 PolarHBondContact O-N 2.87Å; A395-K397 VanDerWaalsContact C-N 3.29Å; A395-K397 PolarHBondContact O-N 3.35Å; A395-H398 PolarHBondContact O-N 3.29Å |
| 396 | K | 97.5 | Very high | 97 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -34.7 | 176.7 | -178.4 | 164.6 | 174.2 | 162.1 | 0 | 113.8 | E205 L207 W210 L272 L392 F394 | E205-K396 WeakPolarHBondContact OE1-CE 3.32Å; E205-K396 IonicContact OE1-NZ 3.42Å; E205-K396 PolarHBondContact OE1-NZ 3.36Å; L207-K396 HydrophobicContact CD1-CG 4.49Å; W210-K396 PolarHBondContact NE1-O 3.03Å; L272-K396 HydrophobicContact CD1-CB 4.2Å; L272-K396 HydrophobicContact CD2-CB 4.25Å; L272-K396 HydrophobicContact CD2-CD 4.12Å; L272-K396 HydrophobicContact CD2-CG 4.34Å; L272-K396 HydrophobicContact CG-CB 4.34Å; L272-K396 HydrophobicContact CG-CD 4.49Å; L392-K396 WeakPolarHBondContact O-CB 3.32Å; L392-K396 PolarHBondContact O-N 3.3Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 3.35Å |
| 397 | K | 95.8 | Very high | 96.8 | Very high | 149 Ų | 149 | 39 Ų | 39 | 65% | 0.648 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -87.6 | -29.3 | 179.6 | -71.6 | -176.1 | 176 | -169 | 0 | 113.8 | N393 F394 A395 P399 | N393-K397 WeakPolarHBondContact O-CG 3.19Å; N393-K397 PolarHBondContact O-N 3.33Å; F394-K397 PolarHBondContact O-N 3.04Å; F394-K397 VanDerWaalsContact O-N 3.07Å; A395-K397 VanDerWaalsContact C-N 3.29Å; A395-K397 PolarHBondContact O-N 3.35Å; K397-P399 VanDerWaalsContact O-CD 3.27Å; K397-P399 WeakPolarHBondContact O-CD 3.49Å |
| 398 | H | 96.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | trans | -120.6 | 56 | -171 | -56 | 110.7 | 0 | 0 | 0 | 113.6 | Y346 E348 F394 A395 L400 | Y346-H398 HydrophobicContact CD1-CB 4.21Å; Y346-H398 HydrophobicContact CG-CB 4.36Å; E348-H398 WeakPolarHBondContact CG-NE2 3.28Å; E348-H398 IonicContact OE1-NE2 3.95Å; E348-H398 PolarHBondContact OE1-NE2 2.75Å; F394-H398 HydrophobicContact CD1-CB 3.9Å; F394-H398 AromaticContact CD1-CG 3.96Å; F394-H398 AromaticContact CD1-ND1 3.37Å; F394-H398 WeakPolarHBondContact CD1-ND1 3.1Å; F394-H398 AromaticContact CD2-CE1 3.92Å; F394-H398 AromaticContact CD2-ND1 3.59Å; F394-H398 HydrophobicContact CE1-CB 3.59Å; F394-H398 AromaticContact CE1-CG 3.63Å; F394-H398 AromaticContact CE1-ND1 3.32Å; F394-H398 VanDerWaalsContact CE1-ND1 3.32Å; F394-H398 WeakPolarHBondContact CE1-ND1 3.31Å; F394-H398 AromaticContact CE2-CE1 3.73Å; F394-H398 AromaticContact CE2-ND1 3.54Å; F394-H398 AromaticContact CG-ND1 3.51Å; F394-H398 HydrophobicContact CZ-CB 4.29Å; F394-H398 AromaticContact CZ-CE1 3.89Å; F394-H398 AromaticContact CZ-CG 3.88Å; F394-H398 AromaticContact CZ-ND1 3.41Å; F394-H398 WeakPolarHBondContact CZ-ND1 3.39Å; F394-H398 WeakPolarHBondContact O-CB 3.21Å; F394-H398 PolarHBondContact O-N 2.92Å; F394-H398 PolarHBondContact O-ND1 2.8Å; A395-H398 PolarHBondContact O-N 3.29Å; H398-L400 PolarHBondContact O-N 2.9Å | ||
| 399 | P | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -72.2 | -16.4 | 176.4 | 33.5 | -38.6 | 0 | 0 | 0 | 112.8 | A209 W210 F279 Q280 K281 K397 | A209-P399 HydrophobicContact CB-CG 4.37Å; A209-P399 VanDerWaalsContact O-CG 3.27Å; A209-P399 WeakPolarHBondContact O-CG 3.46Å; W210-P399 HydrophobicContact CG-CB 4.39Å; W210-P399 HydrophobicContact CG-CG 4.22Å; F279-P399 HydrophobicContact CD1-CB 3.86Å; F279-P399 HydrophobicContact CE1-CB 3.9Å; Q280-P399 CarbonylContact C-O 3.56Å; Q280-P399 WeakPolarHBondContact CA-O 3.33Å; K281-P399 PolarHBondContact N-O 3.09Å; K397-P399 VanDerWaalsContact O-CD 3.27Å; K397-P399 WeakPolarHBondContact O-CD 3.49Å | ||
| 400 | L | 98.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.9 | -174.6 | 179.5 | 60.1 | 0 | 0 | 0 | 111.4 | E246 K281 K347 W356 H398 | E246-L400 HydrophobicContact CB-CD2 4.05Å; E246-L400 HydrophobicContact CG-CD2 4.05Å; K281-L400 HydrophobicContact CG-CD1 4.11Å; K281-L400 WeakPolarHBondContact O-CA 3.29Å; K347-L400 HydrophobicContact CB-CB 4.42Å; K347-L400 HydrophobicContact CB-CD2 4.28Å; K347-L400 HydrophobicContact CB-CG 4.06Å; K347-L400 HydrophobicContact CD-CD2 3.76Å; K347-L400 HydrophobicContact CD-CG 4.22Å; K347-L400 PolarHBondContact N-O 2.81Å; W356-L400 HydrophobicContact CZ3-CD2 4.48Å; H398-L400 PolarHBondContact O-N 2.9Å |
| 401 | M | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 147.9 | 169.9 | -50.5 | -46.4 | -62.9 | 0 | 0 | 111.2 | Q280 K281 A282 V341 F342 Y346 | Q280-M401 HydrophobicContact CB-SD 4.47Å; K281-M401 PolarHBondContact O-N 2.91Å; A282-M401 HydrophobicContact CB-CB 4.12Å; A282-M401 HydrophobicContact CB-CG 4.14Å; V341-M401 HydrophobicContact CG1-CB 4.07Å; V341-M401 HydrophobicContact CG1-CG 4.41Å; V341-M401 WeakPolarHBondContact O-CE 3.3Å; F342-M401 HydrophobicContact CD1-CG 3.77Å; F342-M401 HydrophobicContact CD1-SD 4.25Å; F342-M401 HydrophobicContact CE1-CG 4.19Å; Y346-M401 HydrophobicContact CD1-CE 3.95Å; Y346-M401 HydrophobicContact CD1-SD 3.93Å; Y346-M401 HydrophobicContact CE1-CE 4.03Å; Y346-M401 HydrophobicContact CE1-SD 4.09Å; Y346-M401 HydrophobicContact CG-CE 4.38Å |
| 402 | E | 96.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -43 | 175.3 | 170.3 | 69.2 | 165.6 | 0 | 0 | 111.8 | S345 K347 R358 | S345-E402 WeakPolarHBondContact O-CB 3.35Å; S345-E402 PolarHBondContact O-N 2.88Å; K347-E402 HydrophobicContact CB-CB 4.38Å; K347-E402 WeakPolarHBondContact CD-OE2 3.4Å; K347-E402 VanDerWaalsContact CE-OE2 3.25Å; K347-E402 WeakPolarHBondContact CE-OE2 3.5Å; K347-E402 VanDerWaalsContact CG-OE2 3.27Å; K347-E402 WeakPolarHBondContact CG-OE2 3.33Å; K347-E402 IonicContact NZ-OE2 3.85Å; K347-E402 PolarHBondContact NZ-OE2 2.93Å; R358-E402 HydrophobicContact CB-CB 4.43Å; R358-E402 HydrophobicContact CB-CG 3.73Å; R358-E402 WeakPolarHBondContact CB-OE1 3.29Å; R358-E402 HydrophobicContact CG-CB 4.43Å; R358-E402 HydrophobicContact CG-CG 3.98Å; R358-E402 VanDerWaalsContact N-CD 3.33Å; R358-E402 PolarHBondContact N-OE1 2.9Å; R358-E402 PolarHBondContact N-OE2 2.83Å |
| 403 | D | 96.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 162 | -176.2 | -53.2 | -54.3 | 0 | 0 | 0 | 110.6 | V341 S345 R358 | V341-D403 HydrophobicContact CG1-CB 4.25Å; V341-D403 WeakPolarHBondContact CG1-O 3.39Å; S345-D403 PolarHBondContact N-OD2 3.48Å; R358-D403 IonicContact CZ-OD1 2.7Å; R358-D403 IonicContact NH2-OD1 2.79Å; R358-D403 PolarHBondContact NH2-OD1 2.88Å; R358-D403 IonicContact NH2-OD2 2.76Å |
| 404 | K | 95.5 | Very high | 95.1 | Very high | 89 Ų | 89 | 39.8 Ų | 39.8 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.9 | -171.9 | 52.6 | 170.7 | 169.8 | 164.5 | 0 | 112.7 | R283 E285 L406 | R283-K404 HydrophobicContact CB-CB 4.09Å; E285-K404 HydrophobicContact CB-CD 4.16Å; E285-K404 WeakPolarHBondContact OE1-CD 3.48Å; E285-K404 IonicContact OE1-NZ 2.64Å; E285-K404 PolarHBondContact OE1-NZ 2.85Å; E285-K404 IonicContact OE2-NZ 2.77Å; E285-K404 PolarHBondContact OE2-NZ 3.04Å; K404-L406 HydrophobicContact CD-CD2 3.75Å; K404-L406 HydrophobicContact CG-CD2 4.01Å; K404-L406 HydrophobicContact CG-CG 4.45Å; K404-L406 PolarHBondContact O-N 2.9Å |
| 405 | A | 96.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 114.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R283 L284 E285 Y333 V338 | R283-A405 PolarHBondContact O-N 2.75Å; L284-A405 HydrophobicContact CD1-CB 3.95Å; E285-A405 PolarHBondContact N-O 2.8Å; Y333-A405 HydrophobicContact CD1-CB 4.3Å; V338-A405 HydrophobicContact CG2-CB 4.18Å |
| 406 | L | 94.8 | Very high | 94.4 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 60% | 0.602 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.4 | -175.5 | -67.2 | 175.1 | 0 | 0 | 0 | 111.4 | E285 K404 | E285-L406 HydrophobicContact CB-CD2 4.37Å; E285-L406 WeakPolarHBondContact OE2-CD2 3.26Å; K404-L406 HydrophobicContact CD-CD2 3.75Å; K404-L406 HydrophobicContact CG-CD2 4.01Å; K404-L406 HydrophobicContact CG-CG 4.45Å; K404-L406 PolarHBondContact O-N 2.9Å |
| 407 | G | 92.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E285 C286 S287 C331 Y333 | E285-G407 PolarHBondContact O-N 2.78Å; C286-G407 WeakPolarHBondContact CA-O 3.21Å; S287-G407 PolarHBondContact N-O 2.74Å; C331-G407 PolarHBondContact SG-O 2.89Å; C331-G407 VanDerWaalsContact SG-O 3.4Å; Y333-G407 VanDerWaalsContact CE1-N 3.28Å |
| 408 | R | 91 | Very high | 94.3 | Very high | 137 Ų | 137 | 34 Ų | 34 | 52% | 0.517 | 18% | 0.176 | S | C | . | . | trans | -93.3 | 137.9 | 168.4 | -71.1 | -178.6 | 173.7 | -84.6 | 6 | 109.1 | E290 L410 | E290-R408 IonicContact OE1-CZ 3.21Å; E290-R408 VanDerWaalsContact OE1-CZ 3.23Å; E290-R408 IonicContact OE1-NH1 2.9Å; E290-R408 PolarHBondContact OE1-NH1 2.8Å; E290-R408 IonicContact OE1-NH2 3.82Å; E290-R408 PolarHBondContact OE1-NH2 2.9Å; E290-R408 IonicContact OE2-CZ 2.78Å; E290-R408 IonicContact OE2-NH1 3.89Å; E290-R408 PolarHBondContact OE2-NH1 3.19Å; R408-L410 PolarHBondContact O-N 3.04Å | ||
| 409 | P | 92.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 126 | 173.7 | -27.5 | 34.5 | 0 | 0 | 0 | 111.9 | L21 S287 L288 F295 A329 V330 | L21-P409 WeakPolarHBondContact CD1-O 3.24Å; L21-P409 HydrophobicContact CD2-CB 4.11Å; S287-P409 WeakPolarHBondContact O-CD 3.28Å; L288-P409 HydrophobicContact CD1-CG 4.29Å; L288-P409 HydrophobicContact CD2-CG 4.3Å; L288-P409 HydrophobicContact CG-CG 3.95Å; F295-P409 HydrophobicContact CD2-CG 4.14Å; F295-P409 HydrophobicContact CE2-CG 3.87Å; A329-P409 HydrophobicContact CB-CB 4.27Å; A329-P409 HydrophobicContact CB-CG 4.26Å; V330-P409 CarbonylContact O-C 3.58Å; V330-P409 WeakPolarHBondContact O-CA 3.28Å |
| 410 | L | 93 | Very high | 94.4 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -37.3 | 167.8 | -58.5 | 175.5 | 0 | 0 | 0 | 110.7 | L21 Y315 V330 Q332 R408 I451 A456 | L21-L410 WeakPolarHBondContact CD1-O 3.1Å; Y315-L410 HydrophobicContact CD1-CD1 4.31Å; Y315-L410 HydrophobicContact CE1-CD1 3.74Å; V330-L410 PolarHBondContact O-N 2.88Å; Q332-L410 HydrophobicContact CB-CD1 4.01Å; Q332-L410 HydrophobicContact CG-CD1 3.97Å; Q332-L410 HydrophobicContact CG-CD2 4.41Å; Q332-L410 HydrophobicContact CG-CG 4.4Å; R408-L410 PolarHBondContact O-N 3.04Å; L410-I451 HydrophobicContact CB-CD1 4.15Å; L410-I451 HydrophobicContact CD1-CD1 4.07Å; L410-I451 HydrophobicContact CD1-CG1 4.31Å; L410-I451 HydrophobicContact CD1-CG2 4.49Å; L410-A456 WeakPolarHBondContact O-CB 3.21Å |
| 411 | L | 93.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.5 | 179.7 | 178.9 | 63.2 | 0 | 0 | 0 | 109.1 | P25 A329 V330 F418 I439 V449 A456 V458 | P25-L411 HydrophobicContact CG-CD1 3.41Å; P25-L411 VanDerWaalsContact CG-CD1 3.41Å; A329-L411 WeakPolarHBondContact CA-O 3.24Å; V330-L411 HydrophobicContact CB-CB 4.25Å; V330-L411 HydrophobicContact CG2-CB 4.26Å; V330-L411 HydrophobicContact CG2-CD2 4.28Å; V330-L411 PolarHBondContact N-O 2.88Å; L411-F418 HydrophobicContact CD2-CE2 3.71Å; L411-F418 HydrophobicContact CD2-CZ 3.82Å; L411-F418 HydrophobicContact CG-CE2 4.22Å; L411-F418 HydrophobicContact CG-CZ 4.45Å; L411-I439 HydrophobicContact CD2-CD1 3.41Å; L411-I439 VanDerWaalsContact CD2-CD1 3.41Å; L411-V449 HydrophobicContact CD2-CG1 4.42Å; L411-V449 HydrophobicContact CD2-CG2 4.16Å; L411-A456 HydrophobicContact CB-CB 4.3Å; L411-A456 HydrophobicContact CD1-CB 4.42Å; L411-V458 HydrophobicContact CD1-CG2 4.11Å |
| 412 | L | 91.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 119.1 | 178.1 | -175.2 | 73 | 0 | 0 | 0 | 110.2 | L21 W23 N24 P25 L288 F295 V327 S328 A329 | L21-L412 HydrophobicContact CD2-CB 4.24Å; W23-L412 HydrophobicContact CD2-CD2 3.61Å; W23-L412 HydrophobicContact CE3-CD2 4.21Å; W23-L412 HydrophobicContact CG-CD2 3.93Å; W23-L412 HydrophobicContact CH2-CD2 4.24Å; W23-L412 HydrophobicContact CZ2-CD2 3.61Å; N24-L412 VanDerWaalsContact CA-O 3.29Å; N24-L412 WeakPolarHBondContact CA-O 3.21Å; N24-L412 PolarHBondContact N-O 3.44Å; P25-L412 WeakPolarHBondContact CD-O 3.43Å; L288-L412 HydrophobicContact CD1-CD2 4.2Å; F295-L412 HydrophobicContact CE1-CD1 3.59Å; F295-L412 HydrophobicContact CE2-CD1 4.14Å; F295-L412 HydrophobicContact CZ-CD1 3.31Å; V327-L412 HydrophobicContact CG1-CD1 3.51Å; V327-L412 HydrophobicContact CG1-CG 4.07Å; S328-L412 WeakPolarHBondContact O-CA 3.39Å; A329-L412 HydrophobicContact CB-CD1 3.9Å |
| 413 | T | 91.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.1 | -174 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | N24 V327 S328 V416 F418 | N24-T413 WeakPolarHBondContact OD1-CG2 3.32Å; V327-T413 WeakPolarHBondContact CA-O 3.43Å; V327-T413 WeakPolarHBondContact CG1-O 3.49Å; S328-T413 PolarHBondContact N-O 3.49Å; S328-T413 PolarHBondContact O-N 3.3Å; T413-V416 HydrophobicContact CG2-CB 3.75Å; T413-V416 HydrophobicContact CG2-CG2 3.73Å; T413-F418 HydrophobicContact CG2-CZ 4.43Å; T413-F418 WeakPolarHBondContact OG1-CZ 3.22Å |
| 414 | K | 90.5 | Very high | 94.4 | Very high | 88 Ų | 88 | 33.1 Ų | 33.1 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.8 | -178.8 | -63.5 | -173.2 | 175.2 | -170.5 | 0 | 110.6 | N24 V325 V327 V416 | N24-K414 PolarHBondContact OD1-N 3.04Å; N24-K414 PolarHBondContact OD1-O 2.69Å; V325-K414 HydrophobicContact CG1-CB 4.09Å; V327-K414 HydrophobicContact CG1-CG 4.44Å; V327-K414 HydrophobicContact CG2-CG 4.27Å; K414-V416 PolarHBondContact O-N 3.14Å; K414-V416 VanDerWaalsContact O-N 3.14Å |
| 415 | G | 88.6 | Confident | 94.4 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 56% | 0.557 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 67.2 | 7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D326 | D326-G415 PolarHBondContact O-N 2.91Š|
| 416 | V | 92.4 | Very high | 94.3 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | trans | -121.8 | 121.4 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | S328 T413 K414 F418 T441 | S328-V416 WeakPolarHBondContact CB-O 3.33Å; S328-V416 PolarHBondContact OG-O 2.98Å; T413-V416 HydrophobicContact CG2-CB 3.75Å; T413-V416 HydrophobicContact CG2-CG2 3.73Å; K414-V416 PolarHBondContact O-N 3.14Å; K414-V416 VanDerWaalsContact O-N 3.14Å; V416-F418 HydrophobicContact CB-CE1 4.41Å; V416-F418 HydrophobicContact CG1-CD1 3.91Å; V416-F418 HydrophobicContact CG1-CE1 3.71Å; V416-T441 HydrophobicContact CG1-CG2 3.72Å | ||
| 417 | N | 94.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 31.9 Ų | 31.9 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | trans | -100.9 | 100.1 | -175 | -71.5 | -1.9 | 0 | 0 | 0 | 109.5 | D326 S328 T441 A442 | D326-N417 WeakPolarHBondContact CB-OD1 3.08Å; D326-N417 PolarHBondContact OD2-ND2 2.85Å; S328-N417 WeakPolarHBondContact OG-CA 3.46Å; N417-T441 CarbonylContact O-C 3.43Å; N417-T441 WeakPolarHBondContact O-CA 3.04Å; N417-A442 HydrophobicContact CB-CB 4.11Å; N417-A442 PolarHBondContact O-N 3.03Å | ||
| 418 | F | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 138.1 | 177.8 | -60.8 | -24.8 | 0 | 0 | 0 | 111 | I317 H319 S328 V330 L411 T413 V416 I439 G440 T441 | I317-F418 HydrophobicContact CD1-CB 3.94Å; I317-F418 HydrophobicContact CG1-CB 4.36Å; I317-F418 HydrophobicContact CG2-CB 3.68Å; H319-F418 PolarHBondContact CE1-O 2.93Å; H319-F418 PolarHBondContact NE2-O 3.4Å; S328-F418 PolarHBondContact OG-N 3.42Å; V330-F418 HydrophobicContact CG2-CD2 4.1Å; V330-F418 HydrophobicContact CG2-CE2 4.13Å; L411-F418 HydrophobicContact CD2-CE2 3.71Å; L411-F418 HydrophobicContact CD2-CZ 3.82Å; L411-F418 HydrophobicContact CG-CE2 4.22Å; L411-F418 HydrophobicContact CG-CZ 4.45Å; T413-F418 HydrophobicContact CG2-CZ 4.43Å; T413-F418 WeakPolarHBondContact OG1-CZ 3.22Å; V416-F418 HydrophobicContact CB-CE1 4.41Å; V416-F418 HydrophobicContact CG1-CD1 3.91Å; V416-F418 HydrophobicContact CG1-CE1 3.71Å; F418-I439 HydrophobicContact CB-CG2 3.81Å; F418-I439 HydrophobicContact CD1-CG2 3.56Å; F418-I439 HydrophobicContact CD2-CG2 3.81Å; F418-I439 HydrophobicContact CE1-CG2 3.96Å; F418-I439 HydrophobicContact CE2-CD1 4.34Å; F418-I439 HydrophobicContact CE2-CG2 4.22Å; F418-I439 HydrophobicContact CG-CG2 3.47Å; F418-I439 VanDerWaalsContact CG-CG2 3.47Å; F418-I439 HydrophobicContact CZ-CG2 4.27Å; F418-G440 CarbonylContact C-O 3.55Å; F418-G440 WeakPolarHBondContact CA-O 3.24Å; F418-T441 HydrophobicContact CD1-CG2 4.14Å; F418-T441 HydrophobicContact CE1-CG2 4.49Å |
| 419 | T | 97.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -33.8 | -173.4 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | G440 A442 V471 | T419-G440 PolarHBondContact N-O 2.68Å; T419-G440 PolarHBondContact OG1-O 3.48Å; T419-A442 HydrophobicContact CG2-CB 3.83Å; T419-V471 WeakPolarHBondContact CB-O 3.46Å; T419-V471 PolarHBondContact OG1-O 3.08Å |
| 420 | K | 97.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.9 | -174.3 | -64.5 | -69.4 | 160.5 | -98 | 0 | 111.2 | I317 G440 V471 D472 L474 | I317-K420 WeakPolarHBondContact CD1-O 2.97Å; K420-G440 PolarHBondContact O-N 2.88Å; K420-V471 HydrophobicContact CB-CG1 4.15Å; K420-V471 HydrophobicContact CG-CG1 4.22Å; K420-V471 WeakPolarHBondContact CG-O 3.44Å; K420-D472 WeakPolarHBondContact CE-O 3.41Å; K420-L474 HydrophobicContact CB-CB 3.77Å; K420-L474 HydrophobicContact CB-CD2 4.21Å; K420-L474 HydrophobicContact CG-CB 4.49Å |
| 421 | L | 97.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.4 | -176.5 | -179.4 | 65.7 | 0 | 0 | 0 | 111 | F302 Y315 I317 V330 V423 L437 F438 I439 | F302-L421 HydrophobicContact CB-CB 4.44Å; F302-L421 HydrophobicContact CB-CD2 3.99Å; F302-L421 HydrophobicContact CB-CG 4.05Å; F302-L421 WeakPolarHBondContact CD2-O 3.48Å; Y315-L421 VanDerWaalsContact CB-CD2 3.43Å; Y315-L421 HydrophobicContact CG-CD2 4.44Å; I317-L421 HydrophobicContact CD1-CB 3.76Å; I317-L421 HydrophobicContact CG1-CB 4.26Å; V330-L421 HydrophobicContact CG1-CD2 4.46Å; L421-V423 HydrophobicContact CD1-CG2 4.22Å; L421-V423 HydrophobicContact CD2-CG2 4.22Å; L421-V423 HydrophobicContact CG-CG2 4.08Å; L421-L437 HydrophobicContact CD1-CB 4.09Å; L421-L437 HydrophobicContact CD1-CD2 4.24Å; L421-L437 HydrophobicContact CD1-CG 4.03Å; L421-F438 WeakPolarHBondContact CA-O 3.06Å; L421-I439 HydrophobicContact CD1-CG1 3.83Å |
| 422 | A | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F302 F438 L474 I476 L483 | F302-A422 HydrophobicContact CD2-CB 4.4Å; F302-A422 HydrophobicContact CE2-CB 4.18Å; A422-F438 HydrophobicContact CB-CB 4.36Å; A422-F438 PolarHBondContact N-O 3.13Å; A422-F438 PolarHBondContact O-N 3.38Å; A422-L474 HydrophobicContact CB-CD2 4.06Å; A422-L474 HydrophobicContact CB-CG 4.12Å; A422-I476 HydrophobicContact CB-CB 4.19Å; A422-I476 HydrophobicContact CB-CG2 4.03Å; A422-L483 HydrophobicContact CB-CD1 4.04Å |
| 423 | V | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.2 | -179.7 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | F302 L304 Y315 L421 N435 M436 L437 H478 | F302-V423 HydrophobicContact CB-CG2 4.37Å; F302-V423 HydrophobicContact CD1-CB 3.65Å; F302-V423 HydrophobicContact CD1-CG2 3.67Å; F302-V423 HydrophobicContact CE1-CB 3.7Å; F302-V423 HydrophobicContact CE1-CG2 4.24Å; F302-V423 VanDerWaalsContact CE1-O 3.3Å; F302-V423 WeakPolarHBondContact CE1-O 3.26Å; F302-V423 HydrophobicContact CG-CB 4.49Å; F302-V423 HydrophobicContact CG-CG2 4.16Å; F302-V423 WeakPolarHBondContact CZ-O 3.23Å; L304-V423 HydrophobicContact CD1-CG1 4.4Å; L304-V423 HydrophobicContact CD2-CG1 3.99Å; Y315-V423 HydrophobicContact CD2-CG2 4Å; Y315-V423 HydrophobicContact CE2-CG1 4.34Å; Y315-V423 HydrophobicContact CG-CG2 4.14Å; L421-V423 HydrophobicContact CD1-CG2 4.22Å; L421-V423 HydrophobicContact CD2-CG2 4.22Å; L421-V423 HydrophobicContact CG-CG2 4.08Å; V423-N435 HydrophobicContact CG1-CB 4.22Å; V423-M436 VanDerWaalsContact CA-O 3.31Å; V423-M436 WeakPolarHBondContact CA-O 3.42Å; V423-L437 HydrophobicContact CG1-CD1 4.11Å; V423-L437 HydrophobicContact CG2-CD1 4.37Å; V423-L437 HydrophobicContact CG2-CG 4.09Å; V423-H478 PolarHBondContact O-CE1 2.86Å |
| 424 | D | 96.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 153.5 | 165.3 | -157.4 | 9.2 | 0 | 0 | 0 | 110.4 | N435 M436 F438 I476 H478 K481 L496 Y515 | D424-N435 WeakPolarHBondContact O-CA 3.45Å; D424-M436 PolarHBondContact N-O 2.62Å; D424-M436 PolarHBondContact O-N 3.28Å; D424-F438 HydrophobicContact CB-CE2 4.31Å; D424-I476 HydrophobicContact CB-CD1 3.75Å; D424-H478 IonicContact OD1-CE1 3.37Å; D424-H478 IonicContact OD1-CG 2.77Å; D424-H478 IonicContact OD1-ND1 3.77Å; D424-H478 PolarHBondContact OD1-ND1 2.99Å; D424-K481 IonicContact OD1-NZ 2.83Å; D424-K481 IonicContact OD2-NZ 3.55Å; D424-K481 PolarHBondContact OD2-NZ 2.85Å; D424-L496 HydrophobicContact CB-CD1 4.47Å; D424-Y515 VanDerWaalsContact CB-OH 3.29Å; D424-Y515 WeakPolarHBondContact CB-OH 3.29Å; D424-Y515 PolarHBondContact OD2-OH 3.16Å |
| 425 | R | 95.4 | Very high | 94.6 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112 | 166.8 | -174 | 179.2 | -65.4 | 129.2 | -8.2 | 108.2 | L304 P305 A433 Y434 N435 | L304-R425 HydrophobicContact CD1-CB 4.42Å; P305-R425 PolarHBondContact O-NH1 2.8Å; P305-R425 PolarHBondContact O-NH2 3.49Å; R425-A433 HydrophobicContact CG-CB 4.17Å; R425-Y434 WeakPolarHBondContact CA-O 3.26Å; R425-N435 PolarHBondContact NE-OD1 3.33Å |
| 426 | V | 94.4 | Very high | 95 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.7 | -169 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | Y434 M436 P514 Y515 | V426-Y434 PolarHBondContact N-O 2.68Å; V426-Y434 PolarHBondContact O-N 3.47Å; V426-M436 HydrophobicContact CG1-CB 4.11Å; V426-P514 HydrophobicContact CG1-CB 3.62Å; V426-P514 HydrophobicContact CG1-CG 3.58Å; V426-P514 HydrophobicContact CG2-CB 4.06Å; V426-Y515 HydrophobicContact CB-CE1 3.95Å; V426-Y515 HydrophobicContact CG1-CE1 4.37Å; V426-Y515 HydrophobicContact CG2-CD1 3.8Å; V426-Y515 HydrophobicContact CG2-CE1 3.75Å |
| 427 | S | 93.3 | Very high | 95.3 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 57% | 0.573 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.2 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | R432 | S427-R432 WeakPolarHBondContact CA-O 3.3Å |
| 428 | G | 92.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | trans | -75.3 | 172 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D430 Q431 R432 | G428-D430 PolarHBondContact O-N 3.5Å; G428-Q431 WeakPolarHBondContact O-CA 3.43Å; G428-Q431 PolarHBondContact O-N 3.32Å; G428-R432 PolarHBondContact N-O 3.21Å | ||
| 429 | L | 93.8 | Very high | 95.5 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 31% | 0.314 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | 172.7 | -65 | -173.3 | 0 | 0 | 0 | 113.1 | Q431 A517 I528 L538 Q540 | L429-Q431 PolarHBondContact O-N 3.25Å; L429-A517 HydrophobicContact CD1-CB 3.69Å; L429-A517 HydrophobicContact CG-CB 4.5Å; L429-I528 HydrophobicContact CD2-CD1 3.94Å; L429-I528 HydrophobicContact CD2-CG1 4.29Å; L429-I528 HydrophobicContact CD2-CG2 3.98Å; L429-I528 HydrophobicContact CG-CD1 3.95Å; L429-L538 HydrophobicContact CD1-CB 3.63Å; L429-L538 HydrophobicContact CD2-CD1 4.48Å; L429-Q540 HydrophobicContact CB-CB 4.25Å; L429-Q540 HydrophobicContact CD1-CB 3.82Å; L429-Q540 HydrophobicContact CG-CB 4.09Å |
| 430 | D | 90.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 8 | 170.6 | 73.7 | -19.1 | 0 | 0 | 0 | 113.3 | G428 R432 Y434 | G428-D430 PolarHBondContact O-N 3.5Å; D430-R432 PolarHBondContact O-N 3.03Å; D430-R432 VanDerWaalsContact O-N 3.13Å; D430-R432 WeakPolarHBondContact OD1-CB 3.28Å; D430-R432 PolarHBondContact OD1-N 2.93Å; D430-R432 VanDerWaalsContact OD1-N 3.14Å; D430-R432 WeakPolarHBondContact OD2-CD 3.04Å; D430-R432 WeakPolarHBondContact OD2-CG 3.37Å; D430-R432 IonicContact OD2-CZ 3.81Å; D430-R432 IonicContact OD2-NE 2.77Å; D430-R432 IonicContact OD2-NH1 3.54Å; D430-R432 PolarHBondContact OD2-NH1 2.04Å; D430-Y434 PolarHBondContact OD2-OH 3.4Å |
| 431 | Q | 90.9 | Very high | 95.6 | Very high | 177 Ų | 177 | 35.9 Ų | 35.9 | 83% | 0.827 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 63.1 | 6.6 | -177.6 | -52.6 | 178.9 | 7.8 | 0 | 0 | 114.7 | G428 L429 | G428-Q431 WeakPolarHBondContact O-CA 3.43Å; G428-Q431 PolarHBondContact O-N 3.32Å; L429-Q431 PolarHBondContact O-N 3.25Å |
| 432 | R | 92.6 | Very high | 95.5 | Very high | 135 Ų | 135 | 37 Ų | 37 | 51% | 0.509 | 20% | 0.197 | S | C | . | . | trans | -82.9 | 142.7 | 175.5 | -60 | -172.9 | -174.9 | 128.7 | -12.5 | 110.6 | S427 G428 D430 Y434 | S427-R432 WeakPolarHBondContact CA-O 3.3Å; G428-R432 PolarHBondContact N-O 3.21Å; D430-R432 PolarHBondContact O-N 3.03Å; D430-R432 VanDerWaalsContact O-N 3.13Å; D430-R432 WeakPolarHBondContact OD1-CB 3.28Å; D430-R432 PolarHBondContact OD1-N 2.93Å; D430-R432 VanDerWaalsContact OD1-N 3.14Å; D430-R432 WeakPolarHBondContact OD2-CD 3.04Å; D430-R432 WeakPolarHBondContact OD2-CG 3.37Å; D430-R432 IonicContact OD2-CZ 3.81Å; D430-R432 IonicContact OD2-NE 2.77Å; D430-R432 IonicContact OD2-NH1 3.54Å; D430-R432 PolarHBondContact OD2-NH1 2.04Å; R432-Y434 HydrophobicContact CB-CD2 4.43Å; R432-Y434 HydrophobicContact CB-CE2 3.69Å; R432-Y434 VanDerWaalsContact O-CD2 3.31Å; R432-Y434 WeakPolarHBondContact O-CD2 3.49Å; R432-Y434 WeakPolarHBondContact O-CE2 3.46Å | ||
| 433 | A | 93.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 54% | 0.537 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R425 | R425-A433 HydrophobicContact CG-CB 4.17Å |
| 434 | Y | 95.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.2 | 173.9 | -62.2 | -94.8 | 0 | 0 | 0 | 109.8 | R425 V426 D430 R432 L450 L452 L542 M543 | R425-Y434 WeakPolarHBondContact CA-O 3.26Å; V426-Y434 PolarHBondContact N-O 2.68Å; V426-Y434 PolarHBondContact O-N 3.47Å; D430-Y434 PolarHBondContact OD2-OH 3.4Å; R432-Y434 HydrophobicContact CB-CD2 4.43Å; R432-Y434 HydrophobicContact CB-CE2 3.69Å; R432-Y434 VanDerWaalsContact O-CD2 3.31Å; R432-Y434 WeakPolarHBondContact O-CD2 3.49Å; R432-Y434 WeakPolarHBondContact O-CE2 3.46Å; Y434-L450 HydrophobicContact CD1-CD1 4.41Å; Y434-L450 HydrophobicContact CG-CD1 4.32Å; Y434-L452 HydrophobicContact CD1-CD2 4.39Å; Y434-L452 HydrophobicContact CE1-CD2 4.1Å; Y434-L542 HydrophobicContact CD2-CD1 3.7Å; Y434-L542 HydrophobicContact CE1-CB 4.4Å; Y434-L542 HydrophobicContact CE1-CD1 4.43Å; Y434-L542 HydrophobicContact CE2-CD1 3.46Å; Y434-L542 VanDerWaalsContact CE2-CD1 3.46Å; Y434-L542 HydrophobicContact CG-CD1 4.31Å; Y434-M543 HydrophobicContact CE1-SD 4.19Å |
| 435 | N | 96.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.1 | 173.6 | -64.8 | -13.8 | 0 | 0 | 0 | 108.9 | Y315 V423 D424 R425 I451 | Y315-N435 PolarHBondContact OH-ND2 3.07Å; V423-N435 HydrophobicContact CG1-CB 4.22Å; D424-N435 WeakPolarHBondContact O-CA 3.45Å; R425-N435 PolarHBondContact NE-OD1 3.33Å; N435-I451 PolarHBondContact O-N 3.07Å; N435-I451 VanDerWaalsContact O-N 3.08Å |
| 436 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.5 | -176 | -179.4 | 68.3 | -178.3 | 0 | 0 | 109.7 | V423 D424 V426 F438 R448 L450 I459 P514 Y515 | V423-M436 VanDerWaalsContact CA-O 3.31Å; V423-M436 WeakPolarHBondContact CA-O 3.42Å; D424-M436 PolarHBondContact N-O 2.62Å; D424-M436 PolarHBondContact O-N 3.28Å; V426-M436 HydrophobicContact CG1-CB 4.11Å; M436-F438 HydrophobicContact CB-CE2 4.37Å; M436-F438 HydrophobicContact CE-CE1 4.46Å; M436-F438 HydrophobicContact CE-CZ 4.42Å; M436-F438 HydrophobicContact CG-CD2 4.48Å; M436-F438 HydrophobicContact CG-CE2 3.74Å; M436-F438 HydrophobicContact CG-CZ 3.85Å; M436-R448 HydrophobicContact CE-CB 3.58Å; M436-R448 HydrophobicContact CE-CG 4.22Å; M436-L450 HydrophobicContact SD-CB 4.26Å; M436-L450 HydrophobicContact SD-CD1 4.3Å; M436-I459 HydrophobicContact CE-CD1 3.85Å; M436-I459 HydrophobicContact SD-CD1 4.03Å; M436-P514 HydrophobicContact SD-CG 4.26Å; M436-Y515 HydrophobicContact CG-CE2 3.89Å |
| 437 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.9 | -178.4 | -75.5 | 60.2 | 0 | 0 | 0 | 110.5 | Y315 V330 L421 V423 I439 V449 I451 | Y315-L437 HydrophobicContact CE1-CD1 4.45Å; V330-L437 HydrophobicContact CG1-CD2 3.9Å; L421-L437 HydrophobicContact CD1-CB 4.09Å; L421-L437 HydrophobicContact CD1-CD2 4.24Å; L421-L437 HydrophobicContact CD1-CG 4.03Å; V423-L437 HydrophobicContact CG1-CD1 4.11Å; V423-L437 HydrophobicContact CG2-CD1 4.37Å; V423-L437 HydrophobicContact CG2-CG 4.09Å; L437-I439 HydrophobicContact CB-CD1 4.33Å; L437-I439 HydrophobicContact CB-CG1 4.18Å; L437-I439 HydrophobicContact CD2-CD1 4.38Å; L437-V449 HydrophobicContact CB-CB 4.26Å; L437-V449 PolarHBondContact N-O 3.38Å; L437-V449 PolarHBondContact O-N 2.99Å; L437-I451 HydrophobicContact CD1-CD1 3.99Å; L437-I451 HydrophobicContact CD1-CG1 3.53Å; L437-I451 HydrophobicContact CD2-CD1 4.26Å |
| 438 | F | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.2 | 173 | -63.2 | -89.5 | 0 | 0 | 0 | 107.6 | L421 A422 D424 M436 L446 R448 L474 I476 L483 L496 Y515 | L421-F438 WeakPolarHBondContact CA-O 3.06Å; A422-F438 HydrophobicContact CB-CB 4.36Å; A422-F438 PolarHBondContact N-O 3.13Å; A422-F438 PolarHBondContact O-N 3.38Å; D424-F438 HydrophobicContact CB-CE2 4.31Å; M436-F438 HydrophobicContact CB-CE2 4.37Å; M436-F438 HydrophobicContact CE-CE1 4.46Å; M436-F438 HydrophobicContact CE-CZ 4.42Å; M436-F438 HydrophobicContact CG-CD2 4.48Å; M436-F438 HydrophobicContact CG-CE2 3.74Å; M436-F438 HydrophobicContact CG-CZ 3.85Å; F438-L446 HydrophobicContact CB-CD1 4.22Å; F438-R448 HydrophobicContact CD1-CG 4Å; F438-R448 HydrophobicContact CE1-CG 4.06Å; F438-L474 WeakPolarHBondContact O-CD2 3.42Å; F438-I476 HydrophobicContact CD2-CD1 4.39Å; F438-I476 HydrophobicContact CE2-CD1 4.16Å; F438-L483 HydrophobicContact CB-CD1 4.21Å; F438-L483 HydrophobicContact CB-CD2 3.94Å; F438-L483 HydrophobicContact CD1-CD2 3.75Å; F438-L483 HydrophobicContact CG-CD1 4.36Å; F438-L483 HydrophobicContact CG-CD2 4.04Å; F438-L496 HydrophobicContact CE1-CB 4.45Å; F438-L496 HydrophobicContact CE1-CD2 4.12Å; F438-L496 HydrophobicContact CE2-CD2 4.2Å; F438-L496 HydrophobicContact CZ-CB 3.97Å; F438-L496 HydrophobicContact CZ-CD1 4.39Å; F438-L496 HydrophobicContact CZ-CD2 3.78Å; F438-L496 HydrophobicContact CZ-CG 4.23Å; F438-Y515 HydrophobicContact CZ-CE2 4.04Å |
| 439 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.8 | -166.5 | -52.3 | 177.5 | 0 | 0 | 0 | 110.1 | I317 V330 L411 F418 L421 L437 L446 Q447 V449 | I317-I439 HydrophobicContact CD1-CG2 4.25Å; V330-I439 HydrophobicContact CG2-CD1 4.08Å; L411-I439 HydrophobicContact CD2-CD1 3.41Å; L411-I439 VanDerWaalsContact CD2-CD1 3.41Å; F418-I439 HydrophobicContact CB-CG2 3.81Å; F418-I439 HydrophobicContact CD1-CG2 3.56Å; F418-I439 HydrophobicContact CD2-CG2 3.81Å; F418-I439 HydrophobicContact CE1-CG2 3.96Å; F418-I439 HydrophobicContact CE2-CD1 4.34Å; F418-I439 HydrophobicContact CE2-CG2 4.22Å; F418-I439 HydrophobicContact CG-CG2 3.47Å; F418-I439 VanDerWaalsContact CG-CG2 3.47Å; F418-I439 HydrophobicContact CZ-CG2 4.27Å; L421-I439 HydrophobicContact CD1-CG1 3.83Å; L437-I439 HydrophobicContact CB-CD1 4.33Å; L437-I439 HydrophobicContact CB-CG1 4.18Å; L437-I439 HydrophobicContact CD2-CD1 4.38Å; I439-L446 CarbonylContact O-C 3.38Å; I439-L446 WeakPolarHBondContact O-CA 3.49Å; I439-Q447 HydrophobicContact CB-CB 4.39Å; I439-Q447 PolarHBondContact N-O 2.85Å; I439-Q447 PolarHBondContact O-N 2.81Å; I439-V449 HydrophobicContact CD1-CG2 3.98Å |
| 440 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 147.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F418 T419 K420 W445 | F418-G440 CarbonylContact C-O 3.55Å; F418-G440 WeakPolarHBondContact CA-O 3.24Å; T419-G440 PolarHBondContact N-O 2.68Å; T419-G440 PolarHBondContact OG1-O 3.48Å; K420-G440 PolarHBondContact O-N 2.88Å; G440-W445 CarbonylContact C-O 3.57Å; G440-W445 WeakPolarHBondContact CA-O 3.23Å |
| 441 | T | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 161.6 | 178.1 | 80 | 0 | 0 | 0 | 0 | 113.5 | V416 N417 F418 Q443 G444 W445 V471 | V416-T441 HydrophobicContact CG1-CG2 3.72Å; N417-T441 CarbonylContact O-C 3.43Å; N417-T441 WeakPolarHBondContact O-CA 3.04Å; F418-T441 HydrophobicContact CD1-CG2 4.14Å; F418-T441 HydrophobicContact CE1-CG2 4.49Å; T441-Q443 PolarHBondContact O-N 2.84Å; T441-Q443 PolarHBondContact OG1-N 3.11Å; T441-G444 PolarHBondContact O-N 2.89Å; T441-G444 PolarHBondContact OG1-N 2.79Å; T441-W445 HydrophobicContact CG2-CB 3.98Å; T441-W445 PolarHBondContact N-O 2.82Å; T441-W445 WeakPolarHBondContact OG1-CB 3.49Å; T441-W445 PolarHBondContact OG1-N 3.32Å; T441-V471 PolarHBondContact O-N 2.93Å |
| 442 | A | 96.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 29% | 0.289 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N417 T419 Q469 P470 | N417-A442 HydrophobicContact CB-CB 4.11Å; N417-A442 PolarHBondContact O-N 3.03Å; T419-A442 HydrophobicContact CG2-CB 3.83Å; A442-Q469 CarbonylContact O-C 3.48Å; A442-P470 WeakPolarHBondContact O-CA 3.46Å |
| 443 | Q | 96.6 | Very high | 96.2 | Very high | 78 Ų | 78 | 19 Ų | 19 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0 | -179.2 | -66.2 | 78.1 | 14.1 | 0 | 0 | 113.4 | T441 Q469 | T441-Q443 PolarHBondContact O-N 2.84Å; T441-Q443 PolarHBondContact OG1-N 3.11Å; Q443-Q469 CarbonylContact C-O 3.56Å |
| 444 | G | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 92.7 | 30.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | T441 L464 Q469 | T441-G444 PolarHBondContact O-N 2.89Å; T441-G444 PolarHBondContact OG1-N 2.79Å; G444-L464 VanDerWaalsContact O-CB 3.29Å; G444-L464 WeakPolarHBondContact O-CB 3.33Å; G444-L464 PolarHBondContact O-N 2.91Å; G444-Q469 WeakPolarHBondContact CA-O 3.13Å; G444-Q469 PolarHBondContact N-O 3.46Å |
| 445 | W | 97.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 23.2 Ų | 23.2 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 154.1 | 176.7 | -61.6 | 71.9 | 0 | 0 | 0 | 111 | T30 G440 T441 E461 I462 Q463 | T30-W445 HydrophobicContact CG2-CH2 4.24Å; T30-W445 HydrophobicContact CG2-CZ3 3.88Å; G440-W445 CarbonylContact C-O 3.57Å; G440-W445 WeakPolarHBondContact CA-O 3.23Å; T441-W445 HydrophobicContact CG2-CB 3.98Å; T441-W445 PolarHBondContact N-O 2.82Å; T441-W445 WeakPolarHBondContact OG1-CB 3.49Å; T441-W445 PolarHBondContact OG1-N 3.32Å; W445-E461 HydrophobicContact CE3-CB 4.3Å; W445-E461 HydrophobicContact CE3-CG 4.02Å; W445-E461 HydrophobicContact CZ3-CG 4.07Å; W445-I462 CarbonylContact C-O 3.6Å; W445-I462 VanDerWaalsContact CA-O 3.31Å; W445-I462 WeakPolarHBondContact CA-O 3.49Å; W445-Q463 HydrophobicContact CD2-CB 4.17Å; W445-Q463 HydrophobicContact CD2-CG 4.49Å; W445-Q463 HydrophobicContact CE3-CB 3.92Å; W445-Q463 HydrophobicContact CH2-CB 3.71Å; W445-Q463 HydrophobicContact CH2-CG 4.19Å; W445-Q463 HydrophobicContact CZ2-CB 3.96Å; W445-Q463 HydrophobicContact CZ2-CG 3.94Å; W445-Q463 HydrophobicContact CZ3-CB 3.69Å |
| 446 | L | 98.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123 | 167.5 | 179.5 | 75.2 | 0 | 0 | 0 | 109.4 | F438 I439 R448 E461 I462 L464 L483 I485 L494 | F438-L446 HydrophobicContact CB-CD1 4.22Å; I439-L446 CarbonylContact O-C 3.38Å; I439-L446 WeakPolarHBondContact O-CA 3.49Å; L446-R448 HydrophobicContact CD2-CG 4.48Å; L446-E461 CarbonylContact O-C 3.49Å; L446-E461 WeakPolarHBondContact O-CA 3.42Å; L446-I462 PolarHBondContact N-O 2.76Å; L446-I462 PolarHBondContact O-N 3.18Å; L446-L464 HydrophobicContact CB-CD1 4.15Å; L446-L464 HydrophobicContact CB-CD2 3.9Å; L446-L464 HydrophobicContact CB-CG 4.16Å; L446-L483 HydrophobicContact CD1-CD2 3.91Å; L446-L483 HydrophobicContact CD2-CD2 3.58Å; L446-L483 HydrophobicContact CG-CD2 4.42Å; L446-I485 HydrophobicContact CD2-CD1 4.23Å; L446-L494 HydrophobicContact CD2-CD2 3.83Å |
| 447 | Q | 97.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.8 | 167.8 | -67.3 | -170.9 | -18.7 | 0 | 0 | 110.8 | I439 V449 V458 E461 | I439-Q447 HydrophobicContact CB-CB 4.39Å; I439-Q447 PolarHBondContact N-O 2.85Å; I439-Q447 PolarHBondContact O-N 2.81Å; Q447-V449 HydrophobicContact CB-CG2 4.1Å; Q447-V458 HydrophobicContact CB-CG1 4.38Å; Q447-E461 HydrophobicContact CG-CB 3.99Å |
| 448 | R | 97.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113 | 175.7 | -75.5 | -176.9 | 72.5 | -115.9 | -9.7 | 108.6 | M436 F438 L446 I459 E460 L496 D513 | M436-R448 HydrophobicContact CE-CB 3.58Å; M436-R448 HydrophobicContact CE-CG 4.22Å; F438-R448 HydrophobicContact CD1-CG 4Å; F438-R448 HydrophobicContact CE1-CG 4.06Å; L446-R448 HydrophobicContact CD2-CG 4.48Å; R448-I459 PolarHBondContact O-N 2.78Å; R448-E460 HydrophobicContact CB-CG 4.08Å; R448-E460 VanDerWaalsContact CD-OE1 3.29Å; R448-E460 WeakPolarHBondContact CD-OE1 3.36Å; R448-E460 HydrophobicContact CG-CG 4.36Å; R448-E460 IonicContact CZ-OE1 2.7Å; R448-E460 PolarHBondContact N-O 3.38Å; R448-E460 IonicContact NE-OE1 3.54Å; R448-E460 IonicContact NH1-OE1 2.85Å; R448-E460 PolarHBondContact NH1-OE1 3.04Å; R448-L496 PolarHBondContact NE-O 3.16Å; R448-L496 PolarHBondContact NH2-O 3.41Å; R448-D513 IonicContact CZ-OD2 3.89Å; R448-D513 IonicContact NH1-OD2 3.33Å; R448-D513 PolarHBondContact NH1-OD2 3.17Å; R448-D513 IonicContact NH2-OD1 2.68Å; R448-D513 PolarHBondContact NH2-OD1 2.68Å; R448-D513 IonicContact NH2-OD2 3.73Å; R448-D513 PolarHBondContact NH2-OD2 2.71Å |
| 449 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.2 | -166.3 | -167.7 | 0 | 0 | 0 | 0 | 112 | L411 L437 I439 Q447 A456 H457 V458 | L411-V449 HydrophobicContact CD2-CG1 4.42Å; L411-V449 HydrophobicContact CD2-CG2 4.16Å; L437-V449 HydrophobicContact CB-CB 4.26Å; L437-V449 PolarHBondContact N-O 3.38Å; L437-V449 PolarHBondContact O-N 2.99Å; I439-V449 HydrophobicContact CD1-CG2 3.98Å; Q447-V449 HydrophobicContact CB-CG2 4.1Å; V449-A456 HydrophobicContact CG1-CB 3.9Å; V449-H457 CarbonylContact C-O 3.53Å; V449-H457 WeakPolarHBondContact CA-O 3.44Å; V449-V458 HydrophobicContact CG1-CG2 4.08Å; V449-V458 HydrophobicContact CG2-CB 4.41Å; V449-V458 HydrophobicContact CG2-CG1 4.17Å; V449-V458 HydrophobicContact CG2-CG2 3.99Å |
| 450 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.5 | 175.9 | -173.9 | 65.2 | 0 | 0 | 0 | 111.1 | Y434 M436 L452 A456 H457 I459 R512 P514 L542 | Y434-L450 HydrophobicContact CD1-CD1 4.41Å; Y434-L450 HydrophobicContact CG-CD1 4.32Å; M436-L450 HydrophobicContact SD-CB 4.26Å; M436-L450 HydrophobicContact SD-CD1 4.3Å; L450-L452 HydrophobicContact CD2-CD1 4.21Å; L450-L452 HydrophobicContact CD2-CD2 3.82Å; L450-L452 HydrophobicContact CD2-CG 4.01Å; L450-L452 HydrophobicContact CG-CD1 4.4Å; L450-L452 HydrophobicContact CG-CD2 4.36Å; L450-L452 HydrophobicContact CG-CG 4.08Å; L450-A456 WeakPolarHBondContact O-CA 3.37Å; L450-H457 PolarHBondContact N-O 2.86Å; L450-H457 PolarHBondContact O-N 3.48Å; L450-I459 HydrophobicContact CB-CD1 3.91Å; L450-R512 VanDerWaalsContact CD2-O 3.26Å; L450-R512 WeakPolarHBondContact CD2-O 3.28Å; L450-P514 HydrophobicContact CD1-CB 4.31Å; L450-P514 HydrophobicContact CD1-CG 3.88Å; L450-L542 HydrophobicContact CD2-CD2 4.47Å |
| 451 | I | 95.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 25.3 Ų | 25.3 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.9 | 171.4 | -51.9 | -54.6 | 0 | 0 | 0 | 110.4 | L410 N435 L437 A456 | L410-I451 HydrophobicContact CB-CD1 4.15Å; L410-I451 HydrophobicContact CD1-CD1 4.07Å; L410-I451 HydrophobicContact CD1-CG1 4.31Å; L410-I451 HydrophobicContact CD1-CG2 4.49Å; N435-I451 PolarHBondContact O-N 3.07Å; N435-I451 VanDerWaalsContact O-N 3.08Å; L437-I451 HydrophobicContact CD1-CD1 3.99Å; L437-I451 HydrophobicContact CD1-CG1 3.53Å; L437-I451 HydrophobicContact CD2-CD1 4.26Å; I451-A456 HydrophobicContact CD1-CB 3.93Å |
| 452 | L | 90.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 71.2 | -172.5 | -68.9 | 147.7 | 0 | 0 | 0 | 108.5 | Y434 L450 S454 E455 H457 R512 L542 M543 | Y434-L452 HydrophobicContact CD1-CD2 4.39Å; Y434-L452 HydrophobicContact CE1-CD2 4.1Å; L450-L452 HydrophobicContact CD2-CD1 4.21Å; L450-L452 HydrophobicContact CD2-CD2 3.82Å; L450-L452 HydrophobicContact CD2-CG 4.01Å; L450-L452 HydrophobicContact CG-CD1 4.4Å; L450-L452 HydrophobicContact CG-CD2 4.36Å; L450-L452 HydrophobicContact CG-CG 4.08Å; L452-S454 PolarHBondContact O-N 2.84Å; L452-S454 VanDerWaalsContact O-N 3.09Å; L452-E455 HydrophobicContact CB-CB 4.28Å; L452-E455 PolarHBondContact N-O 2.81Å; L452-E455 PolarHBondContact O-N 3.42Å; L452-H457 HydrophobicContact CD1-CB 3.47Å; L452-H457 VanDerWaalsContact CD1-CB 3.47Å; L452-R512 VanDerWaalsContact CD1-CZ 3.48Å; L452-L542 WeakPolarHBondContact CD2-O 3.39Å; L452-M543 HydrophobicContact CD2-SD 3.63Å |
| 453 | G | 84.3 | Confident | 94.3 | Very high | 68 Ų | 68 | 25.7 Ų | 25.7 | 70% | 0.701 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | -102.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 454 | S | 77.4 | Confident | 94.4 | Very high | 78 Ų | 78 | 22 Ų | 22 | 55% | 0.545 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -6.1 | 176.1 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | L452 | L452-S454 PolarHBondContact O-N 2.84Å; L452-S454 VanDerWaalsContact O-N 3.09Å |
| 455 | E | 83.8 | Confident | 94.3 | Very high | 93 Ų | 93 | 22 Ų | 22 | 44% | 0.435 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142.9 | 175.1 | -174.2 | -171.6 | 134.7 | 0 | 0 | 110.6 | L452 R512 | L452-E455 HydrophobicContact CB-CB 4.28Å; L452-E455 PolarHBondContact N-O 2.81Å; L452-E455 PolarHBondContact O-N 3.42Å; E455-R512 IonicContact OE1-NH1 3.73Å; E455-R512 PolarHBondContact OE1-NH1 2.89Å |
| 456 | A | 92.6 | Very high | 94 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L410 L411 V449 L450 I451 | L410-A456 WeakPolarHBondContact O-CB 3.21Å; L411-A456 HydrophobicContact CB-CB 4.3Å; L411-A456 HydrophobicContact CD1-CB 4.42Å; V449-A456 HydrophobicContact CG1-CB 3.9Å; L450-A456 WeakPolarHBondContact O-CA 3.37Å; I451-A456 HydrophobicContact CD1-CB 3.93Å |
| 457 | H | 94.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.3 | 176.3 | 178.3 | 65.9 | 0 | 0 | 0 | 110.1 | V449 L450 L452 I459 | V449-H457 CarbonylContact C-O 3.53Å; V449-H457 WeakPolarHBondContact CA-O 3.44Å; L450-H457 PolarHBondContact N-O 2.86Å; L450-H457 PolarHBondContact O-N 3.48Å; L452-H457 HydrophobicContact CD1-CB 3.47Å; L452-H457 VanDerWaalsContact CD1-CB 3.47Å; H457-I459 PolarHBondContact O-N 3.07Å |
| 458 | V | 96.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 102.7 | 176 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | P25 P27 R28 L411 Q447 V449 | P25-V458 HydrophobicContact CB-CG2 4.35Å; P25-V458 HydrophobicContact CG-CG2 3.97Å; P27-V458 HydrophobicContact CB-CB 4.44Å; P27-V458 HydrophobicContact CB-CG1 3.71Å; P27-V458 HydrophobicContact CG-CG1 3.84Å; R28-V458 PolarHBondContact N-O 3.11Å; L411-V458 HydrophobicContact CD1-CG2 4.11Å; Q447-V458 HydrophobicContact CB-CG1 4.38Å; V449-V458 HydrophobicContact CG1-CG2 4.08Å; V449-V458 HydrophobicContact CG2-CB 4.41Å; V449-V458 HydrophobicContact CG2-CG1 4.17Å; V449-V458 HydrophobicContact CG2-CG2 3.99Å |
| 459 | I | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -48.5 | -175.3 | -66.6 | 163 | 0 | 0 | 0 | 110.2 | R28 K29 M436 R448 L450 H457 Y502 D513 | R28-I459 WeakPolarHBondContact CB-O 3.42Å; K29-I459 PolarHBondContact N-O 2.78Å; M436-I459 HydrophobicContact CE-CD1 3.85Å; M436-I459 HydrophobicContact SD-CD1 4.03Å; R448-I459 PolarHBondContact O-N 2.78Å; L450-I459 HydrophobicContact CB-CD1 3.91Å; H457-I459 PolarHBondContact O-N 3.07Å; I459-Y502 WeakPolarHBondContact CG2-OH 3.2Å; I459-D513 HydrophobicContact CD1-CB 4.32Å; I459-D513 HydrophobicContact CG2-CB 4.32Å |
| 460 | E | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.9 | 174.6 | 61 | -175.2 | 169.7 | 0 | 0 | 112.1 | K29 R448 I462 R501 | K29-E460 HydrophobicContact CB-CB 4.31Å; K29-E460 CarbonylContact O-C 3.59Å; K29-E460 WeakPolarHBondContact O-CA 3.36Å; K29-E460 WeakPolarHBondContact O-CB 3.43Å; R448-E460 HydrophobicContact CB-CG 4.08Å; R448-E460 VanDerWaalsContact CD-OE1 3.29Å; R448-E460 WeakPolarHBondContact CD-OE1 3.36Å; R448-E460 HydrophobicContact CG-CG 4.36Å; R448-E460 IonicContact CZ-OE1 2.7Å; R448-E460 PolarHBondContact N-O 3.38Å; R448-E460 IonicContact NE-OE1 3.54Å; R448-E460 IonicContact NH1-OE1 2.85Å; R448-E460 PolarHBondContact NH1-OE1 3.04Å; E460-I462 HydrophobicContact CG-CD1 4.38Å; E460-I462 HydrophobicContact CG-CG1 4.19Å; E460-R501 IonicContact OE1-NH1 2.68Å; E460-R501 PolarHBondContact OE1-NH1 3.33Å; E460-R501 VanDerWaalsContact OE1-NH1 3.12Å; E460-R501 IonicContact OE2-CZ 3.58Å; E460-R501 IonicContact OE2-NH1 3.38Å; E460-R501 PolarHBondContact OE2-NH1 2.85Å |
| 461 | E | 96.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 35.6 Ų | 35.6 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.2 | 160.7 | 70.4 | -171 | 161 | 0 | 0 | 109.5 | P27 K29 T30 V31 W445 L446 Q447 | P27-E461 HydrophobicContact CB-CB 4.03Å; P27-E461 HydrophobicContact CB-CG 3.94Å; P27-E461 HydrophobicContact CG-CB 4.07Å; P27-E461 HydrophobicContact CG-CG 4.05Å; K29-E461 PolarHBondContact O-N 3.43Å; T30-E461 WeakPolarHBondContact CB-OE1 3.46Å; T30-E461 HydrophobicContact CG2-CG 3.87Å; T30-E461 VanDerWaalsContact CG2-OE1 3.29Å; T30-E461 WeakPolarHBondContact CG2-OE1 3.38Å; T30-E461 PolarHBondContact OG1-OE1 2.79Å; V31-E461 PolarHBondContact N-O 2.86Å; W445-E461 HydrophobicContact CE3-CB 4.3Å; W445-E461 HydrophobicContact CE3-CG 4.02Å; W445-E461 HydrophobicContact CZ3-CG 4.07Å; L446-E461 CarbonylContact O-C 3.49Å; L446-E461 WeakPolarHBondContact O-CA 3.42Å; Q447-E461 HydrophobicContact CG-CB 3.99Å |
| 462 | I | 97.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.3 | -176.2 | -51.9 | 175.2 | 0 | 0 | 0 | 108.7 | V31 M40 W445 L446 E460 L464 L494 | V31-I462 HydrophobicContact CB-CG1 4.34Å; V31-I462 HydrophobicContact CB-CG2 4.39Å; V31-I462 HydrophobicContact CG1-CG2 4.38Å; M40-I462 HydrophobicContact SD-CG2 4.43Å; W445-I462 CarbonylContact C-O 3.6Å; W445-I462 VanDerWaalsContact CA-O 3.31Å; W445-I462 WeakPolarHBondContact CA-O 3.49Å; L446-I462 PolarHBondContact N-O 2.76Å; L446-I462 PolarHBondContact O-N 3.18Å; E460-I462 HydrophobicContact CG-CD1 4.38Å; E460-I462 HydrophobicContact CG-CG1 4.19Å; I462-L464 HydrophobicContact CG2-CD2 4.48Å; I462-L464 PolarHBondContact O-N 2.93Å; I462-L494 HydrophobicContact CD1-CD2 4.5Å |
| 463 | Q | 97.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 115.9 | 169.6 | -170.6 | -174.4 | -5.2 | 0 | 0 | 109.3 | V31 W445 F465 | V31-Q463 PolarHBondContact O-N 3.27Å; W445-Q463 HydrophobicContact CD2-CB 4.17Å; W445-Q463 HydrophobicContact CD2-CG 4.49Å; W445-Q463 HydrophobicContact CE3-CB 3.92Å; W445-Q463 HydrophobicContact CH2-CB 3.71Å; W445-Q463 HydrophobicContact CH2-CG 4.19Å; W445-Q463 HydrophobicContact CZ2-CB 3.96Å; W445-Q463 HydrophobicContact CZ2-CG 3.94Å; W445-Q463 HydrophobicContact CZ3-CB 3.69Å; Q463-F465 WeakPolarHBondContact CG-O 3.42Å; Q463-F465 PolarHBondContact NE2-O 2.87Å |
| 464 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -83.5 | -35.2 | -174.3 | -61.7 | 178.6 | 0 | 0 | 0 | 112.7 | M40 R42 G444 L446 I462 V471 I485 L492 L494 | M40-L464 HydrophobicContact SD-CD2 4.14Å; R42-L464 PolarHBondContact NH1-O 2.94Å; R42-L464 PolarHBondContact NH2-O 3.3Å; G444-L464 VanDerWaalsContact O-CB 3.29Å; G444-L464 WeakPolarHBondContact O-CB 3.33Å; G444-L464 PolarHBondContact O-N 2.91Å; L446-L464 HydrophobicContact CB-CD1 4.15Å; L446-L464 HydrophobicContact CB-CD2 3.9Å; L446-L464 HydrophobicContact CB-CG 4.16Å; I462-L464 HydrophobicContact CG2-CD2 4.48Å; I462-L464 PolarHBondContact O-N 2.93Å; L464-V471 HydrophobicContact CD1-CG2 3.58Å; L464-I485 HydrophobicContact CD1-CD1 3.73Å; L464-I485 HydrophobicContact CD1-CG2 4.02Å; L464-I485 HydrophobicContact CD2-CD1 3.75Å; L464-I485 HydrophobicContact CG-CD1 4.41Å; L464-L492 HydrophobicContact CB-CD1 3.67Å; L464-L492 HydrophobicContact CD1-CD1 4.45Å; L464-L492 HydrophobicContact CD2-CD1 4.07Å; L464-L492 HydrophobicContact CG-CD1 4.29Å; L464-L494 HydrophobicContact CD2-CD1 4.37Å; L464-L494 HydrophobicContact CD2-CD2 3.75Å | ||
| 465 | F | 95.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -128.8 | 142.7 | -170.9 | -46.9 | -68.5 | 0 | 0 | 0 | 110.6 | Y33 Q463 S467 Q469 V471 S487 E490 L492 | Y33-F465 VanDerWaalsContact CD2-C 3.41Å; Q463-F465 WeakPolarHBondContact CG-O 3.42Å; Q463-F465 PolarHBondContact NE2-O 2.87Å; F465-S467 VanDerWaalsContact CB-O 3.28Å; F465-S467 WeakPolarHBondContact CB-O 3.46Å; F465-Q469 HydrophobicContact CB-CG 4.19Å; F465-Q469 HydrophobicContact CD1-CG 4.47Å; F465-Q469 HydrophobicContact CD2-CG 3.47Å; F465-Q469 VanDerWaalsContact CD2-CG 3.47Å; F465-Q469 HydrophobicContact CE2-CG 3.95Å; F465-Q469 HydrophobicContact CG-CG 3.79Å; F465-Q469 VanDerWaalsContact CG-NE2 3.25Å; F465-V471 HydrophobicContact CE2-CG2 4.45Å; F465-S487 WeakPolarHBondContact CE1-OG 3.47Å; F465-S487 VanDerWaalsContact CZ-CB 3.42Å; F465-E490 HydrophobicContact CD1-CG 4.28Å; F465-E490 WeakPolarHBondContact CD1-OE1 3.33Å; F465-E490 HydrophobicContact CE1-CG 3.79Å; F465-L492 HydrophobicContact CD1-CD1 4.23Å; F465-L492 HydrophobicContact CE1-CD1 3.54Å; F465-L492 HydrophobicContact CE1-CD2 4.14Å; F465-L492 HydrophobicContact CE1-CG 3.85Å; F465-L492 HydrophobicContact CZ-CD1 3.84Å; F465-L492 HydrophobicContact CZ-CG 4.32Å | ||
| 466 | D | 92 | Very high | 96.2 | Very high | 108 Ų | 108 | 28.7 Ų | 28.7 | 58% | 0.578 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -65.1 | -52.5 | 175.5 | -178.8 | 60.3 | 0 | 0 | 0 | 110.5 | Y33 | Y33-D466 HydrophobicContact CD1-CB 3.89Å; Y33-D466 HydrophobicContact CD2-CB 4.11Å; Y33-D466 HydrophobicContact CE1-CB 3.87Å; Y33-D466 HydrophobicContact CE2-CB 4.03Å; Y33-D466 HydrophobicContact CG-CB 4.03Å |
| 467 | S | 94.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 28.1 Ų | 28.1 | 61% | 0.608 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -83.4 | 129.4 | 168.4 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | F465 Q469 | F465-S467 VanDerWaalsContact CB-O 3.28Å; F465-S467 WeakPolarHBondContact CB-O 3.46Å; S467-Q469 PolarHBondContact O-N 3.34Å |
| 468 | A | 96 | Very high | 96.2 | Very high | 86 Ų | 86 | 30.8 Ų | 30.8 | 71% | 0.711 | 18% | 0.181 | S | C | * | . | trans | -63.5 | 124.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 469 | Q | 96.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 35 Ų | 35 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -155.1 | 154.4 | 178.9 | 63.5 | 178 | -38.8 | 0 | 0 | 110.1 | A442 Q443 G444 F465 S467 S487 S489 | A442-Q469 CarbonylContact O-C 3.48Å; Q443-Q469 CarbonylContact C-O 3.56Å; G444-Q469 WeakPolarHBondContact CA-O 3.13Å; G444-Q469 PolarHBondContact N-O 3.46Å; F465-Q469 HydrophobicContact CB-CG 4.19Å; F465-Q469 HydrophobicContact CD1-CG 4.47Å; F465-Q469 HydrophobicContact CD2-CG 3.47Å; F465-Q469 VanDerWaalsContact CD2-CG 3.47Å; F465-Q469 HydrophobicContact CE2-CG 3.95Å; F465-Q469 HydrophobicContact CG-CG 3.79Å; F465-Q469 VanDerWaalsContact CG-NE2 3.25Å; S467-Q469 PolarHBondContact O-N 3.34Å; Q469-S487 PolarHBondContact NE2-OG 3.12Å; Q469-S487 PolarHBondContact OE1-OG 3.38Å; Q469-S489 PolarHBondContact NE2-OG 2.9Å; Q469-S489 PolarHBondContact OE1-OG 2.78Å | ||
| 470 | P | 97.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | trans | -66.6 | 149.1 | -178.1 | 27.2 | -36 | 0 | 0 | 0 | 113.3 | A442 D472 | A442-P470 WeakPolarHBondContact O-CA 3.46Å; P470-D472 WeakPolarHBondContact CG-OD1 3.28Å; P470-D472 PolarHBondContact O-N 2.93Å | ||
| 471 | V | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -74.4 | 103.3 | 156.4 | 174.8 | 0 | 0 | 0 | 0 | 107.9 | T419 K420 T441 L464 F465 S473 I485 | T419-V471 WeakPolarHBondContact CB-O 3.46Å; T419-V471 PolarHBondContact OG1-O 3.08Å; K420-V471 HydrophobicContact CB-CG1 4.15Å; K420-V471 HydrophobicContact CG-CG1 4.22Å; K420-V471 WeakPolarHBondContact CG-O 3.44Å; T441-V471 PolarHBondContact O-N 2.93Å; L464-V471 HydrophobicContact CD1-CG2 3.58Å; F465-V471 HydrophobicContact CE2-CG2 4.45Å; V471-S473 WeakPolarHBondContact CG1-O 3.28Å; V471-I485 HydrophobicContact CB-CG2 4.36Å; V471-I485 HydrophobicContact CG1-CG2 3.54Å; V471-I485 HydrophobicContact CG2-CG2 4.02Å | ||
| 472 | D | 96.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 41 Ų | 41 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | trans | -82.5 | -33 | -177.6 | -75.5 | -26.4 | 0 | 0 | 0 | 111.7 | K420 P470 G486 R488 | K420-D472 WeakPolarHBondContact CE-O 3.41Å; P470-D472 WeakPolarHBondContact CG-OD1 3.28Å; P470-D472 PolarHBondContact O-N 2.93Å; D472-G486 PolarHBondContact N-O 2.85Å; D472-R488 PolarHBondContact OD2-N 3.04Å | ||
| 473 | S | 96.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.2 | 179.2 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | Y51 S52 L54 V471 G486 | Y51-S473 PolarHBondContact O-OG 3.29Å; Y51-S473 VanDerWaalsContact O-OG 3.13Å; S52-S473 WeakPolarHBondContact O-CB 3.43Å; L54-S473 WeakPolarHBondContact CD1-OG 3.41Å; L54-S473 WeakPolarHBondContact CG-OG 3.46Å; V471-S473 WeakPolarHBondContact CG1-O 3.28Å; S473-G486 PolarHBondContact N-O 3.16Å; S473-G486 PolarHBondContact O-N 3.41Å; S473-G486 WeakPolarHBondContact OG-CA 3.34Å; S473-G486 PolarHBondContact OG-N 3.05Å |
| 474 | L | 97.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 131.5 | -177.6 | -166.6 | 62 | 0 | 0 | 0 | 109.4 | K420 A422 F438 L483 Y484 I485 | K420-L474 HydrophobicContact CB-CB 3.77Å; K420-L474 HydrophobicContact CB-CD2 4.21Å; K420-L474 HydrophobicContact CG-CB 4.49Å; A422-L474 HydrophobicContact CB-CD2 4.06Å; A422-L474 HydrophobicContact CB-CG 4.12Å; F438-L474 WeakPolarHBondContact O-CD2 3.42Å; L474-L483 HydrophobicContact CD1-CD1 3.77Å; L474-L483 HydrophobicContact CD1-CD2 3.96Å; L474-L483 HydrophobicContact CD1-CG 3.79Å; L474-L483 HydrophobicContact CG-CD1 4.07Å; L474-Y484 WeakPolarHBondContact CA-O 3.02Å; L474-I485 HydrophobicContact CD1-CB 4.26Å; L474-I485 HydrophobicContact CD1-CD1 4.26Å; L474-I485 HydrophobicContact CD1-CG1 3.73Å; L474-I485 HydrophobicContact CD1-CG2 4.09Å |
| 475 | T | 96.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 39 Ų | 39 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137.1 | -178.6 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | L56 Y484 | L56-T475 HydrophobicContact CD1-CG2 3.85Å; L56-T475 HydrophobicContact CG-CG2 4Å; T475-Y484 PolarHBondContact N-O 3.27Å; T475-Y484 PolarHBondContact O-N 3.38Å |
| 476 | I | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.6 | -177 | 179.3 | 162.3 | 0 | 0 | 0 | 110.5 | L56 F302 A422 D424 F438 L483 L496 | L56-I476 WeakPolarHBondContact CD1-O 3.45Å; F302-I476 HydrophobicContact CE2-CG2 4.2Å; F302-I476 HydrophobicContact CZ-CG2 4.15Å; A422-I476 HydrophobicContact CB-CB 4.19Å; A422-I476 HydrophobicContact CB-CG2 4.03Å; D424-I476 HydrophobicContact CB-CD1 3.75Å; F438-I476 HydrophobicContact CD2-CD1 4.39Å; F438-I476 HydrophobicContact CE2-CD1 4.16Å; I476-L483 HydrophobicContact CB-CD1 4.12Å; I476-L496 HydrophobicContact CD1-CD1 3.82Å; I476-L496 HydrophobicContact CD1-CD2 3.92Å; I476-L496 HydrophobicContact CG1-CD1 4.37Å; I476-L496 HydrophobicContact CG1-CD2 4.17Å |
| 477 | S | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.8 | 163 | 159.5 | 0 | 0 | 0 | 0 | 108.5 | E60 S479 K480 K481 Y482 | E60-S477 VanDerWaalsContact CD-OG 3.31Å; E60-S477 WeakPolarHBondContact OE1-CA 3.02Å; E60-S477 WeakPolarHBondContact OE2-CB 3.14Å; E60-S477 PolarHBondContact OE2-OG 3.18Å; S477-S479 VanDerWaalsContact C-N 3.31Å; S477-K480 WeakPolarHBondContact OG-CB 3.49Å; S477-K480 WeakPolarHBondContact OG-CG 3.39Å; S477-K480 PolarHBondContact OG-N 3.23Å; S477-K481 WeakPolarHBondContact O-CA 3.41Å; S477-K481 PolarHBondContact O-N 3.03Å; S477-Y482 PolarHBondContact N-O 3.2Å |
| 478 | H | 91.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.1 | 179.6 | -64.7 | -87.9 | 0 | 0 | 0 | 111.5 | E60 V423 D424 K481 | E60-H478 PolarHBondContact OE1-N 2.77Å; V423-H478 PolarHBondContact O-CE1 2.86Å; D424-H478 IonicContact OD1-CE1 3.37Å; D424-H478 IonicContact OD1-CG 2.77Å; D424-H478 IonicContact OD1-ND1 3.77Å; D424-H478 PolarHBondContact OD1-ND1 2.99Å; H478-K481 WeakPolarHBondContact O-CD 3.37Å; H478-K481 WeakPolarHBondContact O-CE 3.37Å; H478-K481 PolarHBondContact O-NZ 2.75Å |
| 479 | S | 91.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 34.4 Ų | 34.4 | 64% | 0.636 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -40 | -177.3 | 85.5 | 0 | 0 | 0 | 0 | 113.7 | E60 S477 | E60-S479 WeakPolarHBondContact OE2-CB 3.1Å; E60-S479 PolarHBondContact OE2-N 3.27Å; E60-S479 PolarHBondContact OE2-OG 3.36Å; S477-S479 VanDerWaalsContact C-N 3.31Å |
| 480 | K | 91.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10 | 179 | -51 | 177.1 | 174.7 | -67.1 | 0 | 113.1 | E60 P76 N77 S477 Y482 | E60-K480 WeakPolarHBondContact O-CE 3.44Å; P76-K480 HydrophobicContact CB-CD 3.87Å; N77-K480 PolarHBondContact OD1-NZ 2.92Å; S477-K480 WeakPolarHBondContact OG-CB 3.49Å; S477-K480 WeakPolarHBondContact OG-CG 3.39Å; S477-K480 PolarHBondContact OG-N 3.23Å; K480-Y482 HydrophobicContact CB-CD2 3.75Å; K480-Y482 HydrophobicContact CB-CE2 4.33Å; K480-Y482 VanDerWaalsContact O-CD2 3.31Å; K480-Y482 WeakPolarHBondContact O-CD2 3.08Å; K480-Y482 PolarHBondContact O-N 3.25Å |
| 481 | K | 93.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 49.3 | -178.3 | -60.2 | -63.7 | -178.7 | -160.4 | 0 | 112.5 | D424 S477 H478 L496 R527 | D424-K481 IonicContact OD1-NZ 2.83Å; D424-K481 IonicContact OD2-NZ 3.55Å; D424-K481 PolarHBondContact OD2-NZ 2.85Å; S477-K481 WeakPolarHBondContact O-CA 3.41Å; S477-K481 PolarHBondContact O-N 3.03Å; H478-K481 WeakPolarHBondContact O-CD 3.37Å; H478-K481 WeakPolarHBondContact O-CE 3.37Å; H478-K481 PolarHBondContact O-NZ 2.75Å; K481-L496 HydrophobicContact CB-CD1 4.35Å; K481-L496 HydrophobicContact CB-CG 4.31Å; K481-L496 HydrophobicContact CD-CD1 3.69Å; K481-L496 PolarHBondContact O-N 3.48Å; K481-L496 VanDerWaalsContact O-N 3.09Å; K481-R527 VanDerWaalsContact CB-NH2 3.29Å |
| 482 | Y | 95.9 | Very high | 96.2 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154 | 169 | -70.8 | -74.9 | 0 | 0 | 0 | 112 | S477 K480 Q493 L494 P495 | S477-Y482 PolarHBondContact N-O 3.2Å; K480-Y482 HydrophobicContact CB-CD2 3.75Å; K480-Y482 HydrophobicContact CB-CE2 4.33Å; K480-Y482 VanDerWaalsContact O-CD2 3.31Å; K480-Y482 WeakPolarHBondContact O-CD2 3.08Å; K480-Y482 PolarHBondContact O-N 3.25Å; Y482-Q493 HydrophobicContact CD1-CG 3.6Å; Y482-Q493 HydrophobicContact CE1-CG 4.16Å; Y482-Q493 VanDerWaalsContact CE1-NE2 3.33Å; Y482-Q493 HydrophobicContact CG-CG 4.01Å; Y482-L494 CarbonylContact C-O 3.58Å; Y482-L494 VanDerWaalsContact CA-O 3.32Å; Y482-L494 WeakPolarHBondContact CA-O 3.5Å; Y482-P495 HydrophobicContact CE1-CB 4.41Å |
| 483 | L | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | 171.8 | -174.6 | 72.6 | 0 | 0 | 0 | 108.1 | A422 F438 L446 L474 I476 I485 L494 L496 | A422-L483 HydrophobicContact CB-CD1 4.04Å; F438-L483 HydrophobicContact CB-CD1 4.21Å; F438-L483 HydrophobicContact CB-CD2 3.94Å; F438-L483 HydrophobicContact CD1-CD2 3.75Å; F438-L483 HydrophobicContact CG-CD1 4.36Å; F438-L483 HydrophobicContact CG-CD2 4.04Å; L446-L483 HydrophobicContact CD1-CD2 3.91Å; L446-L483 HydrophobicContact CD2-CD2 3.58Å; L446-L483 HydrophobicContact CG-CD2 4.42Å; L474-L483 HydrophobicContact CD1-CD1 3.77Å; L474-L483 HydrophobicContact CD1-CD2 3.96Å; L474-L483 HydrophobicContact CD1-CG 3.79Å; L474-L483 HydrophobicContact CG-CD1 4.07Å; I476-L483 HydrophobicContact CB-CD1 4.12Å; L483-I485 HydrophobicContact CD2-CD1 4.21Å; L483-I485 HydrophobicContact CD2-CG1 4.43Å; L483-I485 HydrophobicContact CG-CG1 4.3Å; L483-L494 PolarHBondContact N-O 3.34Å; L483-L494 PolarHBondContact O-N 3.07Å; L483-L496 HydrophobicContact CB-CD2 3.82Å |
| 484 | Y | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.2 | 176.8 | -46.3 | -79.8 | 0 | 0 | 0 | 109.3 | L56 L63 P76 I79 L474 T475 L492 Q493 | L56-Y484 HydrophobicContact CD1-CD2 4.45Å; L56-Y484 HydrophobicContact CD1-CE2 4.1Å; L56-Y484 HydrophobicContact CD2-CD2 4.32Å; L56-Y484 HydrophobicContact CD2-CE2 3.82Å; L56-Y484 HydrophobicContact CG-CE2 4.4Å; L63-Y484 HydrophobicContact CD1-CD2 4.42Å; L63-Y484 HydrophobicContact CD1-CG 4.36Å; L63-Y484 HydrophobicContact CD2-CD1 3.62Å; L63-Y484 HydrophobicContact CD2-CE1 4.19Å; L63-Y484 HydrophobicContact CD2-CG 3.8Å; P76-Y484 HydrophobicContact CB-CE1 4.46Å; P76-Y484 WeakPolarHBondContact CB-OH 3.25Å; P76-Y484 PolarHBondContact O-OH 2.85Å; I79-Y484 HydrophobicContact CG2-CD1 3.9Å; I79-Y484 HydrophobicContact CG2-CE1 3.98Å; L474-Y484 WeakPolarHBondContact CA-O 3.02Å; T475-Y484 PolarHBondContact N-O 3.27Å; T475-Y484 PolarHBondContact O-N 3.38Å; Y484-L492 CarbonylContact C-O 3.28Å; Y484-L492 VanDerWaalsContact CA-O 3.29Å; Y484-L492 WeakPolarHBondContact CA-O 3.05Å; Y484-Q493 HydrophobicContact CD1-CB 4.08Å; Y484-Q493 HydrophobicContact CD1-CG 4.11Å; Y484-Q493 HydrophobicContact CE1-CB 4.28Å; Y484-Q493 HydrophobicContact CE1-CG 3.83Å |
| 485 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.1 | -172.3 | -39.8 | -174.1 | 0 | 0 | 0 | 108.5 | L446 L464 V471 L474 L483 V491 L492 L494 | L446-I485 HydrophobicContact CD2-CD1 4.23Å; L464-I485 HydrophobicContact CD1-CD1 3.73Å; L464-I485 HydrophobicContact CD1-CG2 4.02Å; L464-I485 HydrophobicContact CD2-CD1 3.75Å; L464-I485 HydrophobicContact CG-CD1 4.41Å; V471-I485 HydrophobicContact CB-CG2 4.36Å; V471-I485 HydrophobicContact CG1-CG2 3.54Å; V471-I485 HydrophobicContact CG2-CG2 4.02Å; L474-I485 HydrophobicContact CD1-CB 4.26Å; L474-I485 HydrophobicContact CD1-CD1 4.26Å; L474-I485 HydrophobicContact CD1-CG1 3.73Å; L474-I485 HydrophobicContact CD1-CG2 4.09Å; L483-I485 HydrophobicContact CD2-CD1 4.21Å; L483-I485 HydrophobicContact CD2-CG1 4.43Å; L483-I485 HydrophobicContact CG-CG1 4.3Å; I485-V491 CarbonylContact O-C 3.58Å; I485-V491 VanDerWaalsContact O-CA 3.3Å; I485-V491 WeakPolarHBondContact O-CA 3.38Å; I485-L492 HydrophobicContact CB-CB 4.23Å; I485-L492 PolarHBondContact N-O 2.92Å; I485-L492 PolarHBondContact O-N 3.31Å; I485-L494 HydrophobicContact CD1-CD1 3.76Å; I485-L494 HydrophobicContact CD1-CD2 4.08Å; I485-L494 HydrophobicContact CD1-CG 4.46Å; I485-L494 HydrophobicContact CG1-CD1 4.26Å |
| 486 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y51 D472 S473 | Y51-G486 WeakPolarHBondContact O-CA 3.44Å; D472-G486 PolarHBondContact N-O 2.85Å; S473-G486 PolarHBondContact N-O 3.16Å; S473-G486 PolarHBondContact O-N 3.41Å; S473-G486 WeakPolarHBondContact OG-CA 3.34Å; S473-G486 PolarHBondContact OG-N 3.05Å |
| 487 | S | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -137.9 | -167.3 | -179.2 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | Y51 F465 Q469 S489 E490 | Y51-S487 PolarHBondContact N-O 3.36Å; F465-S487 WeakPolarHBondContact CE1-OG 3.47Å; F465-S487 VanDerWaalsContact CZ-CB 3.42Å; Q469-S487 PolarHBondContact NE2-OG 3.12Å; Q469-S487 PolarHBondContact OE1-OG 3.38Å; S487-S489 PolarHBondContact OG-N 3.19Å; S487-S489 PolarHBondContact OG-OG 3.46Å; S487-E490 PolarHBondContact N-O 2.86Å; S487-E490 PolarHBondContact OG-N 3.19Å; S487-E490 PolarHBondContact OG-O 3.03Å | ||
| 488 | R | 96.2 | Very high | 95.9 | Very high | 145 Ų | 145 | 30.3 Ų | 30.3 | 55% | 0.547 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -68.7 | -33.1 | 173.9 | -173.8 | 173.8 | 179.4 | -163 | -2.3 | 112.9 | F49 N50 D472 | F49-R488 CarbonylContact C-O 3.57Å; F49-R488 VanDerWaalsContact CA-O 3.3Å; F49-R488 WeakPolarHBondContact CA-O 3.28Å; F49-R488 WeakPolarHBondContact CB-O 2.99Å; N50-R488 PolarHBondContact N-O 2.84Å; D472-R488 PolarHBondContact OD2-N 3.04Å |
| 489 | S | 96.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 27.1 Ų | 27.1 | 29% | 0.294 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -97.2 | -32.3 | -176 | 62.2 | 0 | 0 | 0 | 0 | 115.4 | S44 Y51 Q469 S487 | S44-S489 WeakPolarHBondContact CB-O 3.25Å; Y51-S489 VanDerWaalsContact CE2-C 3.44Å; Y51-S489 WeakPolarHBondContact CE2-O 3.44Å; Q469-S489 PolarHBondContact NE2-OG 2.9Å; Q469-S489 PolarHBondContact OE1-OG 2.78Å; S487-S489 PolarHBondContact OG-N 3.19Å; S487-S489 PolarHBondContact OG-OG 3.46Å |
| 490 | E | 96.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | trans | -161.7 | 173.9 | -164.6 | 68.8 | -157.5 | 107.7 | 0 | 0 | 113.5 | R42 F43 F465 S487 L492 | R42-E490 WeakPolarHBondContact CD-OE2 3.46Å; R42-E490 IonicContact CZ-OE2 2.69Å; R42-E490 IonicContact NE-OE2 2.69Å; R42-E490 VanDerWaalsContact NH1-CD 3.34Å; R42-E490 IonicContact NH1-OE1 2.73Å; R42-E490 IonicContact NH1-OE2 2.71Å; R42-E490 PolarHBondContact NH1-OE2 2.84Å; F43-E490 CarbonylContact O-C 3.52Å; F43-E490 WeakPolarHBondContact O-CA 3.16Å; F43-E490 WeakPolarHBondContact O-CB 3.24Å; F465-E490 HydrophobicContact CD1-CG 4.28Å; F465-E490 WeakPolarHBondContact CD1-OE1 3.33Å; F465-E490 HydrophobicContact CE1-CG 3.79Å; S487-E490 PolarHBondContact N-O 2.86Å; S487-E490 PolarHBondContact OG-N 3.19Å; S487-E490 PolarHBondContact OG-O 3.03Å; E490-L492 HydrophobicContact CG-CD2 3.77Å; E490-L492 HydrophobicContact CG-CG 4.39Å; E490-L492 WeakPolarHBondContact OE2-CD2 3.27Å | ||
| 491 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.8 | 161.7 | -176 | 0 | 0 | 0 | 0 | 109 | R42 F43 Y51 L54 V65 I79 I485 | R42-V491 CarbonylContact C-O 3.57Å; R42-V491 WeakPolarHBondContact CA-O 3.17Å; F43-V491 HydrophobicContact CB-CB 4.45Å; F43-V491 PolarHBondContact N-O 2.03Å; F43-V491 PolarHBondContact O-N 3.38Å; Y51-V491 HydrophobicContact CD1-CG2 3.89Å; Y51-V491 HydrophobicContact CG-CG2 3.95Å; L54-V491 HydrophobicContact CD2-CG1 4.12Å; L54-V491 HydrophobicContact CD2-CG2 4.21Å; V65-V491 HydrophobicContact CG1-CG2 3.85Å; V65-V491 HydrophobicContact CG2-CG2 4.34Å; I79-V491 HydrophobicContact CD1-CB 4.25Å; I79-V491 HydrophobicContact CD1-CG1 3.95Å; I79-V491 VanDerWaalsContact CD1-O 3.3Å; I79-V491 WeakPolarHBondContact CD1-O 3.16Å; I485-V491 CarbonylContact O-C 3.58Å; I485-V491 VanDerWaalsContact O-CA 3.3Å; I485-V491 WeakPolarHBondContact O-CA 3.38Å |
| 492 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 150.3 | 173.5 | -50.1 | -178.3 | 0 | 0 | 0 | 111 | A41 R42 I79 L464 F465 Y484 I485 E490 L494 | A41-L492 CarbonylContact O-C 3.58Å; A41-L492 WeakPolarHBondContact O-CA 3.41Å; R42-L492 HydrophobicContact CB-CD2 4.46Å; R42-L492 HydrophobicContact CG-CD2 3.79Å; R42-L492 VanDerWaalsContact NH1-CD2 3.28Å; I79-L492 VanDerWaalsContact CD1-C 3.48Å; L464-L492 HydrophobicContact CB-CD1 3.67Å; L464-L492 HydrophobicContact CD1-CD1 4.45Å; L464-L492 HydrophobicContact CD2-CD1 4.07Å; L464-L492 HydrophobicContact CG-CD1 4.29Å; F465-L492 HydrophobicContact CD1-CD1 4.23Å; F465-L492 HydrophobicContact CE1-CD1 3.54Å; F465-L492 HydrophobicContact CE1-CD2 4.14Å; F465-L492 HydrophobicContact CE1-CG 3.85Å; F465-L492 HydrophobicContact CZ-CD1 3.84Å; F465-L492 HydrophobicContact CZ-CG 4.32Å; Y484-L492 CarbonylContact C-O 3.28Å; Y484-L492 VanDerWaalsContact CA-O 3.29Å; Y484-L492 WeakPolarHBondContact CA-O 3.05Å; I485-L492 HydrophobicContact CB-CB 4.23Å; I485-L492 PolarHBondContact N-O 2.92Å; I485-L492 PolarHBondContact O-N 3.31Å; E490-L492 HydrophobicContact CG-CD2 3.77Å; E490-L492 HydrophobicContact CG-CG 4.39Å; E490-L492 WeakPolarHBondContact OE2-CD2 3.27Å; L492-L494 HydrophobicContact CB-CD1 3.64Å; L492-L494 HydrophobicContact CD1-CD1 4.25Å |
| 493 | Q | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.1 | 168.6 | 172.2 | -169.3 | -0.9 | 0 | 0 | 108.8 | A41 P76 N77 I79 Y482 Y484 | A41-Q493 HydrophobicContact CB-CB 4.22Å; A41-Q493 PolarHBondContact N-O 2.82Å; A41-Q493 VanDerWaalsContact N-O 3.1Å; A41-Q493 PolarHBondContact O-N 2.88Å; P76-Q493 PolarHBondContact O-NE2 3.28Å; N77-Q493 PolarHBondContact O-NE2 2.93Å; I79-Q493 HydrophobicContact CB-CB 4.46Å; I79-Q493 HydrophobicContact CD1-CB 3.72Å; I79-Q493 HydrophobicContact CG1-CB 3.74Å; I79-Q493 HydrophobicContact CG2-CB 3.96Å; I79-Q493 HydrophobicContact CG2-CG 4.46Å; Y482-Q493 HydrophobicContact CD1-CG 3.6Å; Y482-Q493 HydrophobicContact CE1-CG 4.16Å; Y482-Q493 VanDerWaalsContact CE1-NE2 3.33Å; Y482-Q493 HydrophobicContact CG-CG 4.01Å; Y484-Q493 HydrophobicContact CD1-CB 4.08Å; Y484-Q493 HydrophobicContact CD1-CG 4.11Å; Y484-Q493 HydrophobicContact CE1-CB 4.28Å; Y484-Q493 HydrophobicContact CE1-CG 3.83Å |
| 494 | L | 96.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 179.3 | -78.3 | 71.2 | 0 | 0 | 0 | 110.2 | M40 L446 I462 L464 Y482 L483 I485 L492 | M40-L494 HydrophobicContact CB-CD1 4.26Å; M40-L494 HydrophobicContact CB-CG 4.45Å; M40-L494 HydrophobicContact CG-CD1 4.05Å; M40-L494 HydrophobicContact CG-CD2 4.41Å; M40-L494 HydrophobicContact CG-CG 3.83Å; M40-L494 HydrophobicContact SD-CD1 3.75Å; M40-L494 HydrophobicContact SD-CD2 3.79Å; M40-L494 HydrophobicContact SD-CG 3.75Å; L446-L494 HydrophobicContact CD2-CD2 3.83Å; I462-L494 HydrophobicContact CD1-CD2 4.5Å; L464-L494 HydrophobicContact CD2-CD1 4.37Å; L464-L494 HydrophobicContact CD2-CD2 3.75Å; Y482-L494 CarbonylContact C-O 3.58Å; Y482-L494 VanDerWaalsContact CA-O 3.32Å; Y482-L494 WeakPolarHBondContact CA-O 3.5Å; L483-L494 PolarHBondContact N-O 3.34Å; L483-L494 PolarHBondContact O-N 3.07Å; I485-L494 HydrophobicContact CD1-CD1 3.76Å; I485-L494 HydrophobicContact CD1-CD2 4.08Å; I485-L494 HydrophobicContact CD1-CG 4.46Å; I485-L494 HydrophobicContact CG1-CD1 4.26Å; L492-L494 HydrophobicContact CB-CD1 3.64Å; L492-L494 HydrophobicContact CD1-CD1 4.25Å |
| 495 | P | 95 | Very high | 95 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 23% | 0.234 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 148.2 | 166.5 | 29.1 | -33.9 | 0 | 0 | 0 | 110.7 | S39 Y482 A497 | S39-P495 WeakPolarHBondContact O-CD 3.46Å; Y482-P495 HydrophobicContact CE1-CB 4.41Å; P495-A497 PolarHBondContact O-N 2.87Å; P495-A497 VanDerWaalsContact O-N 3.08Å |
| 496 | L | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -62.9 | -17.6 | -180 | -64.5 | -165.9 | 0 | 0 | 0 | 114.5 | D424 F438 R448 I476 K481 L483 Y515 | D424-L496 HydrophobicContact CB-CD1 4.47Å; F438-L496 HydrophobicContact CE1-CB 4.45Å; F438-L496 HydrophobicContact CE1-CD2 4.12Å; F438-L496 HydrophobicContact CE2-CD2 4.2Å; F438-L496 HydrophobicContact CZ-CB 3.97Å; F438-L496 HydrophobicContact CZ-CD1 4.39Å; F438-L496 HydrophobicContact CZ-CD2 3.78Å; F438-L496 HydrophobicContact CZ-CG 4.23Å; R448-L496 PolarHBondContact NE-O 3.16Å; R448-L496 PolarHBondContact NH2-O 3.41Å; I476-L496 HydrophobicContact CD1-CD1 3.82Å; I476-L496 HydrophobicContact CD1-CD2 3.92Å; I476-L496 HydrophobicContact CG1-CD1 4.37Å; I476-L496 HydrophobicContact CG1-CD2 4.17Å; K481-L496 HydrophobicContact CB-CD1 4.35Å; K481-L496 HydrophobicContact CB-CG 4.31Å; K481-L496 HydrophobicContact CD-CD1 3.69Å; K481-L496 PolarHBondContact O-N 3.48Å; K481-L496 VanDerWaalsContact O-N 3.09Å; L483-L496 HydrophobicContact CB-CD2 3.82Å; L496-Y515 HydrophobicContact CB-CE1 4.2Å; L496-Y515 HydrophobicContact CB-CE2 4.09Å; L496-Y515 HydrophobicContact CD1-CE1 4.05Å |
| 497 | A | 94.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | trans | -153.3 | 154.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P495 Y515 | P495-A497 PolarHBondContact O-N 2.87Å; P495-A497 VanDerWaalsContact O-N 3.08Å; A497-Y515 HydrophobicContact CB-CD2 3.77Å; A497-Y515 HydrophobicContact CB-CG 4.01Å | ||
| 498 | N | 94 | Very high | 94.4 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 20% | 0.198 | 15% | 0.153 | C | C | . | . | trans | -129.2 | 76.9 | 174.1 | -170.5 | 0.7 | 0 | 0 | 0 | 110.9 | S39 S500 R501 | S39-N498 WeakPolarHBondContact CB-ND2 3.35Å; N498-S500 VanDerWaalsContact C-N 3.25Å; N498-S500 PolarHBondContact O-N 3Å; N498-S500 PolarHBondContact OD1-OG 2.85Å; N498-R501 HydrophobicContact CB-CG 4.44Å; N498-R501 WeakPolarHBondContact O-CB 3.46Å; N498-R501 WeakPolarHBondContact O-CG 3.35Å; N498-R501 PolarHBondContact O-N 3.46Å | ||
| 499 | C | 95.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -65.3 | -20.1 | -168.3 | -51.8 | 0 | 0 | 0 | 0 | 115 | R501 Y502 C516 C525 R527 | C499-R501 PolarHBondContact O-N 2.95Å; C499-R501 VanDerWaalsContact O-N 3.15Å; C499-Y502 WeakPolarHBondContact O-CD2 3.43Å; C499-Y502 PolarHBondContact O-N 3.05Å; C499-C516 WeakPolarHBondContact CA-SG 3.31Å; C499-C516 HydrophobicContact CB-CB 3.77Å; C499-C516 WeakPolarHBondContact CB-SG 3.35Å; C499-C516 WeakPolarHBondContact SG-CA 3.48Å; C499-C516 WeakPolarHBondContact SG-CB 3.46Å; C499-C516 CovalentContact SG-SG 2.03Å; C499-C516 PolarHBondContact SG-SG 2.83Å; C499-C525 WeakPolarHBondContact O-CB 3.46Å; C499-R527 WeakPolarHBondContact SG-CG 3.35Å |
| 500 | S | 92.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 21.4 Ų | 21.4 | 59% | 0.594 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | -65.6 | -14.3 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | N498 Y502 | N498-S500 VanDerWaalsContact C-N 3.25Å; N498-S500 PolarHBondContact O-N 3Å; N498-S500 PolarHBondContact OD1-OG 2.85Å; S500-Y502 PolarHBondContact O-N 3.47Å |
| 501 | R | 89.9 | Confident | 94.2 | Very high | 45 Ų | 45 | 20.1 Ų | 20.1 | 17% | 0.17 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -64 | -7.9 | 167.7 | -65.6 | -178.8 | 178.4 | 160.4 | 4.9 | 113.9 | K29 S39 E460 N498 C499 | K29-R501 PolarHBondContact NZ-O 3.27Å; S39-R501 PolarHBondContact OG-NH2 3.25Å; S39-R501 VanDerWaalsContact OG-NH2 3.17Å; E460-R501 IonicContact OE1-NH1 2.68Å; E460-R501 PolarHBondContact OE1-NH1 3.33Å; E460-R501 VanDerWaalsContact OE1-NH1 3.12Å; E460-R501 IonicContact OE2-CZ 3.58Å; E460-R501 IonicContact OE2-NH1 3.38Å; E460-R501 PolarHBondContact OE2-NH1 2.85Å; N498-R501 HydrophobicContact CB-CG 4.44Å; N498-R501 WeakPolarHBondContact O-CB 3.46Å; N498-R501 WeakPolarHBondContact O-CG 3.35Å; N498-R501 PolarHBondContact O-N 3.46Å; C499-R501 PolarHBondContact O-N 2.95Å; C499-R501 VanDerWaalsContact O-N 3.15Å |
| 502 | Y | 92.8 | Very high | 94 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | trans | -114.3 | 93 | 179.3 | -45.9 | -59.9 | 0 | 0 | 0 | 110.6 | K29 I459 C499 S500 S504 D507 A511 D513 C525 | K29-Y502 HydrophobicContact CD-CE1 4.12Å; I459-Y502 WeakPolarHBondContact CG2-OH 3.2Å; C499-Y502 WeakPolarHBondContact O-CD2 3.43Å; C499-Y502 PolarHBondContact O-N 3.05Å; S500-Y502 PolarHBondContact O-N 3.47Å; Y502-S504 VanDerWaalsContact C-N 3.29Å; Y502-S504 PolarHBondContact O-N 2.81Å; Y502-D507 WeakPolarHBondContact CA-OD2 3.45Å; Y502-A511 HydrophobicContact CD1-CB 3.63Å; Y502-A511 HydrophobicContact CD2-CB 3.97Å; Y502-A511 HydrophobicContact CE1-CB 3.42Å; Y502-A511 VanDerWaalsContact CE1-CB 3.42Å; Y502-A511 HydrophobicContact CE2-CB 3.75Å; Y502-A511 HydrophobicContact CG-CB 3.92Å; Y502-A511 VanDerWaalsContact CZ-CB 3.49Å; Y502-D513 HydrophobicContact CE2-CB 4.33Å; Y502-C525 WeakPolarHBondContact O-CB 3.44Å | ||
| 503 | Q | 89.4 | Confident | 94 | Very high | 99 Ų | 99 | 21.2 Ų | 21.2 | 46% | 0.463 | 11% | 0.114 | S | C | . | . | trans | -81.3 | 0.8 | -163 | -63 | -178.6 | -10.8 | 0 | 0 | 115.1 | P561 | Q503-P561 HydrophobicContact CB-CG 3.81Å; Q503-P561 HydrophobicContact CG-CG 4.48Å | ||
| 504 | S | 91.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 21 Ų | 21 | 11% | 0.105 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -153.7 | 159.9 | -176.7 | 63 | 0 | 0 | 0 | 0 | 111.8 | Y502 D507 C508 W518 | Y502-S504 VanDerWaalsContact C-N 3.29Å; Y502-S504 PolarHBondContact O-N 2.81Å; S504-D507 PolarHBondContact O-N 3.1Å; S504-C508 WeakPolarHBondContact O-CB 3.33Å; S504-C508 PolarHBondContact O-N 3.17Å; S504-W518 VanDerWaalsContact CA-CZ3 3.44Å |
| 505 | Q | 91.3 | Very high | 94 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 25% | 0.252 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -52.7 | -47.6 | -179.2 | -174.2 | 167.2 | 39.5 | 0 | 0 | 113.7 | C508 L509 W518 N520 S539 F554 | Q505-C508 PolarHBondContact O-N 2.8Å; Q505-L509 HydrophobicContact CG-CD1 4.04Å; Q505-L509 VanDerWaalsContact O-CG 3.31Å; Q505-L509 WeakPolarHBondContact O-CG 3.46Å; Q505-L509 PolarHBondContact O-N 3.46Å; Q505-L509 VanDerWaalsContact O-N 3.08Å; Q505-W518 VanDerWaalsContact CA-CD2 3.43Å; Q505-W518 HydrophobicContact CB-CD2 3.66Å; Q505-W518 HydrophobicContact CB-CE3 4.26Å; Q505-W518 HydrophobicContact CB-CG 3.82Å; Q505-W518 HydrophobicContact CB-CZ2 4.07Å; Q505-W518 HydrophobicContact CG-CB 4.21Å; Q505-W518 HydrophobicContact CG-CD2 4.1Å; Q505-W518 HydrophobicContact CG-CG 3.67Å; Q505-W518 VanDerWaalsContact N-CZ3 3.31Å; Q505-W518 VanDerWaalsContact NE2-CD1 3.3Å; Q505-N520 PolarHBondContact NE2-OD1 3.22Å; Q505-S539 PolarHBondContact NE2-OG 2.85Å; Q505-F554 HydrophobicContact CG-CE1 4.46Å |
| 506 | P | 92.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69 | -39 | -178.9 | -12.2 | 26.6 | 0 | 0 | 0 | 111.9 | C508 L509 L510 F554 V558 V642 F644 | P506-C508 VanDerWaalsContact C-N 3.33Å; P506-C508 PolarHBondContact O-N 3.47Å; P506-L509 PolarHBondContact O-N 2.8Å; P506-L510 HydrophobicContact CB-CD1 4.48Å; P506-L510 WeakPolarHBondContact O-CB 3.24Å; P506-L510 WeakPolarHBondContact O-CG 3.37Å; P506-L510 PolarHBondContact O-N 3.12Å; P506-F554 HydrophobicContact CB-CD2 4.19Å; P506-F554 HydrophobicContact CB-CE2 3.85Å; P506-F554 HydrophobicContact CB-CZ 4.03Å; P506-F554 HydrophobicContact CG-CD1 3.88Å; P506-F554 HydrophobicContact CG-CD2 4.04Å; P506-F554 HydrophobicContact CG-CE1 3.77Å; P506-F554 HydrophobicContact CG-CE2 3.92Å; P506-F554 HydrophobicContact CG-CG 4.01Å; P506-F554 HydrophobicContact CG-CZ 3.79Å; P506-V558 HydrophobicContact CG-CG2 3.89Å; P506-V642 HydrophobicContact CB-CB 4.45Å; P506-V642 HydrophobicContact CB-CG1 3.69Å; P506-V642 HydrophobicContact CB-CG2 4.3Å; P506-V642 HydrophobicContact CG-CG1 3.97Å; P506-F644 HydrophobicContact CB-CE1 4.06Å; P506-F644 HydrophobicContact CB-CZ 3.81Å; P506-F644 HydrophobicContact CG-CE1 4.36Å |
| 507 | D | 93.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.053 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 177.7 | -174.7 | 24.6 | 0 | 0 | 0 | 111.8 | R28 K29 Y502 S504 A511 F644 | R28-D507 IonicContact CZ-OD1 2.68Å; R28-D507 VanDerWaalsContact CZ-OD1 3.27Å; R28-D507 PolarHBondContact NH1-O 3.44Å; R28-D507 IonicContact NH1-OD1 2.89Å; R28-D507 PolarHBondContact NH1-OD1 2.83Å; R28-D507 IonicContact NH2-OD1 2.84Å; R28-D507 PolarHBondContact NH2-OD1 2.93Å; K29-D507 VanDerWaalsContact CE-OD1 3.31Å; K29-D507 WeakPolarHBondContact CE-OD1 3.24Å; K29-D507 IonicContact NZ-OD1 2.68Å; K29-D507 PolarHBondContact NZ-OD1 2.81Å; K29-D507 IonicContact NZ-OD2 2.8Å; K29-D507 PolarHBondContact NZ-OD2 2.84Å; Y502-D507 WeakPolarHBondContact CA-OD2 3.45Å; S504-D507 PolarHBondContact O-N 3.1Å; D507-A511 VanDerWaalsContact O-CB 3.29Å; D507-A511 WeakPolarHBondContact O-CB 3.49Å; D507-A511 PolarHBondContact O-N 2.94Å; D507-F644 HydrophobicContact CB-CE1 4.01Å; D507-F644 HydrophobicContact CB-CZ 4.14Å |
| 508 | C | 95.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | S504 Q505 P506 W518 C525 | S504-C508 WeakPolarHBondContact O-CB 3.33Å; S504-C508 PolarHBondContact O-N 3.17Å; Q505-C508 PolarHBondContact O-N 2.8Å; P506-C508 VanDerWaalsContact C-N 3.33Å; P506-C508 PolarHBondContact O-N 3.47Å; C508-W518 HydrophobicContact CB-CB 4.13Å; C508-W518 HydrophobicContact CB-CE3 4Å; C508-W518 PolarHBondContact SG-N 3.1Å; C508-C525 HydrophobicContact CB-CB 3.56Å; C508-C525 WeakPolarHBondContact CB-SG 3.47Å; C508-C525 WeakPolarHBondContact SG-CB 3.48Å; C508-C525 CovalentContact SG-SG 2.03Å; C508-C525 PolarHBondContact SG-SG 3.09Å |
| 509 | L | 94.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -74.8 | -43.9 | 175.7 | -64.8 | 174.3 | 0 | 0 | 0 | 111.8 | Q505 P506 A511 R512 S539 D541 F547 F554 | Q505-L509 HydrophobicContact CG-CD1 4.04Å; Q505-L509 VanDerWaalsContact O-CG 3.31Å; Q505-L509 WeakPolarHBondContact O-CG 3.46Å; Q505-L509 PolarHBondContact O-N 3.46Å; Q505-L509 VanDerWaalsContact O-N 3.08Å; P506-L509 PolarHBondContact O-N 2.8Å; L509-A511 VanDerWaalsContact C-N 3.25Å; L509-A511 PolarHBondContact O-N 3.48Å; L509-R512 PolarHBondContact O-N 2.88Å; L509-R512 VanDerWaalsContact O-N 3.12Å; L509-S539 WeakPolarHBondContact CD2-O 3.26Å; L509-D541 HydrophobicContact CD2-CB 4.22Å; L509-F547 HydrophobicContact CB-CE2 4Å; L509-F547 HydrophobicContact CB-CZ 4.01Å; L509-F547 HydrophobicContact CD1-CZ 4.49Å; L509-F554 HydrophobicContact CD1-CZ 4.49Å |
| 510 | L | 94.9 | Very high | 94 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.7 | -19.8 | 178.9 | -70 | 169.9 | 0 | 0 | 0 | 113.3 | R28 P506 R512 L544 F547 E639 Q640 V642 F644 | R28-L510 VanDerWaalsContact CD-O 3.27Å; R28-L510 WeakPolarHBondContact CD-O 3.45Å; R28-L510 PolarHBondContact NE-O 3.18Å; P506-L510 HydrophobicContact CB-CD1 4.48Å; P506-L510 WeakPolarHBondContact O-CB 3.24Å; P506-L510 WeakPolarHBondContact O-CG 3.37Å; P506-L510 PolarHBondContact O-N 3.12Å; L510-R512 PolarHBondContact O-N 3.25Å; L510-L544 HydrophobicContact CD2-CD2 4.05Å; L510-F547 HydrophobicContact CD1-CE1 4.36Å; L510-F547 HydrophobicContact CD2-CD1 4.13Å; L510-F547 HydrophobicContact CD2-CE1 3.68Å; L510-F547 HydrophobicContact CD2-CE2 4.3Å; L510-F547 HydrophobicContact CD2-CZ 3.78Å; L510-F547 HydrophobicContact CG-CE1 3.96Å; L510-F547 HydrophobicContact CG-CZ 3.84Å; L510-E639 HydrophobicContact CD1-CB 4.2Å; L510-E639 HydrophobicContact CD1-CG 4.18Å; L510-Q640 HydrophobicContact CD2-CB 3.74Å; L510-Q640 HydrophobicContact CD2-CG 3.62Å; L510-V642 HydrophobicContact CD1-CB 4.37Å; L510-V642 HydrophobicContact CD1-CG2 4.23Å; L510-F644 HydrophobicContact CD1-CE2 4.09Å; L510-F644 HydrophobicContact CD1-CZ 4.07Å |
| 511 | A | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.3 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | R28 Y502 D507 L509 D513 | R28-A511 VanDerWaalsContact NH1-CA 3.35Å; Y502-A511 HydrophobicContact CD1-CB 3.63Å; Y502-A511 HydrophobicContact CD2-CB 3.97Å; Y502-A511 HydrophobicContact CE1-CB 3.42Å; Y502-A511 VanDerWaalsContact CE1-CB 3.42Å; Y502-A511 HydrophobicContact CE2-CB 3.75Å; Y502-A511 HydrophobicContact CG-CB 3.92Å; Y502-A511 VanDerWaalsContact CZ-CB 3.49Å; D507-A511 VanDerWaalsContact O-CB 3.29Å; D507-A511 WeakPolarHBondContact O-CB 3.49Å; D507-A511 PolarHBondContact O-N 2.94Å; L509-A511 VanDerWaalsContact C-N 3.25Å; L509-A511 PolarHBondContact O-N 3.48Å; A511-D513 HydrophobicContact CB-CB 4.46Å; A511-D513 PolarHBondContact O-N 2.95Å |
| 512 | R | 95.8 | Very high | 94 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | trans | 49.2 | 29.7 | -177.5 | -53.1 | 172 | 80.4 | -179.9 | 9.1 | 112.9 | L450 L452 E455 L509 L510 L542 L544 | L450-R512 VanDerWaalsContact CD2-O 3.26Å; L450-R512 WeakPolarHBondContact CD2-O 3.28Å; L452-R512 VanDerWaalsContact CD1-CZ 3.48Å; E455-R512 IonicContact OE1-NH1 3.73Å; E455-R512 PolarHBondContact OE1-NH1 2.89Å; L509-R512 PolarHBondContact O-N 2.88Å; L509-R512 VanDerWaalsContact O-N 3.12Å; L510-R512 PolarHBondContact O-N 3.25Å; R512-L542 VanDerWaalsContact C-CD2 3.47Å; R512-L542 PolarHBondContact NE-O 2.85Å; R512-L542 PolarHBondContact NH2-O 3.08Å; R512-L542 WeakPolarHBondContact O-CD2 3.46Å; R512-L544 HydrophobicContact CG-CD2 3.95Å; R512-L544 HydrophobicContact CG-CG 4.2Å | ||
| 513 | D | 97.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -82.8 | 118.5 | -177.6 | -173 | -36.8 | 0 | 0 | 0 | 109.7 | R448 I459 Y502 A511 Y515 C516 Q540 | R448-D513 IonicContact CZ-OD2 3.89Å; R448-D513 IonicContact NH1-OD2 3.33Å; R448-D513 PolarHBondContact NH1-OD2 3.17Å; R448-D513 IonicContact NH2-OD1 2.68Å; R448-D513 PolarHBondContact NH2-OD1 2.68Å; R448-D513 IonicContact NH2-OD2 3.73Å; R448-D513 PolarHBondContact NH2-OD2 2.71Å; I459-D513 HydrophobicContact CD1-CB 4.32Å; I459-D513 HydrophobicContact CG2-CB 4.32Å; Y502-D513 HydrophobicContact CE2-CB 4.33Å; A511-D513 HydrophobicContact CB-CB 4.46Å; A511-D513 PolarHBondContact O-N 2.95Å; D513-Y515 PolarHBondContact O-N 3.02Å; D513-Y515 VanDerWaalsContact OD1-CD2 3.3Å; D513-Y515 WeakPolarHBondContact OD1-CD2 3.43Å; D513-Y515 PolarHBondContact OD1-N 3.11Å; D513-C516 HydrophobicContact CB-CB 3.97Å; D513-C516 VanDerWaalsContact CG-SG 3.5Å; D513-C516 PolarHBondContact O-N 3.37Å; D513-C516 VanDerWaalsContact O-N 3.08Å; D513-Q540 PolarHBondContact O-NE2 3.33Å | ||
| 514 | P | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.4 | -173.1 | 30.4 | -38.6 | 0 | 0 | 0 | 113.6 | V426 M436 L450 Q540 L542 | V426-P514 HydrophobicContact CG1-CB 3.62Å; V426-P514 HydrophobicContact CG1-CG 3.58Å; V426-P514 HydrophobicContact CG2-CB 4.06Å; M436-P514 HydrophobicContact SD-CG 4.26Å; L450-P514 HydrophobicContact CD1-CB 4.31Å; L450-P514 HydrophobicContact CD1-CG 3.88Å; P514-Q540 PolarHBondContact O-NE2 2.7Å; P514-L542 HydrophobicContact CB-CD1 4.08Å; P514-L542 HydrophobicContact CB-CD2 4.5Å |
| 515 | Y | 96.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.8 | 176.7 | -49.4 | -81.8 | 0 | 0 | 0 | 112.8 | D424 V426 M436 F438 L496 A497 D513 R527 I528 | D424-Y515 VanDerWaalsContact CB-OH 3.29Å; D424-Y515 WeakPolarHBondContact CB-OH 3.29Å; D424-Y515 PolarHBondContact OD2-OH 3.16Å; V426-Y515 HydrophobicContact CB-CE1 3.95Å; V426-Y515 HydrophobicContact CG1-CE1 4.37Å; V426-Y515 HydrophobicContact CG2-CD1 3.8Å; V426-Y515 HydrophobicContact CG2-CE1 3.75Å; M436-Y515 HydrophobicContact CG-CE2 3.89Å; F438-Y515 HydrophobicContact CZ-CE2 4.04Å; L496-Y515 HydrophobicContact CB-CE1 4.2Å; L496-Y515 HydrophobicContact CB-CE2 4.09Å; L496-Y515 HydrophobicContact CD1-CE1 4.05Å; A497-Y515 HydrophobicContact CB-CD2 3.77Å; A497-Y515 HydrophobicContact CB-CG 4.01Å; D513-Y515 PolarHBondContact O-N 3.02Å; D513-Y515 VanDerWaalsContact OD1-CD2 3.3Å; D513-Y515 WeakPolarHBondContact OD1-CD2 3.43Å; D513-Y515 PolarHBondContact OD1-N 3.11Å; Y515-R527 WeakPolarHBondContact O-CA 3.46Å; Y515-I528 WeakPolarHBondContact O-CG1 3.41Å; Y515-I528 PolarHBondContact O-N 3.16Å |
| 516 | C | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142 | -173.8 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | C499 D513 V526 Q540 | C499-C516 WeakPolarHBondContact CA-SG 3.31Å; C499-C516 HydrophobicContact CB-CB 3.77Å; C499-C516 WeakPolarHBondContact CB-SG 3.35Å; C499-C516 WeakPolarHBondContact SG-CA 3.48Å; C499-C516 WeakPolarHBondContact SG-CB 3.46Å; C499-C516 CovalentContact SG-SG 2.03Å; C499-C516 PolarHBondContact SG-SG 2.83Å; D513-C516 HydrophobicContact CB-CB 3.97Å; D513-C516 VanDerWaalsContact CG-SG 3.5Å; D513-C516 PolarHBondContact O-N 3.37Å; D513-C516 VanDerWaalsContact O-N 3.08Å; C516-V526 WeakPolarHBondContact CA-O 3.37Å; C516-Q540 PolarHBondContact O-NE2 3.15Å |
| 517 | A | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L429 V526 I528 L538 Q540 | L429-A517 HydrophobicContact CD1-CB 3.69Å; L429-A517 HydrophobicContact CG-CB 4.5Å; A517-V526 PolarHBondContact N-O 3.36Å; A517-V526 WeakPolarHBondContact O-CG2 3.37Å; A517-V526 PolarHBondContact O-N 2.79Å; A517-I528 HydrophobicContact CB-CD1 4.03Å; A517-I528 HydrophobicContact CB-CG1 3.73Å; A517-L538 HydrophobicContact CB-CB 4.03Å; A517-L538 HydrophobicContact CB-CD1 4.42Å; A517-Q540 HydrophobicContact CB-CB 4.33Å |
| 518 | W | 95.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.4 | 173.6 | 178.9 | -93 | 0 | 0 | 0 | 110.4 | S504 Q505 C508 R523 A524 C525 L538 S539 | S504-W518 VanDerWaalsContact CA-CZ3 3.44Å; Q505-W518 VanDerWaalsContact CA-CD2 3.43Å; Q505-W518 HydrophobicContact CB-CD2 3.66Å; Q505-W518 HydrophobicContact CB-CE3 4.26Å; Q505-W518 HydrophobicContact CB-CG 3.82Å; Q505-W518 HydrophobicContact CB-CZ2 4.07Å; Q505-W518 HydrophobicContact CG-CB 4.21Å; Q505-W518 HydrophobicContact CG-CD2 4.1Å; Q505-W518 HydrophobicContact CG-CG 3.67Å; Q505-W518 VanDerWaalsContact N-CZ3 3.31Å; Q505-W518 VanDerWaalsContact NE2-CD1 3.3Å; C508-W518 HydrophobicContact CB-CB 4.13Å; C508-W518 HydrophobicContact CB-CE3 4Å; C508-W518 PolarHBondContact SG-N 3.1Å; W518-R523 WeakPolarHBondContact CH2-O 3.22Å; W518-R523 HydrophobicContact CZ2-CB 4.12Å; W518-R523 WeakPolarHBondContact CZ2-O 3.23Å; W518-A524 VanDerWaalsContact CZ3-C 3.48Å; W518-C525 HydrophobicContact CE3-CB 4.14Å; W518-L538 CarbonylContact O-C 3.48Å; W518-L538 WeakPolarHBondContact O-CA 3.42Å; W518-S539 PolarHBondContact N-O 3.2Å; W518-S539 PolarHBondContact O-N 3.3Å; W518-S539 PolarHBondContact O-OG 2.95Å |
| 519 | D | 95.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.2 | 170.1 | -179 | -2.8 | 0 | 0 | 0 | 109.6 | E521 G522 R523 A524 V526 H531 S537 L538 | D519-E521 VanDerWaalsContact C-N 3.32Å; D519-E521 PolarHBondContact OD1-N 3.46Å; D519-G522 VanDerWaalsContact CG-N 3.25Å; D519-G522 PolarHBondContact OD1-N 2.83Å; D519-G522 VanDerWaalsContact OD1-N 3.08Å; D519-G522 PolarHBondContact OD2-N 3.24Å; D519-R523 VanDerWaalsContact O-CA 3.25Å; D519-R523 WeakPolarHBondContact O-CA 3.37Å; D519-R523 PolarHBondContact O-N 3.21Å; D519-A524 PolarHBondContact N-O 3.49Å; D519-A524 PolarHBondContact O-N 2.85Å; D519-V526 HydrophobicContact CB-CG1 4.34Å; D519-V526 HydrophobicContact CB-CG2 4.04Å; D519-H531 IonicContact OD2-CE1 3.38Å; D519-H531 PolarHBondContact OD2-CE1 2.97Å; D519-H531 IonicContact OD2-ND1 3.87Å; D519-S537 PolarHBondContact OD1-OG 2.97Å; D519-L538 HydrophobicContact CB-CD2 3.81Å |
| 520 | N | 91.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | -179.4 | -68.5 | -81.2 | 0 | 0 | 0 | 113.1 | Q505 S537 S539 | Q505-N520 PolarHBondContact NE2-OD1 3.22Å; N520-S537 WeakPolarHBondContact CB-O 3.33Å; N520-S537 PolarHBondContact N-O 3.03Å; N520-S537 PolarHBondContact ND2-O 3.41Å; N520-S539 PolarHBondContact ND2-OG 3.33Å |
| 521 | E | 91 | Very high | 93.9 | Very high | 150 Ų | 150 | 45.2 Ų | 45.2 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -53.2 | 178 | -68.3 | 172.6 | -154 | 0 | 0 | 110.3 | D519 R523 S537 | D519-E521 VanDerWaalsContact C-N 3.32Å; D519-E521 PolarHBondContact OD1-N 3.46Å; E521-R523 PolarHBondContact O-N 2.75Å; E521-S537 WeakPolarHBondContact OE1-CB 3.42Å |
| 522 | G | 89.3 | Confident | 93.4 | Very high | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D519 A524 | D519-G522 VanDerWaalsContact CG-N 3.25Å; D519-G522 PolarHBondContact OD1-N 2.83Å; D519-G522 VanDerWaalsContact OD1-N 3.08Å; D519-G522 PolarHBondContact OD2-N 3.24Å; G522-A524 VanDerWaalsContact C-N 3.3Å; G522-A524 PolarHBondContact O-N 3.48Å |
| 523 | R | 91.1 | Very high | 92.7 | Very high | 203 Ų | 203 | 58.2 Ų | 58.2 | 77% | 0.766 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.5 | -178.1 | -59.8 | -177 | 176.3 | -171.1 | -0.2 | 113.4 | W518 D519 E521 | W518-R523 WeakPolarHBondContact CH2-O 3.22Å; W518-R523 HydrophobicContact CZ2-CB 4.12Å; W518-R523 WeakPolarHBondContact CZ2-O 3.23Å; D519-R523 VanDerWaalsContact O-CA 3.25Å; D519-R523 WeakPolarHBondContact O-CA 3.37Å; D519-R523 PolarHBondContact O-N 3.21Å; E521-R523 PolarHBondContact O-N 2.75Å |
| 524 | A | 93.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W518 D519 G522 V526 | W518-A524 VanDerWaalsContact CZ3-C 3.48Å; D519-A524 PolarHBondContact N-O 3.49Å; D519-A524 PolarHBondContact O-N 2.85Å; G522-A524 VanDerWaalsContact C-N 3.3Å; G522-A524 PolarHBondContact O-N 3.48Å; A524-V526 HydrophobicContact CB-CG1 4.26Å |
| 525 | C | 95.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 116.1 | 167.8 | -162.6 | 0 | 0 | 0 | 0 | 109.3 | C499 Y502 C508 W518 | C499-C525 WeakPolarHBondContact O-CB 3.46Å; Y502-C525 WeakPolarHBondContact O-CB 3.44Å; C508-C525 HydrophobicContact CB-CB 3.56Å; C508-C525 WeakPolarHBondContact CB-SG 3.47Å; C508-C525 WeakPolarHBondContact SG-CB 3.48Å; C508-C525 CovalentContact SG-SG 2.03Å; C508-C525 PolarHBondContact SG-SG 3.09Å; W518-C525 HydrophobicContact CE3-CB 4.14Å |
| 526 | V | 96 | Very high | 91.1 | Very high | 33 Ų | 33 | 70.2 Ų | 70.2 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.6 | -171.3 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | C516 A517 D519 A524 H531 L538 | C516-V526 WeakPolarHBondContact CA-O 3.37Å; A517-V526 PolarHBondContact N-O 3.36Å; A517-V526 WeakPolarHBondContact O-CG2 3.37Å; A517-V526 PolarHBondContact O-N 2.79Å; D519-V526 HydrophobicContact CB-CG1 4.34Å; D519-V526 HydrophobicContact CB-CG2 4.04Å; A524-V526 HydrophobicContact CB-CG1 4.26Å; V526-H531 HydrophobicContact CG2-CB 4.42Å; V526-L538 HydrophobicContact CG2-CD2 3.81Å |
| 527 | R | 94.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 70.6 Ų | 70.6 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.4 | 166.8 | -90.1 | -177.1 | 64.7 | 162.9 | -7.2 | 109.6 | K481 C499 Y515 D529 L530 H531 | K481-R527 VanDerWaalsContact CB-NH2 3.29Å; C499-R527 WeakPolarHBondContact SG-CG 3.35Å; Y515-R527 WeakPolarHBondContact O-CA 3.46Å; R527-D529 VanDerWaalsContact C-N 3.27Å; R527-D529 WeakPolarHBondContact CB-OD1 3.37Å; R527-D529 IonicContact CZ-OD1 3.17Å; R527-D529 IonicContact CZ-OD2 3.27Å; R527-D529 IonicContact NE-OD1 2.74Å; R527-D529 PolarHBondContact NE-OD1 2.6Å; R527-D529 IonicContact NE-OD2 2.78Å; R527-D529 IonicContact NH2-OD1 2.76Å; R527-D529 PolarHBondContact NH2-OD1 2.85Å; R527-D529 IonicContact NH2-OD2 2.81Å; R527-D529 PolarHBondContact NH2-OD2 2.81Å; R527-D529 PolarHBondContact O-N 3.36Å; R527-L530 HydrophobicContact CB-CB 4.11Å; R527-L530 HydrophobicContact CB-CD1 4.08Å; R527-L530 HydrophobicContact CB-CG 4.03Å; R527-L530 PolarHBondContact O-N 3.32Å; R527-H531 PolarHBondContact O-N 2.89Å; R527-H531 VanDerWaalsContact O-N 3.16Å |
| 528 | I | 93.9 | Very high | 90.7 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -60.8 | -39 | -178.3 | -63.3 | 165.2 | 0 | 0 | 0 | 110.7 | L429 Y515 A517 L530 H531 | L429-I528 HydrophobicContact CD2-CD1 3.94Å; L429-I528 HydrophobicContact CD2-CG1 4.29Å; L429-I528 HydrophobicContact CD2-CG2 3.98Å; L429-I528 HydrophobicContact CG-CD1 3.95Å; Y515-I528 WeakPolarHBondContact O-CG1 3.41Å; Y515-I528 PolarHBondContact O-N 3.16Å; A517-I528 HydrophobicContact CB-CD1 4.03Å; A517-I528 HydrophobicContact CB-CG1 3.73Å; I528-L530 VanDerWaalsContact C-N 3.27Å; I528-L530 PolarHBondContact O-N 2.85Å; I528-H531 PolarHBondContact O-N 2.7Å |
| 529 | D | 89.9 | Confident | 90.6 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -75 | -12.1 | -178.3 | 70 | -52.4 | 0 | 0 | 0 | 114.5 | R527 | R527-D529 VanDerWaalsContact C-N 3.27Å; R527-D529 WeakPolarHBondContact CB-OD1 3.37Å; R527-D529 IonicContact CZ-OD1 3.17Å; R527-D529 IonicContact CZ-OD2 3.27Å; R527-D529 IonicContact NE-OD1 2.74Å; R527-D529 PolarHBondContact NE-OD1 2.6Å; R527-D529 IonicContact NE-OD2 2.78Å; R527-D529 IonicContact NH2-OD1 2.76Å; R527-D529 PolarHBondContact NH2-OD1 2.85Å; R527-D529 IonicContact NH2-OD2 2.81Å; R527-D529 PolarHBondContact NH2-OD2 2.81Å; R527-D529 PolarHBondContact O-N 3.36Å |
| 530 | L | 90.3 | Very high | 90.6 | Very high | 115 Ų | 115 | 70.5 Ų | 70.5 | 60% | 0.602 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -107.9 | -7.1 | 176.4 | -57.8 | -177.9 | 0 | 0 | 0 | 113 | R527 I528 | R527-L530 HydrophobicContact CB-CB 4.11Å; R527-L530 HydrophobicContact CB-CD1 4.08Å; R527-L530 HydrophobicContact CB-CG 4.03Å; R527-L530 PolarHBondContact O-N 3.32Å; I528-L530 VanDerWaalsContact C-N 3.27Å; I528-L530 PolarHBondContact O-N 2.85Å |
| 531 | H | 88.9 | Confident | 90.7 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 20% | 0.199 | 37% | 0.366 | C | S | . | . | trans | -74 | 132.1 | -178.8 | -176 | 81.4 | 0 | 0 | 0 | 111.1 | D519 V526 R527 I528 G533 L538 | D519-H531 IonicContact OD2-CE1 3.38Å; D519-H531 PolarHBondContact OD2-CE1 2.97Å; D519-H531 IonicContact OD2-ND1 3.87Å; V526-H531 HydrophobicContact CG2-CB 4.42Å; R527-H531 PolarHBondContact O-N 2.89Å; R527-H531 VanDerWaalsContact O-N 3.16Å; I528-H531 PolarHBondContact O-N 2.7Å; H531-G533 PolarHBondContact CD2-N 2.99Å; H531-G533 VanDerWaalsContact CD2-N 3.3Å; H531-G533 PolarHBondContact CD2-O 2.92Å; H531-G533 VanDerWaalsContact NE2-C 3.29Å; H531-G533 WeakPolarHBondContact NE2-CA 3.48Å; H531-G533 PolarHBondContact NE2-N 3.33Å; H531-G533 VanDerWaalsContact NE2-N 3.19Å; H531-L538 HydrophobicContact CB-CD1 4.42Å | ||
| 532 | R | 83.9 | Confident | 90.9 | Very high | 247 Ų | 247 | 60.8 Ų | 60.8 | 93% | 0.932 | 33% | 0.334 | S | S | * | . | trans | -108.1 | -5.3 | -176.8 | -61 | -172.4 | -178.8 | -160.6 | 0.5 | 114.6 | ||||
| 533 | G | 81.1 | Confident | 90.9 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -85.4 | -168.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H531 | H531-G533 PolarHBondContact CD2-N 2.99Å; H531-G533 VanDerWaalsContact CD2-N 3.3Å; H531-G533 PolarHBondContact CD2-O 2.92Å; H531-G533 VanDerWaalsContact NE2-C 3.29Å; H531-G533 WeakPolarHBondContact NE2-CA 3.48Å; H531-G533 PolarHBondContact NE2-N 3.33Å; H531-G533 VanDerWaalsContact NE2-N 3.19Å |
| 534 | S | 84 | Confident | 90.9 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | trans | -74.6 | 130.2 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | S536 S537 | S534-S536 WeakPolarHBondContact CB-OG 3.47Å; S534-S536 PolarHBondContact O-N 3.11Å; S534-S536 PolarHBondContact OG-N 3.25Å; S534-S536 PolarHBondContact OG-OG 2.95Å; S534-S537 PolarHBondContact O-N 2.95Å; S534-S537 PolarHBondContact O-OG 3.22Å | ||
| 535 | T | 86.6 | Confident | 90.5 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 60% | 0.601 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -60.1 | -13.1 | 173.2 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | S537 L538 | T535-S537 VanDerWaalsContact C-N 3.33Å; T535-L538 HydrophobicContact CG2-CD1 4.38Å; T535-L538 WeakPolarHBondContact O-CB 3.38Å; T535-L538 PolarHBondContact O-N 3.07Å |
| 536 | S | 87 | Confident | 89.9 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.9 | -20.6 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | S534 L538 | S534-S536 WeakPolarHBondContact CB-OG 3.47Å; S534-S536 PolarHBondContact O-N 3.11Å; S534-S536 PolarHBondContact OG-N 3.25Å; S534-S536 PolarHBondContact OG-OG 2.95Å; S536-L538 VanDerWaalsContact C-N 3.32Å |
| 537 | S | 90 | Very high | 89.4 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -81.2 | -15.6 | 173.6 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | D519 N520 E521 S534 T535 | D519-S537 PolarHBondContact OD1-OG 2.97Å; N520-S537 WeakPolarHBondContact CB-O 3.33Å; N520-S537 PolarHBondContact N-O 3.03Å; N520-S537 PolarHBondContact ND2-O 3.41Å; E521-S537 WeakPolarHBondContact OE1-CB 3.42Å; S534-S537 PolarHBondContact O-N 2.95Å; S534-S537 PolarHBondContact O-OG 3.22Å; T535-S537 VanDerWaalsContact C-N 3.33Å |
| 538 | L | 95.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 150.5 | -175.5 | -58.1 | -176.6 | 0 | 0 | 0 | 112.3 | L429 A517 W518 D519 V526 H531 T535 S536 | L429-L538 HydrophobicContact CD1-CB 3.63Å; L429-L538 HydrophobicContact CD2-CD1 4.48Å; A517-L538 HydrophobicContact CB-CB 4.03Å; A517-L538 HydrophobicContact CB-CD1 4.42Å; W518-L538 CarbonylContact O-C 3.48Å; W518-L538 WeakPolarHBondContact O-CA 3.42Å; D519-L538 HydrophobicContact CB-CD2 3.81Å; V526-L538 HydrophobicContact CG2-CD2 3.81Å; H531-L538 HydrophobicContact CB-CD1 4.42Å; T535-L538 HydrophobicContact CG2-CD1 4.38Å; T535-L538 WeakPolarHBondContact O-CB 3.38Å; T535-L538 PolarHBondContact O-N 3.07Å; S536-L538 VanDerWaalsContact C-N 3.32Å |
| 539 | S | 94 | Very high | 88.2 | Confident | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 129.7 | 177.6 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | Q505 L509 W518 N520 | Q505-S539 PolarHBondContact NE2-OG 2.85Å; L509-S539 WeakPolarHBondContact CD2-O 3.26Å; W518-S539 PolarHBondContact N-O 3.2Å; W518-S539 PolarHBondContact O-N 3.3Å; W518-S539 PolarHBondContact O-OG 2.95Å; N520-S539 PolarHBondContact ND2-OG 3.33Å |
| 540 | Q | 95.2 | Very high | 87.4 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | trans | -139.7 | 155.3 | -180 | -165.2 | -176.6 | 53.8 | 0 | 0 | 108.5 | L429 D513 P514 C516 A517 L542 R546 | L429-Q540 HydrophobicContact CB-CB 4.25Å; L429-Q540 HydrophobicContact CD1-CB 3.82Å; L429-Q540 HydrophobicContact CG-CB 4.09Å; D513-Q540 PolarHBondContact O-NE2 3.33Å; P514-Q540 PolarHBondContact O-NE2 2.7Å; C516-Q540 PolarHBondContact O-NE2 3.15Å; A517-Q540 HydrophobicContact CB-CB 4.33Å; Q540-L542 HydrophobicContact CG-CD2 3.79Å; Q540-L542 HydrophobicContact CG-CG 3.94Å; Q540-R546 PolarHBondContact O-NH2 3.35Å | ||
| 541 | D | 93.1 | Very high | 86.6 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | trans | -153.3 | 68.5 | 177.7 | -169.8 | 10.5 | 0 | 0 | 0 | 112.3 | L509 M543 L544 D545 R546 F547 | L509-D541 HydrophobicContact CD2-CB 4.22Å; D541-M543 PolarHBondContact O-N 2.91Å; D541-L544 PolarHBondContact O-N 2.04Å; D541-L544 PolarHBondContact OD1-N 2.81Å; D541-L544 WeakPolarHBondContact OD2-CA 3.49Å; D541-D545 VanDerWaalsContact CG-N 3.33Å; D541-D545 PolarHBondContact OD1-N 3.08Å; D541-D545 PolarHBondContact OD2-N 2.85Å; D541-D545 VanDerWaalsContact OD2-N 3.12Å; D541-R546 HydrophobicContact CB-CG 4.4Å; D541-R546 WeakPolarHBondContact OD2-CB 3.3Å; D541-R546 VanDerWaalsContact OD2-CG 3.22Å; D541-R546 WeakPolarHBondContact OD2-CG 3.41Å; D541-R546 PolarHBondContact OD2-N 2.92Å; D541-F547 WeakPolarHBondContact OD2-CD2 3.42Å | ||
| 542 | L | 93.8 | Very high | 85.9 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.3 | -174.6 | -55.7 | 177.9 | 0 | 0 | 0 | 113.4 | Y434 L450 L452 R512 P514 Q540 | Y434-L542 HydrophobicContact CD2-CD1 3.7Å; Y434-L542 HydrophobicContact CE1-CB 4.4Å; Y434-L542 HydrophobicContact CE1-CD1 4.43Å; Y434-L542 HydrophobicContact CE2-CD1 3.46Å; Y434-L542 VanDerWaalsContact CE2-CD1 3.46Å; Y434-L542 HydrophobicContact CG-CD1 4.31Å; L450-L542 HydrophobicContact CD2-CD2 4.47Å; L452-L542 WeakPolarHBondContact CD2-O 3.39Å; R512-L542 VanDerWaalsContact C-CD2 3.47Å; R512-L542 PolarHBondContact NE-O 2.85Å; R512-L542 PolarHBondContact NH2-O 3.08Å; R512-L542 WeakPolarHBondContact O-CD2 3.46Å; P514-L542 HydrophobicContact CB-CD1 4.08Å; P514-L542 HydrophobicContact CB-CD2 4.5Å; Q540-L542 HydrophobicContact CG-CD2 3.79Å; Q540-L542 HydrophobicContact CG-CG 3.94Å |
| 543 | M | 91.2 | Very high | 85.1 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 38% | 0.384 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.3 | 177.9 | -61.6 | -56 | -61.2 | 0 | 0 | 113.7 | Y434 L452 D541 D545 | Y434-M543 HydrophobicContact CE1-SD 4.19Å; L452-M543 HydrophobicContact CD2-SD 3.63Å; D541-M543 PolarHBondContact O-N 2.91Å; M543-D545 HydrophobicContact CB-CB 4.35Å; M543-D545 PolarHBondContact O-N 2.93Å |
| 544 | L | 89.9 | Confident | 84.9 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | trans | 52.2 | 35.9 | -170.9 | -57.9 | -179.9 | 0 | 0 | 0 | 113 | L510 R512 D541 R546 F547 S548 Q640 | L510-L544 HydrophobicContact CD2-CD2 4.05Å; R512-L544 HydrophobicContact CG-CD2 3.95Å; R512-L544 HydrophobicContact CG-CG 4.2Å; D541-L544 PolarHBondContact O-N 2.04Å; D541-L544 PolarHBondContact OD1-N 2.81Å; D541-L544 WeakPolarHBondContact OD2-CA 3.49Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.01Å; L544-F547 HydrophobicContact CB-CB 4.35Å; L544-F547 HydrophobicContact CB-CD2 4.15Å; L544-F547 HydrophobicContact CD2-CD2 3.71Å; L544-F547 HydrophobicContact CD2-CE2 3.84Å; L544-F547 HydrophobicContact CD2-CG 4.46Å; L544-F547 PolarHBondContact O-N 3.47Å; L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 3.24Å; L544-S548 PolarHBondContact O-OG 2.69Å; L544-Q640 HydrophobicContact CD1-CG 4.25Å | ||
| 545 | D | 85.9 | Confident | 83.8 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.4 | -26.6 | -172.6 | -137.1 | -18.3 | 0 | 0 | 0 | 111.5 | D541 M543 R549 | D541-D545 VanDerWaalsContact CG-N 3.33Å; D541-D545 PolarHBondContact OD1-N 3.08Å; D541-D545 PolarHBondContact OD2-N 2.85Å; D541-D545 VanDerWaalsContact OD2-N 3.12Å; M543-D545 HydrophobicContact CB-CB 4.35Å; M543-D545 PolarHBondContact O-N 2.93Å; D545-R549 WeakPolarHBondContact O-CB 3.48Å; D545-R549 WeakPolarHBondContact O-CD 3.09Å; D545-R549 WeakPolarHBondContact O-CG 3.45Å; D545-R549 PolarHBondContact O-N 2.8Å; D545-R549 IonicContact OD1-CZ 3.13Å; D545-R549 IonicContact OD1-NE 2.71Å; D545-R549 PolarHBondContact OD1-NE 2.72Å; D545-R549 IonicContact OD1-NH2 2.73Å; D545-R549 PolarHBondContact OD1-NH2 3.25Å; D545-R549 IonicContact OD2-CZ 3.79Å; D545-R549 IonicContact OD2-NH2 3.2Å; D545-R549 PolarHBondContact OD2-NH2 2.82Å |
| 546 | R | 83.7 | Confident | 83.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74.9 | -39.2 | 172.8 | -54.2 | 173.1 | -165.8 | -135 | 3.7 | 111.1 | Q540 D541 L544 G550 K551 A552 | Q540-R546 PolarHBondContact O-NH2 3.35Å; D541-R546 HydrophobicContact CB-CG 4.4Å; D541-R546 WeakPolarHBondContact OD2-CB 3.3Å; D541-R546 VanDerWaalsContact OD2-CG 3.22Å; D541-R546 WeakPolarHBondContact OD2-CG 3.41Å; D541-R546 PolarHBondContact OD2-N 2.92Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.01Å; R546-G550 PolarHBondContact O-N 3.13Å; R546-K551 CarbonylContact O-C 3.56Å; R546-K551 WeakPolarHBondContact O-CA 3.48Å; R546-K551 PolarHBondContact O-N 2.93Å; R546-A552 HydrophobicContact CB-CB 4.06Å; R546-A552 PolarHBondContact O-N 2.63Å |
| 547 | F | 85.4 | Confident | 82.3 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.9 | -52.9 | 178.6 | -62.2 | -97.7 | 0 | 0 | 0 | 110.5 | L509 L510 D541 L544 R549 G550 A552 F554 Q640 V642 | L509-F547 HydrophobicContact CB-CE2 4Å; L509-F547 HydrophobicContact CB-CZ 4.01Å; L509-F547 HydrophobicContact CD1-CZ 4.49Å; L510-F547 HydrophobicContact CD1-CE1 4.36Å; L510-F547 HydrophobicContact CD2-CD1 4.13Å; L510-F547 HydrophobicContact CD2-CE1 3.68Å; L510-F547 HydrophobicContact CD2-CE2 4.3Å; L510-F547 HydrophobicContact CD2-CZ 3.78Å; L510-F547 HydrophobicContact CG-CE1 3.96Å; L510-F547 HydrophobicContact CG-CZ 3.84Å; D541-F547 WeakPolarHBondContact OD2-CD2 3.42Å; L544-F547 HydrophobicContact CB-CB 4.35Å; L544-F547 HydrophobicContact CB-CD2 4.15Å; L544-F547 HydrophobicContact CD2-CD2 3.71Å; L544-F547 HydrophobicContact CD2-CE2 3.84Å; L544-F547 HydrophobicContact CD2-CG 4.46Å; L544-F547 PolarHBondContact O-N 3.47Å; F547-R549 PolarHBondContact O-N 3.14Å; F547-R549 VanDerWaalsContact O-N 3.1Å; F547-G550 PolarHBondContact O-N 3.14Å; F547-A552 HydrophobicContact CB-CB 4.4Å; F547-A552 HydrophobicContact CD1-CB 3.68Å; F547-A552 HydrophobicContact CD2-CB 4.1Å; F547-A552 HydrophobicContact CE1-CB 3.89Å; F547-A552 HydrophobicContact CE2-CB 4.29Å; F547-A552 HydrophobicContact CG-CB 3.79Å; F547-A552 HydrophobicContact CZ-CB 4.19Å; F547-F554 HydrophobicContact CE1-CE2 4.09Å; F547-F554 HydrophobicContact CZ-CE2 4.3Å; F547-Q640 HydrophobicContact CD1-CB 4.11Å; F547-V642 HydrophobicContact CD1-CG2 4.39Å; F547-V642 HydrophobicContact CE1-CG2 3.82Å |
| 548 | S | 81.9 | Confident | 81.8 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.1 | -26.7 | -178.9 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | L544 | L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 3.24Å; L544-S548 PolarHBondContact O-OG 2.69Å |
| 549 | R | 80.1 | Confident | 80.7 | Confident | 163 Ų | 163 | 72.4 Ų | 72.4 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 9.8 | 177.6 | -59.4 | 179 | -158.3 | -149 | 12.6 | 113.8 | D545 F547 K551 | D545-R549 WeakPolarHBondContact O-CB 3.48Å; D545-R549 WeakPolarHBondContact O-CD 3.09Å; D545-R549 WeakPolarHBondContact O-CG 3.45Å; D545-R549 PolarHBondContact O-N 2.8Å; D545-R549 IonicContact OD1-CZ 3.13Å; D545-R549 IonicContact OD1-NE 2.71Å; D545-R549 PolarHBondContact OD1-NE 2.72Å; D545-R549 IonicContact OD1-NH2 2.73Å; D545-R549 PolarHBondContact OD1-NH2 3.25Å; D545-R549 IonicContact OD2-CZ 3.79Å; D545-R549 IonicContact OD2-NH2 3.2Å; D545-R549 PolarHBondContact OD2-NH2 2.82Å; F547-R549 PolarHBondContact O-N 3.14Å; F547-R549 VanDerWaalsContact O-N 3.1Å; R549-K551 HydrophobicContact CB-CG 4.27Å; R549-K551 PolarHBondContact O-N 2.86Å |
| 550 | G | 74.4 | Confident | 79.6 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 19.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R546 F547 | R546-G550 PolarHBondContact O-N 3.13Å; F547-G550 PolarHBondContact O-N 3.14Å |
| 551 | K | 72.3 | Confident | 77.9 | Confident | 162 Ų | 162 | 76.8 Ų | 76.8 | 70% | 0.704 | 40% | 0.399 | S | S | * | . | trans | -89.9 | -24.3 | 179.6 | -65.2 | -169.7 | 175.7 | -170.3 | 0 | 112.9 | R546 R549 K553 | R546-K551 CarbonylContact O-C 3.56Å; R546-K551 WeakPolarHBondContact O-CA 3.48Å; R546-K551 PolarHBondContact O-N 2.93Å; R549-K551 HydrophobicContact CB-CG 4.27Å; R549-K551 PolarHBondContact O-N 2.86Å; K551-K553 VanDerWaalsContact C-N 3.27Å; K551-K553 PolarHBondContact O-N 3.39Å | ||
| 552 | A | 74.6 | Confident | 76.5 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | trans | -77 | 77.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | R546 F547 F554 | R546-A552 HydrophobicContact CB-CB 4.06Å; R546-A552 PolarHBondContact O-N 2.63Å; F547-A552 HydrophobicContact CB-CB 4.4Å; F547-A552 HydrophobicContact CD1-CB 3.68Å; F547-A552 HydrophobicContact CD2-CB 4.1Å; F547-A552 HydrophobicContact CE1-CB 3.89Å; F547-A552 HydrophobicContact CE2-CB 4.29Å; F547-A552 HydrophobicContact CG-CB 3.79Å; F547-A552 HydrophobicContact CZ-CB 4.19Å; A552-F554 HydrophobicContact CB-CE2 4.06Å | ||
| 553 | K | 67.5 | Low | 74.7 | Confident | 149 Ų | 149 | 82.4 Ų | 82.4 | 65% | 0.648 | 44% | 0.437 | S | S | * | . | trans | -93 | 115.3 | 175.6 | -71.3 | -164.8 | 174.1 | -168.1 | 0 | 110.9 | K551 | K551-K553 VanDerWaalsContact C-N 3.27Å; K551-K553 PolarHBondContact O-N 3.39Å | ||
| 554 | F | 77.4 | Confident | 73.2 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | trans | -115.4 | 73.9 | 171.8 | -60 | -71 | 0 | 0 | 0 | 108.2 | Q505 P506 L509 F547 A552 K556 V642 | Q505-F554 HydrophobicContact CG-CE1 4.46Å; P506-F554 HydrophobicContact CB-CD2 4.19Å; P506-F554 HydrophobicContact CB-CE2 3.85Å; P506-F554 HydrophobicContact CB-CZ 4.03Å; P506-F554 HydrophobicContact CG-CD1 3.88Å; P506-F554 HydrophobicContact CG-CD2 4.04Å; P506-F554 HydrophobicContact CG-CE1 3.77Å; P506-F554 HydrophobicContact CG-CE2 3.92Å; P506-F554 HydrophobicContact CG-CG 4.01Å; P506-F554 HydrophobicContact CG-CZ 3.79Å; L509-F554 HydrophobicContact CD1-CZ 4.49Å; F547-F554 HydrophobicContact CE1-CE2 4.09Å; F547-F554 HydrophobicContact CZ-CE2 4.3Å; A552-F554 HydrophobicContact CB-CE2 4.06Å; F554-K556 PolarHBondContact O-N 2.84Å; F554-V642 HydrophobicContact CB-CG1 4.47Å; F554-V642 HydrophobicContact CD2-CG1 4.2Å; F554-V642 HydrophobicContact CD2-CG2 3.72Å; F554-V642 HydrophobicContact CE2-CG2 4.18Å | ||
| 555 | D | 61.1 | Low | 72 | Confident | 140 Ų | 140 | 84.6 Ų | 84.6 | 75% | 0.749 | 45% | 0.447 | S | S | * | . | trans | -65.6 | 3.8 | -169.5 | -56.9 | -38.5 | 0 | 0 | 0 | 114.8 | ||||
| 556 | K | 72.1 | Confident | 70.9 | Confident | 174 Ų | 174 | 85.6 Ų | 85.6 | 76% | 0.757 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -135.5 | 138.8 | 173.6 | -65.8 | -175 | -179.5 | -179.3 | 0 | 109.5 | F554 V558 | F554-K556 PolarHBondContact O-N 2.84Å; K556-V558 PolarHBondContact O-N 2.79Å |
| 557 | P | 70.2 | Confident | 70.6 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -58 | 134.5 | 175.7 | -23.2 | 33.1 | 0 | 0 | 0 | 112 | S559 Y636 K643 | P557-S559 PolarHBondContact O-N 3.39Å; P557-Y636 HydrophobicContact CB-CD1 3.91Å; P557-Y636 HydrophobicContact CB-CE1 3.47Å; P557-Y636 VanDerWaalsContact CB-CE1 3.47Å; P557-Y636 HydrophobicContact CG-CD1 4.46Å; P557-Y636 HydrophobicContact CG-CE1 3.79Å; P557-K643 VanDerWaalsContact CA-O 3.32Å; P557-K643 WeakPolarHBondContact CA-O 3.46Å |
| 558 | V | 79.3 | Confident | 70.6 | Confident | 31 Ų | 31 | 91.6 Ų | 91.6 | 19% | 0.188 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.3 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | P506 K556 K643 F644 Q645 | P506-V558 HydrophobicContact CG-CG2 3.89Å; K556-V558 PolarHBondContact O-N 2.79Å; V558-K643 PolarHBondContact N-O 3.33Å; V558-F644 HydrophobicContact CB-CD1 4.08Å; V558-F644 HydrophobicContact CG1-CD1 4.13Å; V558-F644 HydrophobicContact CG1-CE1 4.45Å; V558-F644 CarbonylContact O-C 3.6Å; V558-F644 VanDerWaalsContact O-CA 3.28Å; V558-F644 WeakPolarHBondContact O-CA 3.41Å; V558-Q645 PolarHBondContact O-N 3.01Å |
| 559 | S | 71.6 | Confident | 71 | Confident | 76 Ų | 76 | 91 Ų | 91 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.6 | 172.5 | -64 | 0 | 0 | 0 | 0 | 109.9 | P557 Q645 | P557-S559 PolarHBondContact O-N 3.39Å; S559-Q645 PolarHBondContact OG-NE2 3.22Å |
| 560 | I | 70.8 | Confident | 71.6 | Confident | 27 Ų | 27 | 89.6 Ų | 89.6 | 14% | 0.138 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 131.1 | 175.1 | -57.5 | 165.5 | 0 | 0 | 0 | 108.5 | S562 V586 F644 T646 | I560-S562 PolarHBondContact O-N 3.07Å; I560-V586 HydrophobicContact CD1-CG1 3.4Å; I560-V586 HydrophobicContact CG1-CG1 4.08Å; I560-F644 HydrophobicContact CG1-CB 4.46Å; I560-T646 HydrophobicContact CD1-CG2 3.46Å; I560-T646 VanDerWaalsContact CD1-CG2 3.46Å |
| 561 | P | 59.7 | Low | 72.4 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -75.7 | 69.7 | 177.6 | 32.2 | -36 | 0 | 0 | 0 | 111.8 | Q503 | Q503-P561 HydrophobicContact CB-CG 3.81Å; Q503-P561 HydrophobicContact CG-CG 4.48Å |
| 562 | S | 63.3 | Low | 73.3 | Confident | 28 Ų | 28 | 86.2 Ų | 86.2 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | trans | -130.1 | 132.4 | 172.8 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | I560 E564 H565 S566 | I560-S562 PolarHBondContact O-N 3.07Å; S562-E564 VanDerWaalsContact C-N 3.25Å; S562-E564 PolarHBondContact O-N 3.17Å; S562-H565 VanDerWaalsContact CB-ND1 3.32Å; S562-H565 WeakPolarHBondContact CB-ND1 3.27Å; S562-H565 PolarHBondContact O-N 3.16Å; S562-H565 PolarHBondContact OG-ND1 2.8Å; S562-S566 PolarHBondContact O-N 3.29Å | ||
| 563 | P | 56.4 | Low | 74 | Confident | 110 Ų | 110 | 85.6 Ų | 85.6 | 71% | 0.714 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -38.4 | 178.6 | -26.2 | 34.9 | 0 | 0 | 0 | 113.1 | S566 | P563-S566 PolarHBondContact O-OG 2.84Š|
| 564 | E | 60.4 | Low | 75 | Confident | 118 Ų | 118 | 80.7 Ų | 80.7 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -48 | -179 | -56.4 | -160.6 | 132.9 | 0 | 0 | 112.1 | S562 S566 R567 | S562-E564 VanDerWaalsContact C-N 3.25Å; S562-E564 PolarHBondContact O-N 3.17Å; E564-S566 PolarHBondContact O-N 2.91Å; E564-R567 WeakPolarHBondContact O-CB 3.36Å; E564-R567 PolarHBondContact O-N 3.06Å |
| 565 | H | 63.8 | Low | 75.6 | Confident | 22 Ų | 22 | 81 Ų | 81 | 10% | 0.102 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.4 | -177.5 | -67.5 | 72.9 | 0 | 0 | 0 | 113 | S562 T646 | S562-H565 VanDerWaalsContact CB-ND1 3.32Å; S562-H565 WeakPolarHBondContact CB-ND1 3.27Å; S562-H565 PolarHBondContact O-N 3.16Å; S562-H565 PolarHBondContact OG-ND1 2.8Å; H565-T646 WeakPolarHBondContact CA-O 3.12Å; H565-T646 WeakPolarHBondContact CB-O 3.47Å; H565-T646 PolarHBondContact CD2-O 3.19Å |
| 566 | S | 63.3 | Low | 76.8 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 54% | 0.538 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.9 | 174.6 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | S562 P563 E564 | S562-S566 PolarHBondContact O-N 3.29Å; P563-S566 PolarHBondContact O-OG 2.84Å; E564-S566 PolarHBondContact O-N 2.91Å |
| 567 | R | 77.4 | Confident | 77.6 | Confident | 182 Ų | 182 | 70.8 Ų | 70.8 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -82.4 | 128.5 | -167.8 | -173.3 | 176.7 | -179.9 | 177.7 | 1 | 111.6 | E564 R569 | E564-R567 WeakPolarHBondContact O-CB 3.36Å; E564-R567 PolarHBondContact O-N 3.06Å; R567-R569 PolarHBondContact O-N 2.95Å |
| 568 | L | 85.3 | Confident | 78.5 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 40% | 0.398 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 118.6 | 167.8 | -171.4 | 66.3 | 0 | 0 | 0 | 109.7 | R648 Q650 | L568-R648 WeakPolarHBondContact CA-O 3.45Å; L568-R648 HydrophobicContact CD1-CB 4.05Å; L568-Q650 HydrophobicContact CD1-CB 4.14Å; L568-Q650 HydrophobicContact CD2-CB 4.16Å; L568-Q650 HydrophobicContact CG-CB 4.16Å |
| 569 | R | 90.1 | Very high | 79.1 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.5 | 177.4 | -56.7 | -178.1 | -167.4 | -112.7 | 8.3 | 109.6 | R567 E647 R648 Y649 Q650 | R567-R569 PolarHBondContact O-N 2.95Å; R569-E647 IonicContact CZ-OE1 3.68Å; R569-E647 IonicContact CZ-OE2 2.86Å; R569-E647 IonicContact NE-OE1 2.7Å; R569-E647 IonicContact NE-OE2 3.18Å; R569-E647 PolarHBondContact NE-OE2 2.75Å; R569-E647 VanDerWaalsContact NH2-CD 3.33Å; R569-E647 IonicContact NH2-OE1 3.54Å; R569-E647 PolarHBondContact NH2-OE1 2.9Å; R569-E647 IonicContact NH2-OE2 3.37Å; R569-E647 PolarHBondContact NH2-OE2 2.69Å; R569-R648 PolarHBondContact N-O 2.84Å; R569-Y649 HydrophobicContact CB-CD1 3.68Å; R569-Y649 HydrophobicContact CB-CE1 3.91Å; R569-Y649 HydrophobicContact CG-CD1 4.47Å; R569-Y649 HydrophobicContact CG-CE1 4.29Å; R569-Y649 CarbonylContact O-C 3.6Å; R569-Y649 VanDerWaalsContact O-CA 3.23Å; R569-Y649 WeakPolarHBondContact O-CA 3.41Å; R569-Q650 PolarHBondContact O-N 3.11Å |
| 570 | N | 92.1 | Very high | 80.1 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 133.4 | 175.7 | -65.5 | -5.1 | 0 | 0 | 0 | 109.9 | Q650 | N570-Q650 WeakPolarHBondContact CA-O 3.36Å |
| 571 | V | 91.6 | Very high | 81.2 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.2 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | V573 L581 Y649 Q650 V651 A652 | V571-V573 HydrophobicContact CG1-CG2 3.9Å; V571-L581 HydrophobicContact CG1-CD2 4.35Å; V571-L581 HydrophobicContact CG2-CD2 4.13Å; V571-Y649 HydrophobicContact CG2-CD1 3.71Å; V571-Y649 HydrophobicContact CG2-CE1 4.44Å; V571-Q650 PolarHBondContact N-O 2.89Å; V571-V651 CarbonylContact O-C 3.48Å; V571-V651 WeakPolarHBondContact O-CA 3.28Å; V571-A652 PolarHBondContact O-N 3.3Å |
| 572 | T | 91.1 | Very high | 82.8 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 61% | 0.607 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.8 | 174.6 | 48.5 | 0 | 0 | 0 | 0 | 110 | A652 | T572-A652 WeakPolarHBondContact CA-O 3.49Å; T572-A652 HydrophobicContact CG2-CB 4.46Å |
| 573 | V | 89.8 | Confident | 84 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 9% | 0.085 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.6 | -178.6 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | V571 M579 A625 A652 V653 V654 | V571-V573 HydrophobicContact CG1-CG2 3.9Å; V573-M579 HydrophobicContact CG1-CB 4.37Å; V573-M579 HydrophobicContact CG2-CB 4.17Å; V573-M579 HydrophobicContact CG2-CG 3.96Å; V573-M579 HydrophobicContact CG2-SD 4Å; V573-A625 HydrophobicContact CB-CB 4.5Å; V573-A625 HydrophobicContact CG1-CB 3.77Å; V573-A652 PolarHBondContact N-O 2.82Å; V573-V653 CarbonylContact O-C 3.59Å; V573-V653 VanDerWaalsContact O-CA 3.3Å; V573-V653 WeakPolarHBondContact O-CA 3.44Å; V573-V654 WeakPolarHBondContact O-CG2 3.29Å; V573-V654 PolarHBondContact O-N 2.71Å |
| 574 | V | 89.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 143 | 175.7 | -175 | 0 | 0 | 0 | 0 | 109.7 | G576 S577 V654 A657 | V574-G576 PolarHBondContact O-N 2.94Å; V574-S577 VanDerWaalsContact O-CB 3.27Å; V574-S577 WeakPolarHBondContact O-CB 3.48Å; V574-S577 PolarHBondContact O-N 2.99Å; V574-S577 PolarHBondContact O-OG 3.39Å; V574-V654 CarbonylContact C-O 3.53Å; V574-V654 WeakPolarHBondContact CA-O 3.45Å; V574-V654 HydrophobicContact CG2-CG2 4.42Å; V574-A657 HydrophobicContact CG2-CB 3.97Å |
| 575 | V | 89.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 42% | 0.418 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 131.2 | 177.9 | 169.4 | 0 | 0 | 0 | 0 | 111 | S577 A625 Q627 V653 V654 | V575-S577 VanDerWaalsContact C-N 3.31Å; V575-S577 PolarHBondContact O-N 3.23Å; V575-A625 CarbonylContact C-O 3.55Å; V575-A625 VanDerWaalsContact CA-O 3.25Å; V575-A625 WeakPolarHBondContact CA-O 3.26Å; V575-Q627 HydrophobicContact CG2-CG 4.48Å; V575-V653 HydrophobicContact CG2-CG1 3.73Å; V575-V654 PolarHBondContact N-O 3.42Å |
| 576 | G | 85 | Confident | 88.1 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 2.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V574 A625 | V574-G576 PolarHBondContact O-N 2.94Å; G576-A625 PolarHBondContact N-O 2.77Å |
| 577 | S | 89.3 | Confident | 89.5 | Confident | 53 Ų | 53 | 59 Ų | 59 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -89.2 | 144.6 | 171.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | V574 V575 M579 A625 | V574-S577 VanDerWaalsContact O-CB 3.27Å; V574-S577 WeakPolarHBondContact O-CB 3.48Å; V574-S577 PolarHBondContact O-N 2.99Å; V574-S577 PolarHBondContact O-OG 3.39Å; V575-S577 VanDerWaalsContact C-N 3.31Å; V575-S577 PolarHBondContact O-N 3.23Å; S577-M579 PolarHBondContact O-N 2.82Å; S577-A625 WeakPolarHBondContact O-CB 3.46Å; S577-A625 PolarHBondContact O-N 3.24Å |
| 578 | D | 89.7 | Confident | 90.3 | Very high | 90 Ų | 90 | 53 Ų | 53 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 126.9 | 172.9 | -81.4 | 19.6 | 0 | 0 | 0 | 111.2 | P623 E624 | D578-P623 VanDerWaalsContact OD1-CA 3.22Å; D578-P623 WeakPolarHBondContact OD1-CA 3.12Å; D578-E624 PolarHBondContact OD1-N 3.25Å; D578-E624 VanDerWaalsContact OD1-N 3.13Å |
| 579 | M | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.8 | 175.4 | 179 | 172.5 | 62 | 0 | 0 | 111 | V573 S577 L581 I621 V622 A625 Y633 V651 | V573-M579 HydrophobicContact CG1-CB 4.37Å; V573-M579 HydrophobicContact CG2-CB 4.17Å; V573-M579 HydrophobicContact CG2-CG 3.96Å; V573-M579 HydrophobicContact CG2-SD 4Å; S577-M579 PolarHBondContact O-N 2.82Å; M579-L581 HydrophobicContact CE-CD1 4Å; M579-L581 HydrophobicContact CE-CG 4.31Å; M579-L581 HydrophobicContact CG-CD2 3.92Å; M579-L581 HydrophobicContact CG-CG 3.91Å; M579-L581 HydrophobicContact SD-CD1 3.99Å; M579-L581 HydrophobicContact SD-CD2 3.91Å; M579-L581 HydrophobicContact SD-CG 3.94Å; M579-I621 WeakPolarHBondContact O-CA 3.29Å; M579-V622 HydrophobicContact CB-CB 4.33Å; M579-V622 HydrophobicContact CE-CB 3.93Å; M579-V622 HydrophobicContact CE-CG2 3.64Å; M579-V622 PolarHBondContact N-O 2.99Å; M579-V622 PolarHBondContact O-N 3.45Å; M579-A625 HydrophobicContact CB-CB 4.45Å; M579-Y633 HydrophobicContact CE-CE1 3.86Å; M579-Y633 HydrophobicContact CE-CE2 4.3Å; M579-V651 HydrophobicContact CE-CG1 4.36Å; M579-V651 HydrophobicContact CE-CG2 4.38Å; M579-V651 HydrophobicContact SD-CB 4.24Å; M579-V651 HydrophobicContact SD-CG1 3.52Å; M579-V651 VanDerWaalsContact SD-CG1 3.52Å; M579-V651 HydrophobicContact SD-CG2 3.64Å |
| 580 | V | 93.1 | Very high | 90.7 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 47% | 0.473 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111.4 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | A619 L620 I621 | V580-A619 HydrophobicContact CG1-CB 3.79Å; V580-L620 WeakPolarHBondContact CA-O 3.32Å; V580-I621 HydrophobicContact CB-CD1 4.33Å; V580-I621 HydrophobicContact CG1-CD1 3.89Å; V580-I621 HydrophobicContact CG2-CD1 3.89Å |
| 581 | L | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 105.6 | 175.2 | -57.3 | -175.8 | 0 | 0 | 0 | 109.8 | V571 M579 W594 A619 L620 Y633 Y649 V651 | V571-L581 HydrophobicContact CG1-CD2 4.35Å; V571-L581 HydrophobicContact CG2-CD2 4.13Å; M579-L581 HydrophobicContact CE-CD1 4Å; M579-L581 HydrophobicContact CE-CG 4.31Å; M579-L581 HydrophobicContact CG-CD2 3.92Å; M579-L581 HydrophobicContact CG-CG 3.91Å; M579-L581 HydrophobicContact SD-CD1 3.99Å; M579-L581 HydrophobicContact SD-CD2 3.91Å; M579-L581 HydrophobicContact SD-CG 3.94Å; L581-W594 HydrophobicContact CB-CH2 3.75Å; L581-W594 HydrophobicContact CB-CZ3 4.28Å; L581-W594 HydrophobicContact CD1-CZ3 4.26Å; L581-A619 CarbonylContact O-C 3.47Å; L581-A619 WeakPolarHBondContact O-CA 3.04Å; L581-L620 HydrophobicContact CB-CB 4.42Å; L581-L620 PolarHBondContact N-O 2.91Å; L581-L620 PolarHBondContact O-N 3.08Å; L581-Y633 HydrophobicContact CD1-CD1 3.49Å; L581-Y633 VanDerWaalsContact CD1-CD1 3.49Å; L581-Y633 HydrophobicContact CD1-CD2 4.38Å; L581-Y633 HydrophobicContact CD1-CE1 4.1Å; L581-Y633 HydrophobicContact CD1-CG 3.68Å; L581-Y649 HydrophobicContact CB-CD2 4.22Å; L581-Y649 HydrophobicContact CB-CE2 4.1Å; L581-Y649 HydrophobicContact CD1-CD2 4.2Å; L581-Y649 HydrophobicContact CD1-CG 4.25Å; L581-Y649 HydrophobicContact CD2-CD1 3.88Å; L581-Y649 HydrophobicContact CD2-CD2 4.45Å; L581-Y649 HydrophobicContact CD2-CE1 4.26Å; L581-Y649 HydrophobicContact CD2-CG 4Å; L581-V651 HydrophobicContact CD1-CG2 4.06Å; L581-V651 HydrophobicContact CD2-CG2 4.38Å |
| 582 | P | 92.8 | Very high | 90.7 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 156 | 174 | -27.3 | 35.6 | 0 | 0 | 0 | 113.4 | Y649 | P582-Y649 WeakPolarHBondContact O-CE2 3.44Å; P582-Y649 PolarHBondContact O-OH 3.02Å |
| 583 | C | 90.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | trans | -151.1 | 117.3 | 166.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | W594 F613 K618 C635 T646 | C583-W594 HydrophobicContact CB-CH2 4.14Å; C583-W594 HydrophobicContact CB-CZ2 3.52Å; C583-F613 HydrophobicContact CB-CE2 4.17Å; C583-K618 PolarHBondContact N-O 3.47Å; C583-C635 HydrophobicContact CB-CB 3.63Å; C583-C635 WeakPolarHBondContact CB-SG 3.41Å; C583-C635 WeakPolarHBondContact SG-CB 3.35Å; C583-C635 CovalentContact SG-SG 2.02Å; C583-C635 PolarHBondContact SG-SG 3.44Å; C583-T646 PolarHBondContact SG-OG1 2.87Å | ||
| 584 | Q | 87.6 | Confident | 90.9 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | trans | -72.9 | 130.2 | 171.2 | -53.3 | -164.3 | 37.3 | 0 | 0 | 108.9 | T646 | Q584-T646 WeakPolarHBondContact O-CB 3.49Å; Q584-T646 WeakPolarHBondContact O-CG2 3.42Å; Q584-T646 PolarHBondContact O-OG1 2.87Å | ||
| 585 | L | 89.6 | Confident | 91.1 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | trans | -101.6 | 138.2 | 174.4 | -59.6 | 177.5 | 0 | 0 | 0 | 108.8 | S587 P592 F613 S637 | L585-S587 PolarHBondContact O-N 2.82Å; L585-P592 HydrophobicContact CD2-CB 4.3Å; L585-F613 HydrophobicContact CD1-CE1 4.34Å; L585-F613 HydrophobicContact CD1-CZ 4.25Å; L585-S637 WeakPolarHBondContact CA-OG 3.43Å | ||
| 586 | V | 89.3 | Confident | 91.2 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -72.8 | -15.7 | -175.1 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | K29 I560 S637 F644 T646 | K29-V586 VanDerWaalsContact CE-O 3.29Å; K29-V586 WeakPolarHBondContact CE-O 3.45Å; I560-V586 HydrophobicContact CD1-CG1 3.4Å; I560-V586 HydrophobicContact CG1-CG1 4.08Å; V586-S637 PolarHBondContact N-OG 2.98Å; V586-S637 VanDerWaalsContact N-OG 3.09Å; V586-F644 HydrophobicContact CG1-CB 3.89Å; V586-F644 HydrophobicContact CG1-CG 4.11Å; V586-F644 HydrophobicContact CG2-CB 4.38Å; V586-F644 HydrophobicContact CG2-CD2 3.55Å; V586-F644 HydrophobicContact CG2-CE2 3.83Å; V586-F644 HydrophobicContact CG2-CG 3.94Å; V586-F644 HydrophobicContact CG2-CZ 4.43Å; V586-T646 HydrophobicContact CG1-CG2 4.28Å |
| 587 | S | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -149.8 | 142.6 | -174.5 | 161.9 | 0 | 0 | 0 | 0 | 108.3 | R28 L585 L589 A590 E639 | R28-S587 WeakPolarHBondContact CG-OG 3.29Å; R28-S587 CarbonylContact O-C 3.59Å; R28-S587 VanDerWaalsContact O-CA 3.31Å; R28-S587 WeakPolarHBondContact O-CA 3.49Å; R28-S587 PolarHBondContact O-OG 3.18Å; L585-S587 PolarHBondContact O-N 2.82Å; S587-L589 PolarHBondContact O-N 3.01Å; S587-L589 WeakPolarHBondContact OG-CB 3.38Å; S587-L589 PolarHBondContact OG-N 2.89Å; S587-A590 WeakPolarHBondContact O-CB 3.47Å; S587-A590 PolarHBondContact O-N 2.87Å; S587-E639 VanDerWaalsContact CB-OE1 3.3Å; S587-E639 WeakPolarHBondContact CB-OE1 3.01Å; S587-E639 WeakPolarHBondContact CB-OE2 3.27Å; S587-E639 VanDerWaalsContact OG-CD 3.31Å; S587-E639 PolarHBondContact OG-OE1 3.27Å |
| 588 | N | 93.4 | Very high | 91.3 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.6 | 172.3 | -61.7 | -42.1 | 0 | 0 | 0 | 112.5 | V26 P27 R28 T30 | V26-N588 HydrophobicContact CG1-CB 3.66Å; P27-N588 WeakPolarHBondContact O-CB 3.34Å; P27-N588 PolarHBondContact O-ND2 3.38Å; R28-N588 PolarHBondContact O-N 2.81Å; T30-N588 PolarHBondContact OG1-ND2 2.84Å |
| 589 | L | 92.9 | Very high | 91.4 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.4 | 173 | -57.8 | 177.9 | 0 | 0 | 0 | 112.7 | V26 R28 S587 | V26-L589 HydrophobicContact CB-CD2 3.91Å; V26-L589 HydrophobicContact CG1-CD2 4.36Å; R28-L589 HydrophobicContact CB-CD1 3.98Å; R28-L589 HydrophobicContact CB-CG 4.38Å; R28-L589 HydrophobicContact CG-CD1 4.03Å; R28-L589 HydrophobicContact CG-CG 4.37Å; S587-L589 PolarHBondContact O-N 3.01Å; S587-L589 WeakPolarHBondContact OG-CB 3.38Å; S587-L589 PolarHBondContact OG-N 2.89Å |
| 590 | A | 92.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | trans | -77.2 | 155.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S587 S637 E638 E639 | S587-A590 WeakPolarHBondContact O-CB 3.47Å; S587-A590 PolarHBondContact O-N 2.87Å; A590-S637 WeakPolarHBondContact CB-OG 3.11Å; A590-E638 CarbonylContact C-O 3.5Å; A590-E638 VanDerWaalsContact CA-O 3.23Å; A590-E638 WeakPolarHBondContact CA-O 3.49Å; A590-E638 WeakPolarHBondContact CB-O 3.45Å; A590-E639 HydrophobicContact CB-CB 4.04Å | ||
| 591 | Q | 91.5 | Very high | 91.2 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 151.9 | 174.1 | -60.3 | -168.1 | 16.4 | 0 | 0 | 110.9 | E638 | Q591-E638 PolarHBondContact N-O 3.38Å; Q591-E638 PolarHBondContact O-N 2.8Å |
| 592 | P | 91.7 | Very high | 90.7 | Very high | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.7 | 174.1 | 32.6 | -35.2 | 0 | 0 | 0 | 110.5 | L585 L603 F613 | L585-P592 HydrophobicContact CD2-CB 4.3Å; P592-L603 HydrophobicContact CG-CD1 4.17Å; P592-F613 HydrophobicContact CB-CB 4.46Å; P592-F613 HydrophobicContact CB-CD1 4.25Å; P592-F613 HydrophobicContact CB-CD2 3.72Å; P592-F613 HydrophobicContact CB-CE1 4.38Å; P592-F613 HydrophobicContact CB-CE2 3.88Å; P592-F613 HydrophobicContact CB-CG 3.9Å; P592-F613 HydrophobicContact CB-CZ 4.2Å; P592-F613 HydrophobicContact CG-CB 3.81Å; P592-F613 HydrophobicContact CG-CD1 3.65Å; P592-F613 HydrophobicContact CG-CD2 3.89Å; P592-F613 HydrophobicContact CG-CE1 4.1Å; P592-F613 HydrophobicContact CG-CE2 4.33Å; P592-F613 HydrophobicContact CG-CG 3.5Å; P592-F613 HydrophobicContact CG-CZ 4.41Å |
| 593 | F | 91.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.7 | 173.3 | -179.3 | -91.4 | 0 | 0 | 0 | 109 | V595 E600 Y636 E638 K643 | F593-V595 HydrophobicContact CD1-CG2 4.19Å; F593-V595 HydrophobicContact CE1-CG2 3.57Å; F593-V595 HydrophobicContact CZ-CG2 4.42Å; F593-E600 HydrophobicContact CE2-CG 3.61Å; F593-E600 VanDerWaalsContact CE2-OE2 3.24Å; F593-E600 WeakPolarHBondContact CE2-OE2 3.47Å; F593-E600 HydrophobicContact CZ-CB 4.22Å; F593-E600 HydrophobicContact CZ-CG 3.6Å; F593-E600 VanDerWaalsContact CZ-OE2 3.22Å; F593-E600 WeakPolarHBondContact CZ-OE2 3.42Å; F593-Y636 AromaticContact CD1-CD2 3.89Å; F593-Y636 HydrophobicContact CD1-CD2 3.89Å; F593-Y636 HydrophobicContact CD1-CG 4.37Å; F593-Y636 HydrophobicContact CE1-CD2 4.48Å; F593-Y636 PolarHBondContact N-O 3.11Å; F593-Y636 PolarHBondContact O-N 3.22Å; F593-E638 HydrophobicContact CB-CB 4.29Å; F593-K643 HydrophobicContact CD1-CD 3.81Å; F593-K643 HydrophobicContact CE1-CD 4.03Å; F593-K643 VanDerWaalsContact CE1-NZ 3.33Å; F593-K643 HydrophobicContact CG-CD 4.21Å |
| 594 | W | 93.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.5 | -173.4 | -76.2 | 89.1 | 0 | 0 | 0 | 112.4 | L581 C583 L601 F613 L620 Y633 C635 Y649 | L581-W594 HydrophobicContact CB-CH2 3.75Å; L581-W594 HydrophobicContact CB-CZ3 4.28Å; L581-W594 HydrophobicContact CD1-CZ3 4.26Å; C583-W594 HydrophobicContact CB-CH2 4.14Å; C583-W594 HydrophobicContact CB-CZ2 3.52Å; W594-L601 HydrophobicContact CB-CB 3.98Å; W594-L601 HydrophobicContact CB-CD2 4.07Å; W594-L601 PolarHBondContact O-N 2.69Å; W594-F613 AromaticContact NE1-CD2 3.87Å; W594-L620 HydrophobicContact CD2-CB 4.19Å; W594-L620 HydrophobicContact CD2-CD2 3.8Å; W594-L620 HydrophobicContact CE3-CD2 3.91Å; W594-L620 HydrophobicContact CG-CD2 4.21Å; W594-L620 HydrophobicContact CH2-CB 4.02Å; W594-L620 HydrophobicContact CH2-CD2 4.43Å; W594-L620 HydrophobicContact CZ2-CB 3.43Å; W594-L620 VanDerWaalsContact CZ2-CB 3.43Å; W594-L620 HydrophobicContact CZ2-CD2 4.36Å; W594-L620 HydrophobicContact CZ3-CD2 4.23Å; W594-Y633 HydrophobicContact CE3-CD1 4.31Å; W594-Y633 HydrophobicContact CZ3-CD1 4.44Å; W594-C635 HydrophobicContact CD2-CB 3.97Å; W594-C635 VanDerWaalsContact CE2-SG 3.54Å; W594-C635 HydrophobicContact CE3-CB 3.94Å; W594-C635 HydrophobicContact CH2-CB 3.73Å; W594-C635 HydrophobicContact CZ2-CB 3.74Å; W594-C635 HydrophobicContact CZ3-CB 3.82Å; W594-Y649 HydrophobicContact CH2-CD2 4.32Å; W594-Y649 HydrophobicContact CH2-CE2 4.04Å; W594-Y649 HydrophobicContact CZ3-CD2 4.17Å; W594-Y649 HydrophobicContact CZ3-CE2 4.33Å |
| 595 | V | 92.8 | Very high | 88 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.7 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | F593 R599 Y633 I634 Y636 | F593-V595 HydrophobicContact CD1-CG2 4.19Å; F593-V595 HydrophobicContact CE1-CG2 3.57Å; F593-V595 HydrophobicContact CZ-CG2 4.42Å; V595-R599 CarbonylContact C-O 3.46Å; V595-R599 VanDerWaalsContact CA-O 3.28Å; V595-R599 WeakPolarHBondContact CA-O 3.38Å; V595-R599 WeakPolarHBondContact CG1-O 3.33Å; V595-Y633 CarbonylContact O-C 3.45Å; V595-Y633 WeakPolarHBondContact O-CA 3.48Å; V595-I634 PolarHBondContact N-O 2.81Å; V595-I634 PolarHBondContact O-N 2.72Å; V595-Y636 HydrophobicContact CB-CE2 4.08Å; V595-Y636 HydrophobicContact CG2-CD2 4.12Å; V595-Y636 HydrophobicContact CG2-CE2 3.65Å |
| 596 | V | 92 | Very high | 86.7 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.7 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | D598 R599 L601 R632 Y633 | V596-D598 PolarHBondContact O-N 3.41Å; V596-R599 PolarHBondContact N-O 3.38Å; V596-R599 PolarHBondContact O-N 2.85Å; V596-L601 HydrophobicContact CG2-CB 4.02Å; V596-L601 HydrophobicContact CG2-CD1 4.3Å; V596-L601 HydrophobicContact CG2-CD2 4.02Å; V596-L601 HydrophobicContact CG2-CG 4.35Å; V596-R632 WeakPolarHBondContact CA-O 3.33Å; V596-Y633 HydrophobicContact CG1-CD2 4.13Å; V596-Y633 HydrophobicContact CG1-CE1 4.36Å; V596-Y633 HydrophobicContact CG1-CE2 3.7Å; V596-Y633 HydrophobicContact CG2-CD1 3.45Å; V596-Y633 VanDerWaalsContact CG2-CD1 3.45Å; V596-Y633 HydrophobicContact CG2-CD2 4.22Å; V596-Y633 HydrophobicContact CG2-CE1 3.35Å; V596-Y633 HydrophobicContact CG2-CE2 4.12Å; V596-Y633 HydrophobicContact CG2-CG 3.87Å |
| 597 | N | 90.5 | Very high | 85.4 | Confident | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 44.2 | -177.9 | -61.6 | -32.9 | 0 | 0 | 0 | 112.4 | R599 A630 G631 R632 | N597-R599 PolarHBondContact O-N 3.49Å; N597-A630 PolarHBondContact ND2-O 2.95Å; N597-G631 WeakPolarHBondContact OD1-CA 3.41Å; N597-R632 PolarHBondContact N-O 3.03Å; N597-R632 PolarHBondContact OD1-N 3.07Å |
| 598 | D | 87.4 | Confident | 84.1 | Confident | 108 Ų | 108 | 77.6 Ų | 77.6 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 23.3 | -179.3 | -55.6 | -29.2 | 0 | 0 | 0 | 115.6 | V596 R632 | V596-D598 PolarHBondContact O-N 3.41Å; D598-R632 IonicContact OD1-CZ 3.66Å; D598-R632 IonicContact OD1-NE 3.93Å; D598-R632 IonicContact OD1-NH2 2.66Å; D598-R632 PolarHBondContact OD1-NH2 3.41Å; D598-R632 IonicContact OD2-CZ 3.8Å; D598-R632 IonicContact OD2-NH2 2.75Å; D598-R632 PolarHBondContact OD2-NH2 2.81Å |
| 599 | R | 90.4 | Very high | 82.9 | Confident | 201 Ų | 201 | 77.4 Ų | 77.4 | 76% | 0.758 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 147.5 | 167.7 | -60.7 | -176.8 | 179.5 | -165.4 | -1.7 | 111.1 | V595 V596 N597 | V595-R599 CarbonylContact C-O 3.46Å; V595-R599 VanDerWaalsContact CA-O 3.28Å; V595-R599 WeakPolarHBondContact CA-O 3.38Å; V595-R599 WeakPolarHBondContact CG1-O 3.33Å; V596-R599 PolarHBondContact N-O 3.38Å; V596-R599 PolarHBondContact O-N 2.85Å; N597-R599 PolarHBondContact O-N 3.49Å |
| 600 | E | 90.8 | Very high | 82.4 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.8 | 175.5 | -174.9 | 173.6 | 135.1 | 0 | 0 | 111.4 | F593 Q602 | F593-E600 HydrophobicContact CE2-CG 3.61Å; F593-E600 VanDerWaalsContact CE2-OE2 3.24Å; F593-E600 WeakPolarHBondContact CE2-OE2 3.47Å; F593-E600 HydrophobicContact CZ-CB 4.22Å; F593-E600 HydrophobicContact CZ-CG 3.6Å; F593-E600 VanDerWaalsContact CZ-OE2 3.22Å; F593-E600 WeakPolarHBondContact CZ-OE2 3.42Å; E600-Q602 PolarHBondContact OE1-NE2 3Å |
| 601 | L | 88.7 | Confident | 82.1 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 18% | 0.178 | 42% | 0.416 | C | S | . | . | trans | -89.7 | 105.7 | 174.3 | -177.9 | 68.9 | 0 | 0 | 0 | 109.2 | W594 V596 L603 P611 L620 Y633 | W594-L601 HydrophobicContact CB-CB 3.98Å; W594-L601 HydrophobicContact CB-CD2 4.07Å; W594-L601 PolarHBondContact O-N 2.69Å; V596-L601 HydrophobicContact CG2-CB 4.02Å; V596-L601 HydrophobicContact CG2-CD1 4.3Å; V596-L601 HydrophobicContact CG2-CD2 4.02Å; V596-L601 HydrophobicContact CG2-CG 4.35Å; L601-L603 HydrophobicContact CD2-CD2 4.31Å; L601-L603 PolarHBondContact O-N 3.19Å; L601-P611 HydrophobicContact CD1-CB 4.39Å; L601-P611 HydrophobicContact CD1-CG 4.17Å; L601-P611 HydrophobicContact CD2-CB 4.19Å; L601-P611 HydrophobicContact CG-CB 4.45Å; L601-L620 HydrophobicContact CD2-CD1 4.04Å; L601-L620 HydrophobicContact CD2-CD2 3.66Å; L601-Y633 HydrophobicContact CD2-CE1 4.43Å | ||
| 602 | Q | 84.3 | Confident | 82 | Confident | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 120.7 | 170.5 | -61.4 | -55.3 | -45.4 | 0 | 0 | 109.4 | E600 | E600-Q602 PolarHBondContact OE1-NE2 3Š|
| 603 | L | 81.9 | Confident | 81.9 | Confident | 63 Ų | 63 | 74 Ų | 74 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 125.5 | 175.2 | -58.8 | 178.4 | 0 | 0 | 0 | 108.6 | P592 L601 P611 F613 L620 | P592-L603 HydrophobicContact CG-CD1 4.17Å; L601-L603 HydrophobicContact CD2-CD2 4.31Å; L601-L603 PolarHBondContact O-N 3.19Å; L603-P611 CarbonylContact C-O 3.04Å; L603-P611 WeakPolarHBondContact CA-O 3.41Å; L603-F613 HydrophobicContact CD1-CB 4.06Å; L603-L620 HydrophobicContact CD2-CD1 3.56Å |
| 604 | G | 69.1 | Low | 81.8 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 163.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P611 | G604-P611 PolarHBondContact N-O 3.06Š|
| 605 | D | 63.3 | Low | 81.4 | Confident | 129 Ų | 129 | 84.1 Ų | 84.1 | 69% | 0.69 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 148.1 | 170.1 | -110.7 | -42.4 | 0 | 0 | 0 | 111.1 | E607 A608 | D605-E607 PolarHBondContact O-N 2.92Å; D605-E607 VanDerWaalsContact O-N 3.13Å; D605-A608 WeakPolarHBondContact O-CB 3.36Å; D605-A608 PolarHBondContact O-N 2.98Å |
| 606 | P | 60.7 | Low | 81 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -58 | -31 | -175.2 | -26 | 35.4 | 0 | 0 | 0 | 114.5 | A608 | P606-A608 VanDerWaalsContact C-N 3.34Š|
| 607 | E | 61.8 | Low | 80.8 | Confident | 199 Ų | 199 | 93.9 Ų | 93.9 | 93% | 0.93 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -78.5 | -16 | -179.1 | -58.4 | -173.4 | 168.2 | 0 | 0 | 113.2 | D605 G609 | D605-E607 PolarHBondContact O-N 2.92Å; D605-E607 VanDerWaalsContact O-N 3.13Å; E607-G609 VanDerWaalsContact C-N 3.31Å; E607-G609 PolarHBondContact O-N 2.99Å |
| 608 | A | 65.3 | Low | 80.7 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -85.7 | 3.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D605 P606 G610 | D605-A608 WeakPolarHBondContact O-CB 3.36Å; D605-A608 PolarHBondContact O-N 2.98Å; P606-A608 VanDerWaalsContact C-N 3.34Å; A608-G610 PolarHBondContact O-N 2.96Å; A608-G610 VanDerWaalsContact O-N 3.12Å |
| 609 | G | 69.8 | Low | 80.9 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 13 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E607 P623 | E607-G609 VanDerWaalsContact C-N 3.31Å; E607-G609 PolarHBondContact O-N 2.99Å; G609-P623 WeakPolarHBondContact O-CG 3.18Å |
| 610 | G | 81.3 | Confident | 81.1 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 19% | 0.186 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -92.5 | -177.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A608 R612 P623 | A608-G610 PolarHBondContact O-N 2.96Å; A608-G610 VanDerWaalsContact O-N 3.12Å; G610-R612 PolarHBondContact O-N 2.8Å; G610-P623 WeakPolarHBondContact O-CD 3.3Å |
| 611 | P | 86.8 | Confident | 81.1 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 23% | 0.234 | 41% | 0.411 | C | S | . | . | trans | -59.3 | 124.4 | 169 | -16.3 | 28.5 | 0 | 0 | 0 | 110.6 | L601 L603 G604 L620 I621 V622 | L601-P611 HydrophobicContact CD1-CB 4.39Å; L601-P611 HydrophobicContact CD1-CG 4.17Å; L601-P611 HydrophobicContact CD2-CB 4.19Å; L601-P611 HydrophobicContact CG-CB 4.45Å; L603-P611 CarbonylContact C-O 3.04Å; L603-P611 WeakPolarHBondContact CA-O 3.41Å; G604-P611 PolarHBondContact N-O 3.06Å; P611-L620 HydrophobicContact CB-CD1 4.23Å; P611-I621 WeakPolarHBondContact CA-O 3.26Å; P611-V622 HydrophobicContact CB-CG1 4.33Å; P611-V622 HydrophobicContact CB-CG2 4.28Å; P611-V622 HydrophobicContact CG-CG1 4.16Å | ||
| 612 | R | 89.8 | Confident | 81.2 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.8 | -176 | 64.9 | -178.4 | -175.6 | -85.1 | -0.1 | 111.3 | G610 I621 | G610-R612 PolarHBondContact O-N 2.8Å; R612-I621 HydrophobicContact CG-CB 4.05Å; R612-I621 PolarHBondContact N-O 3.24Å; R612-I621 PolarHBondContact O-N 3.5Å |
| 613 | F | 89.5 | Confident | 81.4 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.4 | 173.3 | -174.3 | -94.3 | 0 | 0 | 0 | 111.5 | C583 L585 P592 W594 L603 R615 K618 A619 | C583-F613 HydrophobicContact CB-CE2 4.17Å; L585-F613 HydrophobicContact CD1-CE1 4.34Å; L585-F613 HydrophobicContact CD1-CZ 4.25Å; P592-F613 HydrophobicContact CB-CB 4.46Å; P592-F613 HydrophobicContact CB-CD1 4.25Å; P592-F613 HydrophobicContact CB-CD2 3.72Å; P592-F613 HydrophobicContact CB-CE1 4.38Å; P592-F613 HydrophobicContact CB-CE2 3.88Å; P592-F613 HydrophobicContact CB-CG 3.9Å; P592-F613 HydrophobicContact CB-CZ 4.2Å; P592-F613 HydrophobicContact CG-CB 3.81Å; P592-F613 HydrophobicContact CG-CD1 3.65Å; P592-F613 HydrophobicContact CG-CD2 3.89Å; P592-F613 HydrophobicContact CG-CE1 4.1Å; P592-F613 HydrophobicContact CG-CE2 4.33Å; P592-F613 HydrophobicContact CG-CG 3.5Å; P592-F613 HydrophobicContact CG-CZ 4.41Å; W594-F613 AromaticContact NE1-CD2 3.87Å; L603-F613 HydrophobicContact CD1-CB 4.06Å; F613-R615 HydrophobicContact CD1-CG 4.15Å; F613-R615 HydrophobicContact CE1-CG 4.32Å; F613-K618 VanDerWaalsContact CZ-C 3.49Å; F613-K618 HydrophobicContact CZ-CB 4.31Å; F613-A619 CarbonylContact C-O 3.52Å; F613-A619 WeakPolarHBondContact CA-O 3.33Å; F613-A619 VanDerWaalsContact CD2-C 3.41Å; F613-A619 WeakPolarHBondContact CD2-O 3.26Å |
| 614 | D | 88.3 | Confident | 81.6 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.3 | 172.1 | -170 | -62.7 | 0 | 0 | 0 | 110 | T616 L617 K618 A619 I621 | D614-T616 VanDerWaalsContact C-N 3.34Å; D614-T616 VanDerWaalsContact OD1-CA 3.31Å; D614-T616 WeakPolarHBondContact OD1-CA 3.44Å; D614-T616 VanDerWaalsContact OD1-CB 3.22Å; D614-T616 WeakPolarHBondContact OD1-CB 3.48Å; D614-T616 PolarHBondContact OD1-N 3.41Å; D614-L617 HydrophobicContact CB-CB 4.17Å; D614-L617 HydrophobicContact CB-CD1 4.31Å; D614-L617 HydrophobicContact CB-CG 4.42Å; D614-L617 PolarHBondContact OD1-N 3.24Å; D614-K618 WeakPolarHBondContact O-CA 3.46Å; D614-K618 PolarHBondContact O-N 3.2Å; D614-A619 PolarHBondContact N-O 2.99Å; D614-A619 PolarHBondContact O-N 3.25Å; D614-A619 VanDerWaalsContact O-N 3.08Å; D614-I621 HydrophobicContact CB-CD1 4.31Å; D614-I621 HydrophobicContact CB-CG1 3.94Å |
| 615 | R | 84.3 | Confident | 82.4 | Confident | 195 Ų | 195 | 71 Ų | 71 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.6 | -179.1 | -66.8 | -173.8 | 177.8 | -160.2 | -0.4 | 113.9 | F613 | F613-R615 HydrophobicContact CD1-CG 4.15Å; F613-R615 HydrophobicContact CE1-CG 4.32Å |
| 616 | T | 85.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 66 Ų | 66 | 81% | 0.81 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -47.6 | -179.5 | -45.4 | 0 | 0 | 0 | 0 | 110.1 | D614 K618 | D614-T616 VanDerWaalsContact C-N 3.34Å; D614-T616 VanDerWaalsContact OD1-CA 3.31Å; D614-T616 WeakPolarHBondContact OD1-CA 3.44Å; D614-T616 VanDerWaalsContact OD1-CB 3.22Å; D614-T616 WeakPolarHBondContact OD1-CB 3.48Å; D614-T616 PolarHBondContact OD1-N 3.41Å; T616-K618 VanDerWaalsContact C-N 3.27Å |
| 617 | L | 86.9 | Confident | 84.6 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 59% | 0.586 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.9 | 173.5 | -59.5 | 176.4 | 0 | 0 | 0 | 112.6 | D614 A619 I621 | D614-L617 HydrophobicContact CB-CB 4.17Å; D614-L617 HydrophobicContact CB-CD1 4.31Å; D614-L617 HydrophobicContact CB-CG 4.42Å; D614-L617 PolarHBondContact OD1-N 3.24Å; L617-A619 VanDerWaalsContact C-N 3.33Å; L617-A619 HydrophobicContact CB-CB 4.11Å; L617-A619 PolarHBondContact O-N 3.13Å; L617-I621 HydrophobicContact CD1-CD1 4.07Å |
| 618 | K | 89.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 51.7 | -170.1 | -60.5 | -170.2 | 177 | -167.7 | 0 | 111.1 | C583 F613 D614 T616 | C583-K618 PolarHBondContact N-O 3.47Å; F613-K618 VanDerWaalsContact CZ-C 3.49Å; F613-K618 HydrophobicContact CZ-CB 4.31Å; D614-K618 WeakPolarHBondContact O-CA 3.46Å; D614-K618 PolarHBondContact O-N 3.2Å; T616-K618 VanDerWaalsContact C-N 3.27Å |
| 619 | A | 92.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | V580 L581 F613 D614 L617 I621 | V580-A619 HydrophobicContact CG1-CB 3.79Å; L581-A619 CarbonylContact O-C 3.47Å; L581-A619 WeakPolarHBondContact O-CA 3.04Å; F613-A619 CarbonylContact C-O 3.52Å; F613-A619 WeakPolarHBondContact CA-O 3.33Å; F613-A619 VanDerWaalsContact CD2-C 3.41Å; F613-A619 WeakPolarHBondContact CD2-O 3.26Å; D614-A619 PolarHBondContact N-O 2.99Å; D614-A619 PolarHBondContact O-N 3.25Å; D614-A619 VanDerWaalsContact O-N 3.08Å; L617-A619 VanDerWaalsContact C-N 3.33Å; L617-A619 HydrophobicContact CB-CB 4.11Å; L617-A619 PolarHBondContact O-N 3.13Å; A619-I621 HydrophobicContact CB-CD1 4.25Å |
| 620 | L | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.3 | 161.3 | 175.1 | 68.9 | 0 | 0 | 0 | 108.7 | V580 L581 W594 L601 L603 P611 V622 Y633 | V580-L620 WeakPolarHBondContact CA-O 3.32Å; L581-L620 HydrophobicContact CB-CB 4.42Å; L581-L620 PolarHBondContact N-O 2.91Å; L581-L620 PolarHBondContact O-N 3.08Å; W594-L620 HydrophobicContact CD2-CB 4.19Å; W594-L620 HydrophobicContact CD2-CD2 3.8Å; W594-L620 HydrophobicContact CE3-CD2 3.91Å; W594-L620 HydrophobicContact CG-CD2 4.21Å; W594-L620 HydrophobicContact CH2-CB 4.02Å; W594-L620 HydrophobicContact CH2-CD2 4.43Å; W594-L620 HydrophobicContact CZ2-CB 3.43Å; W594-L620 VanDerWaalsContact CZ2-CB 3.43Å; W594-L620 HydrophobicContact CZ2-CD2 4.36Å; W594-L620 HydrophobicContact CZ3-CD2 4.23Å; L601-L620 HydrophobicContact CD2-CD1 4.04Å; L601-L620 HydrophobicContact CD2-CD2 3.66Å; L603-L620 HydrophobicContact CD2-CD1 3.56Å; P611-L620 HydrophobicContact CB-CD1 4.23Å; L620-V622 HydrophobicContact CD1-CG2 4.27Å; L620-V622 HydrophobicContact CD2-CG2 3.84Å; L620-V622 HydrophobicContact CG-CG2 3.76Å; L620-Y633 HydrophobicContact CD2-CD1 3.92Å; L620-Y633 HydrophobicContact CD2-CE1 3.94Å |
| 621 | I | 92 | Very high | 88.1 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.2 | 170.6 | -44.3 | -59.3 | 0 | 0 | 0 | 107.1 | M579 V580 P611 R612 D614 L617 A619 | M579-I621 WeakPolarHBondContact O-CA 3.29Å; V580-I621 HydrophobicContact CB-CD1 4.33Å; V580-I621 HydrophobicContact CG1-CD1 3.89Å; V580-I621 HydrophobicContact CG2-CD1 3.89Å; P611-I621 WeakPolarHBondContact CA-O 3.26Å; R612-I621 HydrophobicContact CG-CB 4.05Å; R612-I621 PolarHBondContact N-O 3.24Å; R612-I621 PolarHBondContact O-N 3.5Å; D614-I621 HydrophobicContact CB-CD1 4.31Å; D614-I621 HydrophobicContact CB-CG1 3.94Å; L617-I621 HydrophobicContact CD1-CD1 4.07Å; A619-I621 HydrophobicContact CB-CD1 4.25Å |
| 622 | V | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 106.5 | 171.7 | -164.4 | 0 | 0 | 0 | 0 | 107.7 | M579 P611 L620 | M579-V622 HydrophobicContact CB-CB 4.33Å; M579-V622 HydrophobicContact CE-CB 3.93Å; M579-V622 HydrophobicContact CE-CG2 3.64Å; M579-V622 PolarHBondContact N-O 2.99Å; M579-V622 PolarHBondContact O-N 3.45Å; P611-V622 HydrophobicContact CB-CG1 4.33Å; P611-V622 HydrophobicContact CB-CG2 4.28Å; P611-V622 HydrophobicContact CG-CG1 4.16Å; L620-V622 HydrophobicContact CD1-CG2 4.27Å; L620-V622 HydrophobicContact CD2-CG2 3.84Å; L620-V622 HydrophobicContact CG-CG2 3.76Å |
| 623 | P | 88.6 | Confident | 88.6 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | trans | -72.8 | 157.9 | -177.5 | 31 | -35.2 | 0 | 0 | 0 | 112.1 | D578 G609 G610 A625 | D578-P623 VanDerWaalsContact OD1-CA 3.22Å; D578-P623 WeakPolarHBondContact OD1-CA 3.12Å; G609-P623 WeakPolarHBondContact O-CG 3.18Å; G610-P623 WeakPolarHBondContact O-CD 3.3Å; P623-A625 PolarHBondContact O-N 3.21Å | ||
| 624 | E | 86.6 | Confident | 88.8 | Confident | 151 Ų | 151 | 62.2 Ų | 62.2 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 45.3 | 58.6 | 173.6 | -62.5 | -171.4 | 179.2 | 0 | 0 | 114 | D578 G626 | D578-E624 PolarHBondContact OD1-N 3.25Å; D578-E624 VanDerWaalsContact OD1-N 3.13Å; E624-G626 PolarHBondContact O-N 2.96Å; E624-G626 VanDerWaalsContact O-N 3.12Å |
| 625 | A | 85.4 | Confident | 89 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -58.8 | 119.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V573 V575 G576 S577 M579 P623 | V573-A625 HydrophobicContact CB-CB 4.5Å; V573-A625 HydrophobicContact CG1-CB 3.77Å; V575-A625 CarbonylContact C-O 3.55Å; V575-A625 VanDerWaalsContact CA-O 3.25Å; V575-A625 WeakPolarHBondContact CA-O 3.26Å; G576-A625 PolarHBondContact N-O 2.77Å; S577-A625 WeakPolarHBondContact O-CB 3.46Å; S577-A625 PolarHBondContact O-N 3.24Å; M579-A625 HydrophobicContact CB-CB 4.45Å; P623-A625 PolarHBondContact O-N 3.21Å | ||
| 626 | G | 85.1 | Confident | 89.3 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | trans | -104.2 | 163.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E624 M628 Q629 | E624-G626 PolarHBondContact O-N 2.96Å; E624-G626 VanDerWaalsContact O-N 3.12Å; G626-M628 PolarHBondContact O-N 3.02Å; G626-M628 VanDerWaalsContact O-N 3.08Å; G626-Q629 WeakPolarHBondContact O-CB 3.39Å; G626-Q629 PolarHBondContact O-N 3.07Å | ||
| 627 | Q | 83.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 45.6 Ų | 45.6 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -53.9 | -32.1 | 179 | -82 | -175 | -30.6 | 0 | 0 | 114 | V575 Q629 A630 | V575-Q627 HydrophobicContact CG2-CG 4.48Å; Q627-Q629 PolarHBondContact O-N 2.89Å; Q627-Q629 VanDerWaalsContact O-N 3.17Å; Q627-A630 WeakPolarHBondContact O-CB 3.38Å; Q627-A630 PolarHBondContact O-N 2.64Å; Q627-A630 VanDerWaalsContact O-N 3.11Å |
| 628 | M | 83.6 | Confident | 89.9 | Confident | 183 Ų | 183 | 42.7 Ų | 42.7 | 90% | 0.901 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -65.2 | -12.8 | 176.3 | -63.9 | -58.6 | -65.2 | 0 | 0 | 114.2 | G626 | G626-M628 PolarHBondContact O-N 3.02Å; G626-M628 VanDerWaalsContact O-N 3.08Å |
| 629 | Q | 86.5 | Confident | 90 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -97.5 | 4.1 | 176.5 | -56.4 | 176.3 | 6.8 | 0 | 0 | 112.6 | G626 Q627 Y633 | G626-Q629 WeakPolarHBondContact O-CB 3.39Å; G626-Q629 PolarHBondContact O-N 3.07Å; Q627-Q629 PolarHBondContact O-N 2.89Å; Q627-Q629 VanDerWaalsContact O-N 3.17Å; Q629-Y633 VanDerWaalsContact O-CE2 3.31Å; Q629-Y633 WeakPolarHBondContact O-CE2 3.38Å; Q629-Y633 PolarHBondContact O-OH 3.02Å; Q629-Y633 VanDerWaalsContact O-OH 3.1Å |
| 630 | A | 90.2 | Very high | 89.8 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | trans | -70.3 | 141.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N597 Q627 V653 | N597-A630 PolarHBondContact ND2-O 2.95Å; Q627-A630 WeakPolarHBondContact O-CB 3.38Å; Q627-A630 PolarHBondContact O-N 2.64Å; Q627-A630 VanDerWaalsContact O-N 3.11Å; A630-V653 HydrophobicContact CB-CB 4.44Å; A630-V653 HydrophobicContact CB-CG2 4.24Å | ||
| 631 | G | 92.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | -174 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | N597 Q650 V651 | N597-G631 WeakPolarHBondContact OD1-CA 3.41Å; G631-Q650 PolarHBondContact O-NE2 2.83Å; G631-V651 PolarHBondContact N-O 3.28Å; G631-V651 PolarHBondContact O-N 3.48Å |
| 632 | R | 93.7 | Very high | 89.4 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.8 | 173.2 | -173.9 | 175.9 | 75.7 | -156.2 | 5.4 | 109.7 | V596 N597 D598 I634 Y649 | V596-R632 WeakPolarHBondContact CA-O 3.33Å; N597-R632 PolarHBondContact N-O 3.03Å; N597-R632 PolarHBondContact OD1-N 3.07Å; D598-R632 IonicContact OD1-CZ 3.66Å; D598-R632 IonicContact OD1-NE 3.93Å; D598-R632 IonicContact OD1-NH2 2.66Å; D598-R632 PolarHBondContact OD1-NH2 3.41Å; D598-R632 IonicContact OD2-CZ 3.8Å; D598-R632 IonicContact OD2-NH2 2.75Å; D598-R632 PolarHBondContact OD2-NH2 2.81Å; R632-I634 HydrophobicContact CG-CG1 4.38Å; R632-Y649 WeakPolarHBondContact CA-O 3.25Å |
| 633 | Y | 93.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.1 | 173.3 | -73.8 | -119.6 | 0 | 0 | 0 | 109.1 | M579 L581 W594 V595 V596 L601 L620 Q629 Y649 V651 | M579-Y633 HydrophobicContact CE-CE1 3.86Å; M579-Y633 HydrophobicContact CE-CE2 4.3Å; L581-Y633 HydrophobicContact CD1-CD1 3.49Å; L581-Y633 VanDerWaalsContact CD1-CD1 3.49Å; L581-Y633 HydrophobicContact CD1-CD2 4.38Å; L581-Y633 HydrophobicContact CD1-CE1 4.1Å; L581-Y633 HydrophobicContact CD1-CG 3.68Å; W594-Y633 HydrophobicContact CE3-CD1 4.31Å; W594-Y633 HydrophobicContact CZ3-CD1 4.44Å; V595-Y633 CarbonylContact O-C 3.45Å; V595-Y633 WeakPolarHBondContact O-CA 3.48Å; V596-Y633 HydrophobicContact CG1-CD2 4.13Å; V596-Y633 HydrophobicContact CG1-CE1 4.36Å; V596-Y633 HydrophobicContact CG1-CE2 3.7Å; V596-Y633 HydrophobicContact CG2-CD1 3.45Å; V596-Y633 VanDerWaalsContact CG2-CD1 3.45Å; V596-Y633 HydrophobicContact CG2-CD2 4.22Å; V596-Y633 HydrophobicContact CG2-CE1 3.35Å; V596-Y633 HydrophobicContact CG2-CE2 4.12Å; V596-Y633 HydrophobicContact CG2-CG 3.87Å; L601-Y633 HydrophobicContact CD2-CE1 4.43Å; L620-Y633 HydrophobicContact CD2-CD1 3.92Å; L620-Y633 HydrophobicContact CD2-CE1 3.94Å; Q629-Y633 VanDerWaalsContact O-CE2 3.31Å; Q629-Y633 WeakPolarHBondContact O-CE2 3.38Å; Q629-Y633 PolarHBondContact O-OH 3.02Å; Q629-Y633 VanDerWaalsContact O-OH 3.1Å; Y633-Y649 PolarHBondContact N-O 2.78Å; Y633-Y649 PolarHBondContact O-N 2.85Å; Y633-V651 HydrophobicContact CD2-CB 4.12Å; Y633-V651 HydrophobicContact CD2-CG2 3.55Å; Y633-V651 HydrophobicContact CE2-CB 4.08Å; Y633-V651 HydrophobicContact CE2-CG2 3.83Å; Y633-V651 HydrophobicContact CG-CG2 4.24Å |
| 634 | I | 92.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.9 | 172.8 | -53.1 | 177.5 | 0 | 0 | 0 | 107.8 | V595 R632 Y636 Q645 E647 R648 | V595-I634 PolarHBondContact N-O 2.81Å; V595-I634 PolarHBondContact O-N 2.72Å; R632-I634 HydrophobicContact CG-CG1 4.38Å; I634-Y636 HydrophobicContact CB-CE2 3.95Å; I634-Y636 HydrophobicContact CG2-CD2 4.11Å; I634-Y636 HydrophobicContact CG2-CE1 4.23Å; I634-Y636 HydrophobicContact CG2-CE2 3.49Å; I634-Y636 VanDerWaalsContact CG2-CE2 3.49Å; I634-Q645 HydrophobicContact CG2-CG 3.77Å; I634-E647 WeakPolarHBondContact CA-O 3.21Å; I634-R648 HydrophobicContact CG2-CG 4.29Å |
| 635 | C | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.6 | 167.7 | -165.7 | 0 | 0 | 0 | 0 | 110.5 | C583 W594 T646 E647 | C583-C635 HydrophobicContact CB-CB 3.63Å; C583-C635 WeakPolarHBondContact CB-SG 3.41Å; C583-C635 WeakPolarHBondContact SG-CB 3.35Å; C583-C635 CovalentContact SG-SG 2.02Å; C583-C635 PolarHBondContact SG-SG 3.44Å; W594-C635 HydrophobicContact CD2-CB 3.97Å; W594-C635 VanDerWaalsContact CE2-SG 3.54Å; W594-C635 HydrophobicContact CE3-CB 3.94Å; W594-C635 HydrophobicContact CH2-CB 3.73Å; W594-C635 HydrophobicContact CZ2-CB 3.74Å; W594-C635 HydrophobicContact CZ3-CB 3.82Å; C635-T646 PolarHBondContact O-N 3.42Å; C635-T646 PolarHBondContact O-OG1 3.38Å; C635-E647 HydrophobicContact CB-CB 4.26Å; C635-E647 PolarHBondContact N-O 2.89Å |
| 636 | Y | 91.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.7 | 164.4 | -55.5 | -95.9 | 0 | 0 | 0 | 109.1 | P557 F593 V595 I634 K643 F644 Q645 | P557-Y636 HydrophobicContact CB-CD1 3.91Å; P557-Y636 HydrophobicContact CB-CE1 3.47Å; P557-Y636 VanDerWaalsContact CB-CE1 3.47Å; P557-Y636 HydrophobicContact CG-CD1 4.46Å; P557-Y636 HydrophobicContact CG-CE1 3.79Å; F593-Y636 AromaticContact CD1-CD2 3.89Å; F593-Y636 HydrophobicContact CD1-CD2 3.89Å; F593-Y636 HydrophobicContact CD1-CG 4.37Å; F593-Y636 HydrophobicContact CE1-CD2 4.48Å; F593-Y636 PolarHBondContact N-O 3.11Å; F593-Y636 PolarHBondContact O-N 3.22Å; V595-Y636 HydrophobicContact CB-CE2 4.08Å; V595-Y636 HydrophobicContact CG2-CD2 4.12Å; V595-Y636 HydrophobicContact CG2-CE2 3.65Å; I634-Y636 HydrophobicContact CB-CE2 3.95Å; I634-Y636 HydrophobicContact CG2-CD2 4.11Å; I634-Y636 HydrophobicContact CG2-CE1 4.23Å; I634-Y636 HydrophobicContact CG2-CE2 3.49Å; I634-Y636 VanDerWaalsContact CG2-CE2 3.49Å; Y636-K643 HydrophobicContact CD1-CB 4.18Å; Y636-K643 HydrophobicContact CG-CB 4.4Å; Y636-F644 CarbonylContact C-O 3.54Å; Y636-F644 WeakPolarHBondContact CA-O 3.32Å; Y636-Q645 HydrophobicContact CD1-CB 3.75Å; Y636-Q645 HydrophobicContact CD1-CG 4.15Å; Y636-Q645 HydrophobicContact CE1-CB 3.66Å; Y636-Q645 HydrophobicContact CE1-CG 3.77Å |
| 637 | S | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.8 | 165.2 | -172.5 | 0 | 0 | 0 | 0 | 107.6 | L585 V586 A590 F644 | L585-S637 WeakPolarHBondContact CA-OG 3.43Å; V586-S637 PolarHBondContact N-OG 2.98Å; V586-S637 VanDerWaalsContact N-OG 3.09Å; A590-S637 WeakPolarHBondContact CB-OG 3.11Å; S637-F644 PolarHBondContact N-O 3.38Å; S637-F644 WeakPolarHBondContact O-CD2 3.37Å; S637-F644 PolarHBondContact O-N 3.31Å |
| 638 | E | 91.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 24% | 0.243 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.7 | -176.9 | -178.6 | 159 | -147.1 | 0 | 0 | 112 | A590 Q591 F593 V642 K643 | A590-E638 CarbonylContact C-O 3.5Å; A590-E638 VanDerWaalsContact CA-O 3.23Å; A590-E638 WeakPolarHBondContact CA-O 3.49Å; A590-E638 WeakPolarHBondContact CB-O 3.45Å; Q591-E638 PolarHBondContact N-O 3.38Å; Q591-E638 PolarHBondContact O-N 2.8Å; F593-E638 HydrophobicContact CB-CB 4.29Å; E638-V642 VanDerWaalsContact CA-O 3.31Å; E638-V642 WeakPolarHBondContact CA-O 3.27Å; E638-K643 HydrophobicContact CB-CG 4.27Å; E638-K643 HydrophobicContact CG-CG 4.19Å; E638-K643 WeakPolarHBondContact OE1-CE 3.27Å; E638-K643 IonicContact OE1-NZ 3.41Å; E638-K643 WeakPolarHBondContact OE2-CE 3.16Å; E638-K643 IonicContact OE2-NZ 3.69Å; E638-K643 PolarHBondContact OE2-NZ 2.98Å |
| 639 | E | 91.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.3 | 178.2 | -171.2 | 174.9 | -148.4 | 0 | 0 | 109.5 | R28 L510 S587 A590 G641 V642 | R28-E639 IonicContact CZ-OE1 3.63Å; R28-E639 IonicContact CZ-OE2 3.56Å; R28-E639 IonicContact NE-OE1 2.98Å; R28-E639 PolarHBondContact NE-OE1 3.43Å; R28-E639 IonicContact NE-OE2 2.71Å; R28-E639 PolarHBondContact NE-OE2 3.02Å; R28-E639 IonicContact NH2-OE1 3.94Å; R28-E639 IonicContact NH2-OE2 3.88Å; R28-E639 PolarHBondContact NH2-OE2 3.08Å; L510-E639 HydrophobicContact CD1-CB 4.2Å; L510-E639 HydrophobicContact CD1-CG 4.18Å; S587-E639 VanDerWaalsContact CB-OE1 3.3Å; S587-E639 WeakPolarHBondContact CB-OE1 3.01Å; S587-E639 WeakPolarHBondContact CB-OE2 3.27Å; S587-E639 VanDerWaalsContact OG-CD 3.31Å; S587-E639 PolarHBondContact OG-OE1 3.27Å; A590-E639 HydrophobicContact CB-CB 4.04Å; E639-G641 PolarHBondContact O-N 2.91Å; E639-G641 VanDerWaalsContact O-N 3.16Å; E639-V642 PolarHBondContact N-O 2.92Å; E639-V642 WeakPolarHBondContact O-CB 3.06Å; E639-V642 PolarHBondContact O-N 2.94Å |
| 640 | Q | 89.1 | Confident | 91.1 | Very high | 127 Ų | 127 | 31.7 Ų | 31.7 | 59% | 0.593 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 36.5 | -176 | -58.5 | -66.6 | -13.7 | 0 | 0 | 114 | L510 L544 F547 V642 | L510-Q640 HydrophobicContact CD2-CB 3.74Å; L510-Q640 HydrophobicContact CD2-CG 3.62Å; L544-Q640 HydrophobicContact CD1-CG 4.25Å; F547-Q640 HydrophobicContact CD1-CB 4.11Å; Q640-V642 VanDerWaalsContact C-N 3.3Å; Q640-V642 PolarHBondContact O-N 3.38Å |
| 641 | G | 86.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 30 Ų | 30 | 60% | 0.598 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 3.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E639 | E639-G641 PolarHBondContact O-N 2.91Å; E639-G641 VanDerWaalsContact O-N 3.16Å |
| 642 | V | 88.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | P506 L510 F547 F554 E638 E639 Q640 F644 | P506-V642 HydrophobicContact CB-CB 4.45Å; P506-V642 HydrophobicContact CB-CG1 3.69Å; P506-V642 HydrophobicContact CB-CG2 4.3Å; P506-V642 HydrophobicContact CG-CG1 3.97Å; L510-V642 HydrophobicContact CD1-CB 4.37Å; L510-V642 HydrophobicContact CD1-CG2 4.23Å; F547-V642 HydrophobicContact CD1-CG2 4.39Å; F547-V642 HydrophobicContact CE1-CG2 3.82Å; F554-V642 HydrophobicContact CB-CG1 4.47Å; F554-V642 HydrophobicContact CD2-CG1 4.2Å; F554-V642 HydrophobicContact CD2-CG2 3.72Å; F554-V642 HydrophobicContact CE2-CG2 4.18Å; E638-V642 VanDerWaalsContact CA-O 3.31Å; E638-V642 WeakPolarHBondContact CA-O 3.27Å; E639-V642 PolarHBondContact N-O 2.92Å; E639-V642 WeakPolarHBondContact O-CB 3.06Å; E639-V642 PolarHBondContact O-N 2.94Å; Q640-V642 VanDerWaalsContact C-N 3.3Å; Q640-V642 PolarHBondContact O-N 3.38Å; V642-F644 HydrophobicContact CB-CE2 4.15Å; V642-F644 HydrophobicContact CG1-CD2 4.41Å; V642-F644 HydrophobicContact CG1-CE1 4.47Å; V642-F644 HydrophobicContact CG1-CE2 3.97Å; V642-F644 HydrophobicContact CG1-CZ 4.03Å |
| 643 | K | 90 | Very high | 91.1 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 24% | 0.239 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110 | 179.6 | -65.6 | -176.5 | 177.8 | -173.4 | 0 | 111.2 | P557 V558 F593 Y636 E638 | P557-K643 VanDerWaalsContact CA-O 3.32Å; P557-K643 WeakPolarHBondContact CA-O 3.46Å; V558-K643 PolarHBondContact N-O 3.33Å; F593-K643 HydrophobicContact CD1-CD 3.81Å; F593-K643 HydrophobicContact CE1-CD 4.03Å; F593-K643 VanDerWaalsContact CE1-NZ 3.33Å; F593-K643 HydrophobicContact CG-CD 4.21Å; Y636-K643 HydrophobicContact CD1-CB 4.18Å; Y636-K643 HydrophobicContact CG-CB 4.4Å; E638-K643 HydrophobicContact CB-CG 4.27Å; E638-K643 HydrophobicContact CG-CG 4.19Å; E638-K643 WeakPolarHBondContact OE1-CE 3.27Å; E638-K643 IonicContact OE1-NZ 3.41Å; E638-K643 WeakPolarHBondContact OE2-CE 3.16Å; E638-K643 IonicContact OE2-NZ 3.69Å; E638-K643 PolarHBondContact OE2-NZ 2.98Å |
| 644 | F | 90.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.1 | 172.1 | -58.5 | -90.7 | 0 | 0 | 0 | 109.4 | P506 D507 L510 V558 I560 V586 Y636 S637 V642 T646 | P506-F644 HydrophobicContact CB-CE1 4.06Å; P506-F644 HydrophobicContact CB-CZ 3.81Å; P506-F644 HydrophobicContact CG-CE1 4.36Å; D507-F644 HydrophobicContact CB-CE1 4.01Å; D507-F644 HydrophobicContact CB-CZ 4.14Å; L510-F644 HydrophobicContact CD1-CE2 4.09Å; L510-F644 HydrophobicContact CD1-CZ 4.07Å; V558-F644 HydrophobicContact CB-CD1 4.08Å; V558-F644 HydrophobicContact CG1-CD1 4.13Å; V558-F644 HydrophobicContact CG1-CE1 4.45Å; V558-F644 CarbonylContact O-C 3.6Å; V558-F644 VanDerWaalsContact O-CA 3.28Å; V558-F644 WeakPolarHBondContact O-CA 3.41Å; I560-F644 HydrophobicContact CG1-CB 4.46Å; V586-F644 HydrophobicContact CG1-CB 3.89Å; V586-F644 HydrophobicContact CG1-CG 4.11Å; V586-F644 HydrophobicContact CG2-CB 4.38Å; V586-F644 HydrophobicContact CG2-CD2 3.55Å; V586-F644 HydrophobicContact CG2-CE2 3.83Å; V586-F644 HydrophobicContact CG2-CG 3.94Å; V586-F644 HydrophobicContact CG2-CZ 4.43Å; Y636-F644 CarbonylContact C-O 3.54Å; Y636-F644 WeakPolarHBondContact CA-O 3.32Å; S637-F644 PolarHBondContact N-O 3.38Å; S637-F644 WeakPolarHBondContact O-CD2 3.37Å; S637-F644 PolarHBondContact O-N 3.31Å; V642-F644 HydrophobicContact CB-CE2 4.15Å; V642-F644 HydrophobicContact CG1-CD2 4.41Å; V642-F644 HydrophobicContact CG1-CE1 4.47Å; V642-F644 HydrophobicContact CG1-CE2 3.97Å; V642-F644 HydrophobicContact CG1-CZ 4.03Å; F644-T646 WeakPolarHBondContact O-CG2 3.27Å; F644-T646 PolarHBondContact O-N 3.07Å |
| 645 | Q | 89.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.9 | 177.8 | -170.4 | -164 | -105.9 | 0 | 0 | 109.7 | V558 S559 I634 Y636 | V558-Q645 PolarHBondContact O-N 3.01Å; S559-Q645 PolarHBondContact OG-NE2 3.22Å; I634-Q645 HydrophobicContact CG2-CG 3.77Å; Y636-Q645 HydrophobicContact CD1-CB 3.75Å; Y636-Q645 HydrophobicContact CD1-CG 4.15Å; Y636-Q645 HydrophobicContact CE1-CB 3.66Å; Y636-Q645 HydrophobicContact CE1-CG 3.77Å |
| 646 | T | 88.2 | Confident | 89 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -44 | -169.1 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | I560 H565 C583 Q584 V586 C635 F644 | I560-T646 HydrophobicContact CD1-CG2 3.46Å; I560-T646 VanDerWaalsContact CD1-CG2 3.46Å; H565-T646 WeakPolarHBondContact CA-O 3.12Å; H565-T646 WeakPolarHBondContact CB-O 3.47Å; H565-T646 PolarHBondContact CD2-O 3.19Å; C583-T646 PolarHBondContact SG-OG1 2.87Å; Q584-T646 WeakPolarHBondContact O-CB 3.49Å; Q584-T646 WeakPolarHBondContact O-CG2 3.42Å; Q584-T646 PolarHBondContact O-OG1 2.87Å; V586-T646 HydrophobicContact CG1-CG2 4.28Å; C635-T646 PolarHBondContact O-N 3.42Å; C635-T646 PolarHBondContact O-OG1 3.38Å; F644-T646 WeakPolarHBondContact O-CG2 3.27Å; F644-T646 PolarHBondContact O-N 3.07Å |
| 647 | E | 89.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.4 | -176.2 | -73.9 | -69.6 | -179.9 | 0 | 0 | 111.5 | R569 I634 C635 Y649 | R569-E647 IonicContact CZ-OE1 3.68Å; R569-E647 IonicContact CZ-OE2 2.86Å; R569-E647 IonicContact NE-OE1 2.7Å; R569-E647 IonicContact NE-OE2 3.18Å; R569-E647 PolarHBondContact NE-OE2 2.75Å; R569-E647 VanDerWaalsContact NH2-CD 3.33Å; R569-E647 IonicContact NH2-OE1 3.54Å; R569-E647 PolarHBondContact NH2-OE1 2.9Å; R569-E647 IonicContact NH2-OE2 3.37Å; R569-E647 PolarHBondContact NH2-OE2 2.69Å; I634-E647 WeakPolarHBondContact CA-O 3.21Å; C635-E647 HydrophobicContact CB-CB 4.26Å; C635-E647 PolarHBondContact N-O 2.89Å; E647-Y649 HydrophobicContact CB-CE2 3.67Å; E647-Y649 HydrophobicContact CG-CE2 4.46Å |
| 648 | R | 91.6 | Very high | 85.1 | Confident | 76 Ų | 76 | 42.4 Ų | 42.4 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 121.4 | -176.5 | -63.4 | 179.3 | 66.1 | 156.9 | -0.2 | 110.4 | L568 R569 I634 | L568-R648 WeakPolarHBondContact CA-O 3.45Å; L568-R648 HydrophobicContact CD1-CB 4.05Å; R569-R648 PolarHBondContact N-O 2.84Å; I634-R648 HydrophobicContact CG2-CG 4.29Å |
| 649 | Y | 93.1 | Very high | 82.8 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.7 | 179.5 | -56.8 | -92.3 | 0 | 0 | 0 | 111.9 | R569 V571 L581 P582 W594 R632 Y633 E647 | R569-Y649 HydrophobicContact CB-CD1 3.68Å; R569-Y649 HydrophobicContact CB-CE1 3.91Å; R569-Y649 HydrophobicContact CG-CD1 4.47Å; R569-Y649 HydrophobicContact CG-CE1 4.29Å; R569-Y649 CarbonylContact O-C 3.6Å; R569-Y649 VanDerWaalsContact O-CA 3.23Å; R569-Y649 WeakPolarHBondContact O-CA 3.41Å; V571-Y649 HydrophobicContact CG2-CD1 3.71Å; V571-Y649 HydrophobicContact CG2-CE1 4.44Å; L581-Y649 HydrophobicContact CB-CD2 4.22Å; L581-Y649 HydrophobicContact CB-CE2 4.1Å; L581-Y649 HydrophobicContact CD1-CD2 4.2Å; L581-Y649 HydrophobicContact CD1-CG 4.25Å; L581-Y649 HydrophobicContact CD2-CD1 3.88Å; L581-Y649 HydrophobicContact CD2-CD2 4.45Å; L581-Y649 HydrophobicContact CD2-CE1 4.26Å; L581-Y649 HydrophobicContact CD2-CG 4Å; P582-Y649 WeakPolarHBondContact O-CE2 3.44Å; P582-Y649 PolarHBondContact O-OH 3.02Å; W594-Y649 HydrophobicContact CH2-CD2 4.32Å; W594-Y649 HydrophobicContact CH2-CE2 4.04Å; W594-Y649 HydrophobicContact CZ3-CD2 4.17Å; W594-Y649 HydrophobicContact CZ3-CE2 4.33Å; R632-Y649 WeakPolarHBondContact CA-O 3.25Å; Y633-Y649 PolarHBondContact N-O 2.78Å; Y633-Y649 PolarHBondContact O-N 2.85Å; E647-Y649 HydrophobicContact CB-CE2 3.67Å; E647-Y649 HydrophobicContact CG-CE2 4.46Å |
| 650 | Q | 94.6 | Very high | 80.3 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.2 | 165.1 | -174.4 | 62.1 | 51.8 | 0 | 0 | 108 | L568 R569 N570 V571 G631 | L568-Q650 HydrophobicContact CD1-CB 4.14Å; L568-Q650 HydrophobicContact CD2-CB 4.16Å; L568-Q650 HydrophobicContact CG-CB 4.16Å; R569-Q650 PolarHBondContact O-N 3.11Å; N570-Q650 WeakPolarHBondContact CA-O 3.36Å; V571-Q650 PolarHBondContact N-O 2.89Å; G631-Q650 PolarHBondContact O-NE2 2.83Å |
| 651 | V | 94.1 | Very high | 78 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.8 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | V571 M579 L581 G631 Y633 V653 | V571-V651 CarbonylContact O-C 3.48Å; V571-V651 WeakPolarHBondContact O-CA 3.28Å; M579-V651 HydrophobicContact CE-CG1 4.36Å; M579-V651 HydrophobicContact CE-CG2 4.38Å; M579-V651 HydrophobicContact SD-CB 4.24Å; M579-V651 HydrophobicContact SD-CG1 3.52Å; M579-V651 VanDerWaalsContact SD-CG1 3.52Å; M579-V651 HydrophobicContact SD-CG2 3.64Å; L581-V651 HydrophobicContact CD1-CG2 4.06Å; L581-V651 HydrophobicContact CD2-CG2 4.38Å; G631-V651 PolarHBondContact N-O 3.28Å; G631-V651 PolarHBondContact O-N 3.48Å; Y633-V651 HydrophobicContact CD2-CB 4.12Å; Y633-V651 HydrophobicContact CD2-CG2 3.55Å; Y633-V651 HydrophobicContact CE2-CB 4.08Å; Y633-V651 HydrophobicContact CE2-CG2 3.83Å; Y633-V651 HydrophobicContact CG-CG2 4.24Å; V651-V653 HydrophobicContact CG1-CG2 4.03Å |
| 652 | A | 92.3 | Very high | 75.5 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | V571 T572 V573 | V571-A652 PolarHBondContact O-N 3.3Å; T572-A652 WeakPolarHBondContact CA-O 3.49Å; T572-A652 HydrophobicContact CG2-CB 4.46Å; V573-A652 PolarHBondContact N-O 2.82Å |
| 653 | V | 89.4 | Confident | 73 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 9% | 0.085 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.8 | 179 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V573 V575 A630 V651 | V573-V653 CarbonylContact O-C 3.59Å; V573-V653 VanDerWaalsContact O-CA 3.3Å; V573-V653 WeakPolarHBondContact O-CA 3.44Å; V575-V653 HydrophobicContact CG2-CG1 3.73Å; A630-V653 HydrophobicContact CB-CB 4.44Å; A630-V653 HydrophobicContact CB-CG2 4.24Å; V651-V653 HydrophobicContact CG1-CG2 4.03Å |
| 654 | V | 87.9 | Confident | 70.6 | Confident | 46 Ų | 46 | 72 Ų | 72 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.5 | -170.5 | -71.4 | 0 | 0 | 0 | 0 | 112 | V573 V574 V575 S656 | V573-V654 WeakPolarHBondContact O-CG2 3.29Å; V573-V654 PolarHBondContact O-N 2.71Å; V574-V654 CarbonylContact C-O 3.53Å; V574-V654 WeakPolarHBondContact CA-O 3.45Å; V574-V654 HydrophobicContact CG2-CG2 4.42Å; V575-V654 PolarHBondContact N-O 3.42Å; V654-S656 WeakPolarHBondContact CB-O 3.49Å; V654-S656 WeakPolarHBondContact CG2-O 3.37Å; V654-S656 PolarHBondContact O-N 3.29Å |
| 655 | A | 78.6 | Confident | 67.9 | Low | 82 Ų | 82 | 74.9 Ų | 74.9 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -66.2 | -21.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 656 | S | 68 | Low | 65.6 | Low | 80 Ų | 80 | 79.9 Ų | 79.9 | 56% | 0.559 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -138.3 | 165.6 | 165.5 | 60.5 | 0 | 0 | 0 | 0 | 107.9 | V654 | V654-S656 WeakPolarHBondContact CB-O 3.49Å; V654-S656 WeakPolarHBondContact CG2-O 3.37Å; V654-S656 PolarHBondContact O-N 3.29Å |
| 657 | A | 54.8 | Low | 63.6 | Low | 57 Ų | 57 | 85.4 Ų | 85.4 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | trans | -50.4 | 136.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V574 V659 | V574-A657 HydrophobicContact CG2-CB 3.97Å; A657-V659 PolarHBondContact O-N 2.64Å; A657-V659 VanDerWaalsContact O-N 3.13Å | ||
| 658 | P | 48.2 | Very low | 61.7 | Low | 65 Ų | 65 | 90 Ų | 90 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | trans | -61.1 | 125.1 | 172.9 | 27.5 | -31.1 | 0 | 0 | 0 | 106.2 | F660 | P658-F660 HydrophobicContact CG-CD2 4.16Å; P658-F660 HydrophobicContact CG-CE2 4.04Å; P658-F660 PolarHBondContact O-N 3.24Å | ||
| 659 | V | 42.7 | Very low | 60.1 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 83% | 0.83 | 53% | 0.526 | S | S | * | . | trans | -66.3 | 91.8 | 164 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | A657 M661 | A657-V659 PolarHBondContact O-N 2.64Å; A657-V659 VanDerWaalsContact O-N 3.13Å; V659-M661 VanDerWaalsContact C-N 3.3Å; V659-M661 PolarHBondContact O-N 2.74Å | ||
| 660 | F | 39.3 | Very low | 58.4 | Low | 154 Ų | 154 | 94 Ų | 94 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | trans | -53.1 | 107.6 | 154.1 | -85 | -93.7 | 0 | 0 | 0 | 105.2 | P658 E662 | P658-F660 HydrophobicContact CG-CD2 4.16Å; P658-F660 HydrophobicContact CG-CE2 4.04Å; P658-F660 PolarHBondContact O-N 3.24Å; F660-E662 PolarHBondContact O-N 3.46Å; F660-E662 VanDerWaalsContact O-N 3.13Å | ||
| 661 | M | 39.7 | Very low | 56.9 | Low | 173 Ų | 173 | 92.6 Ų | 92.6 | 85% | 0.852 | 55% | 0.554 | S | S | * | * | trans | -48.2 | 121.5 | 142.7 | -84.2 | -172.1 | 63.4 | 0 | 0 | 105.3 | V659 A663 | V659-M661 VanDerWaalsContact C-N 3.3Å; V659-M661 PolarHBondContact O-N 2.74Å; M661-A663 PolarHBondContact O-N 2.88Å | ||
| 662 | E | 35.6 | Very low | 55.5 | Low | 167 Ų | 167 | 98.6 Ų | 98.6 | 78% | 0.78 | 59% | 0.585 | S | S | * | * | trans | -45.7 | 99.3 | -175.9 | -161.7 | 86.8 | -162.1 | 0 | 0 | 109.3 | F660 R664 | F660-E662 PolarHBondContact O-N 3.46Å; F660-E662 VanDerWaalsContact O-N 3.13Å; E662-R664 PolarHBondContact O-N 3.2Å | ||
| 663 | A | 35.8 | Very low | 54.5 | Low | 81 Ų | 81 | 101.9 Ų | 101.9 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | trans | -73 | 83.9 | 173 | 0 | 0 | 0 | 0 | 0 | 104.4 | M661 A665 | M661-A663 PolarHBondContact O-N 2.88Å; A663-A665 PolarHBondContact O-N 2.76Å | ||
| 664 | R | 39 | Very low | 53.8 | Low | 220 Ų | 220 | 108.2 Ų | 108.2 | 83% | 0.83 | 61% | 0.614 | S | S | * | * | trans | -30.6 | 112.8 | -164.8 | -83.7 | -173.6 | 168.4 | 99.6 | -4.9 | 110 | E662 P666 | E662-R664 PolarHBondContact O-N 3.2Å; R664-P666 VanDerWaalsContact O-N 3.17Å | ||
| 665 | A | 34.5 | Very low | 53.3 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | trans | -50.2 | 127.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | A663 D667 | A663-A665 PolarHBondContact O-N 2.76Å; A665-D667 PolarHBondContact O-N 3.14Å; A665-D667 VanDerWaalsContact O-N 3.12Å | ||
| 666 | P | 40.4 | Very low | 53.4 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -56.3 | 124.4 | 176.1 | 24.3 | -33 | 0 | 0 | 0 | 107.2 | R664 S668 | R664-P666 VanDerWaalsContact O-N 3.17Å; P666-S668 PolarHBondContact O-N 3.46Å |
| 667 | D | 46.6 | Very low | 54.1 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | trans | -45.1 | 131.5 | -146.5 | -73.8 | -59.1 | 0 | 0 | 0 | 114.6 | A665 S669 M670 | A665-D667 PolarHBondContact O-N 3.14Å; A665-D667 VanDerWaalsContact O-N 3.12Å; D667-S669 VanDerWaalsContact CB-OG 3.24Å; D667-S669 WeakPolarHBondContact CB-OG 3.37Å; D667-S669 PolarHBondContact O-N 3.38Å; D667-S669 PolarHBondContact O-OG 2.83Å; D667-M670 PolarHBondContact O-N 3.03Å | ||
| 668 | S | 50.4 | Low | 55.6 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -0.9 | 168.9 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | P666 M670 G671 L672 | P666-S668 PolarHBondContact O-N 3.46Å; S668-M670 PolarHBondContact O-N 3.42Å; S668-G671 PolarHBondContact O-N 2.04Å; S668-L672 PolarHBondContact O-N 2.7Å |
| 669 | S | 56.8 | Low | 57.4 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -50 | -31.3 | 163.4 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | D667 G671 L672 F673 | D667-S669 VanDerWaalsContact CB-OG 3.24Å; D667-S669 WeakPolarHBondContact CB-OG 3.37Å; D667-S669 PolarHBondContact O-N 3.38Å; D667-S669 PolarHBondContact O-OG 2.83Å; S669-G671 PolarHBondContact O-N 2.93Å; S669-L672 PolarHBondContact O-N 2.79Å; S669-F673 WeakPolarHBondContact O-CB 3.18Å; S669-F673 PolarHBondContact O-N 2.77Å |
| 670 | M | 57.2 | Low | 59.6 | Low | 100 Ų | 100 | 112 Ų | 112 | 49% | 0.493 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.9 | -39.1 | 175.4 | -86.4 | -85.2 | 81.4 | 0 | 0 | 112.9 | D667 S668 F673 W674 | D667-M670 PolarHBondContact O-N 3.03Å; S668-M670 PolarHBondContact O-N 3.42Å; M670-F673 HydrophobicContact CE-CB 3.94Å; M670-F673 HydrophobicContact CE-CD1 3.43Å; M670-F673 VanDerWaalsContact CE-CD1 3.43Å; M670-F673 HydrophobicContact CE-CE1 4.09Å; M670-F673 HydrophobicContact CE-CG 3.82Å; M670-F673 PolarHBondContact O-N 3.1Å; M670-W674 PolarHBondContact O-N 3.35Å |
| 671 | G | 63.7 | Low | 62.1 | Low | 46 Ų | 46 | 106.3 Ų | 106.3 | 47% | 0.474 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.6 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S668 S669 F673 W674 V675 | S668-G671 PolarHBondContact O-N 2.04Å; S669-G671 PolarHBondContact O-N 2.93Å; G671-F673 PolarHBondContact O-N 3.5Å; G671-W674 PolarHBondContact O-N 2.91Å; G671-V675 WeakPolarHBondContact O-CG2 3.29Å; G671-V675 PolarHBondContact O-N 2.79Å |
| 672 | L | 65.8 | Low | 64.4 | Low | 127 Ų | 127 | 100.6 Ų | 100.6 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.8 | -41.9 | 174.1 | -79.2 | 164.5 | 0 | 0 | 0 | 112.1 | S668 S669 V675 L676 | S668-L672 PolarHBondContact O-N 2.7Å; S669-L672 PolarHBondContact O-N 2.79Å; L672-V675 PolarHBondContact O-N 3Å; L672-L676 WeakPolarHBondContact O-CB 3.3Å; L672-L676 PolarHBondContact O-N 3.21Å |
| 673 | F | 71.1 | Confident | 67 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 50% | 0.504 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.7 | -178.7 | -90 | 0 | 0 | 0 | 111.7 | S669 M670 G671 L676 V677 | S669-F673 WeakPolarHBondContact O-CB 3.18Å; S669-F673 PolarHBondContact O-N 2.77Å; M670-F673 HydrophobicContact CE-CB 3.94Å; M670-F673 HydrophobicContact CE-CD1 3.43Å; M670-F673 VanDerWaalsContact CE-CD1 3.43Å; M670-F673 HydrophobicContact CE-CE1 4.09Å; M670-F673 HydrophobicContact CE-CG 3.82Å; M670-F673 PolarHBondContact O-N 3.1Å; G671-F673 PolarHBondContact O-N 3.5Å; F673-L676 CarbonylContact O-C 3.53Å; F673-L676 PolarHBondContact O-N 2.76Å; F673-V677 HydrophobicContact CD1-CG2 3.92Å; F673-V677 HydrophobicContact CE1-CG2 3.61Å; F673-V677 HydrophobicContact CE2-CG2 4.45Å; F673-V677 HydrophobicContact CG-CG2 4.48Å; F673-V677 HydrophobicContact CZ-CG2 3.9Å; F673-V677 WeakPolarHBondContact O-CB 3.46Å; F673-V677 VanDerWaalsContact O-CG2 3.31Å; F673-V677 WeakPolarHBondContact O-CG2 3.39Å; F673-V677 PolarHBondContact O-N 3.32Å |
| 674 | W | 73.9 | Confident | 69.6 | Low | 147 Ų | 147 | 94.4 Ų | 94.4 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 174.4 | -81.7 | 111 | 0 | 0 | 0 | 112.1 | M670 G671 L676 V677 I678 | M670-W674 PolarHBondContact O-N 3.35Å; G671-W674 PolarHBondContact O-N 2.91Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 2.82Å; W674-V677 HydrophobicContact CE3-CG1 4.4Å; W674-V677 HydrophobicContact CZ3-CG1 4.43Å; W674-V677 PolarHBondContact O-N 2.69Å; W674-I678 VanDerWaalsContact O-CB 3.3Å; W674-I678 WeakPolarHBondContact O-CB 3.43Å; W674-I678 WeakPolarHBondContact O-CD1 3.13Å; W674-I678 WeakPolarHBondContact O-CG1 3.25Å; W674-I678 PolarHBondContact O-N 2.86Å |
| 675 | V | 78 | Confident | 72.1 | Confident | 90 Ų | 90 | 89.5 Ų | 89.5 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 171.3 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | G671 L672 I678 T679 | G671-V675 WeakPolarHBondContact O-CG2 3.29Å; G671-V675 PolarHBondContact O-N 2.79Å; L672-V675 PolarHBondContact O-N 3Å; V675-I678 PolarHBondContact O-N 2.65Å; V675-T679 HydrophobicContact CG1-CG2 4.47Å; V675-T679 WeakPolarHBondContact O-CB 3.03Å; V675-T679 WeakPolarHBondContact O-CG2 3.38Å; V675-T679 PolarHBondContact O-N 3.17Å; V675-T679 PolarHBondContact O-OG1 3.48Å |
| 676 | L | 79.9 | Confident | 74.8 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 178.5 | -144.7 | 161.5 | 0 | 0 | 0 | 111.5 | L672 F673 W674 T679 L680 | L672-L676 WeakPolarHBondContact O-CB 3.3Å; L672-L676 PolarHBondContact O-N 3.21Å; F673-L676 CarbonylContact O-C 3.53Å; F673-L676 PolarHBondContact O-N 2.76Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 2.82Å; L676-T679 WeakPolarHBondContact CA-OG1 3.31Å; L676-T679 PolarHBondContact O-OG1 3.36Å; L676-L680 HydrophobicContact CD2-CD1 3.51Å; L676-L680 HydrophobicContact CD2-CG 3.97Å; L676-L680 VanDerWaalsContact O-CB 3.23Å; L676-L680 WeakPolarHBondContact O-CB 2.97Å; L676-L680 WeakPolarHBondContact O-CG 3.33Å; L676-L680 PolarHBondContact O-N 3.1Å |
| 677 | V | 83.5 | Confident | 77.2 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 36% | 0.358 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 173.5 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | F673 W674 G681 | F673-V677 HydrophobicContact CD1-CG2 3.92Å; F673-V677 HydrophobicContact CE1-CG2 3.61Å; F673-V677 HydrophobicContact CE2-CG2 4.45Å; F673-V677 HydrophobicContact CG-CG2 4.48Å; F673-V677 HydrophobicContact CZ-CG2 3.9Å; F673-V677 WeakPolarHBondContact O-CB 3.46Å; F673-V677 VanDerWaalsContact O-CG2 3.31Å; F673-V677 WeakPolarHBondContact O-CG2 3.39Å; F673-V677 PolarHBondContact O-N 3.32Å; W674-V677 HydrophobicContact CE3-CG1 4.4Å; W674-V677 HydrophobicContact CZ3-CG1 4.43Å; W674-V677 PolarHBondContact O-N 2.69Å; V677-G681 WeakPolarHBondContact O-CA 3.35Å; V677-G681 PolarHBondContact O-N 2.79Å |
| 678 | I | 86.9 | Confident | 79.3 | Confident | 112 Ų | 112 | 91.5 Ų | 91.5 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 176.7 | -71.2 | 164.9 | 0 | 0 | 0 | 110.6 | W674 V675 G681 A682 | W674-I678 VanDerWaalsContact O-CB 3.3Å; W674-I678 WeakPolarHBondContact O-CB 3.43Å; W674-I678 WeakPolarHBondContact O-CD1 3.13Å; W674-I678 WeakPolarHBondContact O-CG1 3.25Å; W674-I678 PolarHBondContact O-N 2.86Å; V675-I678 PolarHBondContact O-N 2.65Å; I678-G681 PolarHBondContact O-N 2.7Å; I678-A682 WeakPolarHBondContact O-CB 3.09Å; I678-A682 PolarHBondContact O-N 3.11Å |
| 679 | T | 84.9 | Confident | 81.1 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | V675 L676 G681 A682 A683 | V675-T679 HydrophobicContact CG1-CG2 4.47Å; V675-T679 WeakPolarHBondContact O-CB 3.03Å; V675-T679 WeakPolarHBondContact O-CG2 3.38Å; V675-T679 PolarHBondContact O-N 3.17Å; V675-T679 PolarHBondContact O-OG1 3.48Å; L676-T679 WeakPolarHBondContact CA-OG1 3.31Å; L676-T679 PolarHBondContact O-OG1 3.36Å; T679-G681 VanDerWaalsContact C-N 3.33Å; T679-A682 PolarHBondContact O-N 2.57Å; T679-A683 VanDerWaalsContact O-CB 3.28Å; T679-A683 WeakPolarHBondContact O-CB 3.49Å; T679-A683 PolarHBondContact O-N 2.95Å |
| 680 | L | 88.7 | Confident | 82.6 | Confident | 101 Ų | 101 | 89.5 Ų | 89.5 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 168.8 | -80.4 | 171.9 | 0 | 0 | 0 | 112 | L676 A683 C684 | L676-L680 HydrophobicContact CD2-CD1 3.51Å; L676-L680 HydrophobicContact CD2-CG 3.97Å; L676-L680 VanDerWaalsContact O-CB 3.23Å; L676-L680 WeakPolarHBondContact O-CB 2.97Å; L676-L680 WeakPolarHBondContact O-CG 3.33Å; L676-L680 PolarHBondContact O-N 3.1Å; L680-A683 PolarHBondContact O-N 2.94Å; L680-C684 VanDerWaalsContact O-CB 3.28Å; L680-C684 WeakPolarHBondContact O-CB 3.2Å; L680-C684 PolarHBondContact O-N 3.14Å; L680-C684 PolarHBondContact O-SG 2.85Å |
| 681 | G | 91.1 | Very high | 84.1 | Confident | 36 Ų | 36 | 87.4 Ų | 87.4 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V677 I678 T679 C684 L685 | V677-G681 WeakPolarHBondContact O-CA 3.35Å; V677-G681 PolarHBondContact O-N 2.79Å; I678-G681 PolarHBondContact O-N 2.7Å; T679-G681 VanDerWaalsContact C-N 3.33Å; G681-C684 PolarHBondContact O-N 2.88Å; G681-L685 VanDerWaalsContact O-CB 3.31Å; G681-L685 WeakPolarHBondContact O-CB 3.16Å; G681-L685 PolarHBondContact O-N 3Å |
| 682 | A | 89.1 | Confident | 85.2 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I678 T679 L685 L686 | I678-A682 WeakPolarHBondContact O-CB 3.09Å; I678-A682 PolarHBondContact O-N 3.11Å; T679-A682 PolarHBondContact O-N 2.57Å; A682-L685 PolarHBondContact O-N 3.26Å; A682-L686 WeakPolarHBondContact O-CB 3.43Å; A682-L686 WeakPolarHBondContact O-CG 3.29Å; A682-L686 PolarHBondContact O-N 3.08Å |
| 683 | A | 91.1 | Very high | 86.1 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T679 L680 L686 L687 | T679-A683 VanDerWaalsContact O-CB 3.28Å; T679-A683 WeakPolarHBondContact O-CB 3.49Å; T679-A683 PolarHBondContact O-N 2.95Å; L680-A683 PolarHBondContact O-N 2.94Å; A683-L686 PolarHBondContact O-N 3.16Å; A683-L687 WeakPolarHBondContact O-CB 3.44Å; A683-L687 VanDerWaalsContact O-CG 3.25Å; A683-L687 WeakPolarHBondContact O-CG 3.44Å; A683-L687 PolarHBondContact O-N 2.85Å |
| 684 | C | 89.6 | Confident | 86.7 | Confident | 76 Ų | 76 | 89.1 Ų | 89.1 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.3 | -72 | 0 | 0 | 0 | 0 | 111.8 | L680 G681 L687 L688 | L680-C684 VanDerWaalsContact O-CB 3.28Å; L680-C684 WeakPolarHBondContact O-CB 3.2Å; L680-C684 PolarHBondContact O-N 3.14Å; L680-C684 PolarHBondContact O-SG 2.85Å; G681-C684 PolarHBondContact O-N 2.88Å; C684-L687 PolarHBondContact O-N 2.79Å; C684-L688 WeakPolarHBondContact O-CB 3.38Å; C684-L688 PolarHBondContact O-N 2.92Å |
| 685 | L | 91.3 | Very high | 87 | Confident | 116 Ų | 116 | 90.3 Ų | 90.3 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 178.2 | -159.1 | 157.2 | 0 | 0 | 0 | 111 | G681 A682 L688 V689 | G681-L685 VanDerWaalsContact O-CB 3.31Å; G681-L685 WeakPolarHBondContact O-CB 3.16Å; G681-L685 PolarHBondContact O-N 3Å; A682-L685 PolarHBondContact O-N 3.26Å; L685-L688 PolarHBondContact O-N 2.99Å; L685-V689 HydrophobicContact CD2-CG2 4.03Å; L685-V689 WeakPolarHBondContact O-CB 3.39Å; L685-V689 WeakPolarHBondContact O-CG2 3.15Å; L685-V689 PolarHBondContact O-N 2.84Å |
| 686 | L | 90.8 | Very high | 87 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 171.1 | -74.4 | 169.9 | 0 | 0 | 0 | 112.1 | A682 A683 L688 V689 A690 | A682-L686 WeakPolarHBondContact O-CB 3.43Å; A682-L686 WeakPolarHBondContact O-CG 3.29Å; A682-L686 PolarHBondContact O-N 3.08Å; A683-L686 PolarHBondContact O-N 3.16Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 3.15Å; L686-V689 PolarHBondContact O-N 2.87Å; L686-A690 VanDerWaalsContact O-CB 3.28Å; L686-A690 WeakPolarHBondContact O-CB 3.28Å; L686-A690 PolarHBondContact O-N 2.7Å |
| 687 | L | 90.6 | Very high | 87 | Confident | 121 Ų | 121 | 98 Ų | 98 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -35 | 174.8 | -75.1 | 169.5 | 0 | 0 | 0 | 112.3 | A683 C684 A690 A691 | A683-L687 WeakPolarHBondContact O-CB 3.44Å; A683-L687 VanDerWaalsContact O-CG 3.25Å; A683-L687 WeakPolarHBondContact O-CG 3.44Å; A683-L687 PolarHBondContact O-N 2.85Å; C684-L687 PolarHBondContact O-N 2.79Å; L687-A690 PolarHBondContact O-N 3.42Å; L687-A691 WeakPolarHBondContact O-CB 3.35Å; L687-A691 PolarHBondContact O-N 3.48Å |
| 688 | L | 90.9 | Very high | 86.2 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.3 | -39.4 | 177.3 | -162.8 | 157.7 | 0 | 0 | 0 | 110.9 | C684 L685 L686 A691 L692 | C684-L688 WeakPolarHBondContact O-CB 3.38Å; C684-L688 PolarHBondContact O-N 2.92Å; L685-L688 PolarHBondContact O-N 2.99Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-L688 PolarHBondContact O-N 3.15Å; L688-A691 PolarHBondContact O-N 3.01Å; L688-L692 HydrophobicContact CD2-CD1 3.61Å; L688-L692 HydrophobicContact CD2-CG 4.05Å; L688-L692 WeakPolarHBondContact O-CB 3.45Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.31Å |
| 689 | V | 89.6 | Confident | 85.4 | Confident | 82 Ų | 82 | 102.1 Ų | 102.1 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 169.7 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | L685 L686 L692 Y693 | L685-V689 HydrophobicContact CD2-CG2 4.03Å; L685-V689 WeakPolarHBondContact O-CB 3.39Å; L685-V689 WeakPolarHBondContact O-CG2 3.15Å; L685-V689 PolarHBondContact O-N 2.84Å; L686-V689 PolarHBondContact O-N 2.87Å; V689-L692 PolarHBondContact O-N 2.64Å; V689-Y693 VanDerWaalsContact O-CB 3.32Å; V689-Y693 WeakPolarHBondContact O-CB 3.43Å; V689-Y693 PolarHBondContact O-N 2.8Å |
| 690 | A | 88.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 104 Ų | 104 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L686 L687 Y693 L694 | L686-A690 VanDerWaalsContact O-CB 3.28Å; L686-A690 WeakPolarHBondContact O-CB 3.28Å; L686-A690 PolarHBondContact O-N 2.7Å; L687-A690 PolarHBondContact O-N 3.42Å; A690-Y693 PolarHBondContact O-N 3.21Å; A690-L694 VanDerWaalsContact O-CB 3.28Å; A690-L694 WeakPolarHBondContact O-CB 3.47Å; A690-L694 VanDerWaalsContact O-CG 3.28Å; A690-L694 WeakPolarHBondContact O-CG 3.41Å; A690-L694 PolarHBondContact O-N 3.29Å |
| 691 | A | 87.8 | Confident | 83.1 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L687 L688 R695 | L687-A691 WeakPolarHBondContact O-CB 3.35Å; L687-A691 PolarHBondContact O-N 3.48Å; L688-A691 PolarHBondContact O-N 3.01Å; A691-R695 WeakPolarHBondContact O-CB 3.37Å; A691-R695 PolarHBondContact O-N 2.86Å |
| 692 | L | 86.8 | Confident | 81.5 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 173.2 | -74.2 | 177 | 0 | 0 | 0 | 112.2 | L688 V689 R695 R696 | L688-L692 HydrophobicContact CD2-CD1 3.61Å; L688-L692 HydrophobicContact CD2-CG 4.05Å; L688-L692 WeakPolarHBondContact O-CB 3.45Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.31Å; V689-L692 PolarHBondContact O-N 2.64Å; L692-R695 PolarHBondContact O-N 3.41Å; L692-R696 WeakPolarHBondContact O-CB 3.32Å; L692-R696 PolarHBondContact O-N 3.22Å |
| 693 | Y | 85.2 | Confident | 79.8 | Confident | 134 Ų | 134 | 106.9 Ų | 106.9 | 53% | 0.525 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -48.3 | 172.9 | 178.2 | -90.2 | 0 | 0 | 0 | 111.1 | V689 A690 R695 R696 R697 | V689-Y693 VanDerWaalsContact O-CB 3.32Å; V689-Y693 WeakPolarHBondContact O-CB 3.43Å; V689-Y693 PolarHBondContact O-N 2.8Å; A690-Y693 PolarHBondContact O-N 3.21Å; Y693-R695 PolarHBondContact O-N 2.96Å; Y693-R696 WeakPolarHBondContact O-CB 3.49Å; Y693-R696 PolarHBondContact O-N 3.11Å; Y693-R697 HydrophobicContact CE1-CG 4.22Å; Y693-R697 PolarHBondContact O-N 3.46Å; Y693-R697 PolarHBondContact OH-NE 2.93Å |
| 694 | L | 82.3 | Confident | 77.8 | Confident | 99 Ų | 99 | 113.9 Ų | 113.9 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.2 | -40.3 | 174.4 | -75.5 | 166.9 | 0 | 0 | 0 | 111.5 | A690 R697 L698 | A690-L694 VanDerWaalsContact O-CB 3.28Å; A690-L694 WeakPolarHBondContact O-CB 3.47Å; A690-L694 VanDerWaalsContact O-CG 3.28Å; A690-L694 WeakPolarHBondContact O-CG 3.41Å; A690-L694 PolarHBondContact O-N 3.29Å; L694-R697 CarbonylContact O-C 3.59Å; L694-R697 PolarHBondContact O-N 2.77Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 WeakPolarHBondContact O-CD1 3.42Å; L694-L698 PolarHBondContact O-N 2.84Å |
| 695 | R | 80.4 | Confident | 75.9 | Confident | 172 Ų | 172 | 113.3 Ų | 113.3 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.3 | -32.5 | 175.2 | -166.8 | 177.8 | -169.8 | -163.3 | 4.6 | 112.3 | A691 L692 Y693 K699 | A691-R695 WeakPolarHBondContact O-CB 3.37Å; A691-R695 PolarHBondContact O-N 2.86Å; L692-R695 PolarHBondContact O-N 3.41Å; Y693-R695 PolarHBondContact O-N 2.96Å; R695-K699 WeakPolarHBondContact O-CB 3.46Å; R695-K699 WeakPolarHBondContact O-CG 3.33Å; R695-K699 PolarHBondContact O-N 3.48Å |
| 696 | R | 79.3 | Confident | 73.6 | Confident | 196 Ų | 196 | 112.1 Ų | 112.1 | 74% | 0.74 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -46 | 167.7 | -87.7 | -176.5 | 166.4 | -177.6 | -3.5 | 111.3 | L692 Y693 K699 L700 | L692-R696 WeakPolarHBondContact O-CB 3.32Å; L692-R696 PolarHBondContact O-N 3.22Å; Y693-R696 WeakPolarHBondContact O-CB 3.49Å; Y693-R696 PolarHBondContact O-N 3.11Å; R696-K699 PolarHBondContact O-N 3.04Å; R696-L700 WeakPolarHBondContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CG 3.29Å; R696-L700 PolarHBondContact O-N 3.32Å |
| 697 | R | 78.4 | Confident | 71 | Confident | 160 Ų | 160 | 114.1 Ų | 114.1 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60 | -44.3 | 173.8 | -98.5 | -166.2 | 176.7 | -123.5 | 4.6 | 112.2 | Y693 L694 L700 A701 | Y693-R697 HydrophobicContact CE1-CG 4.22Å; Y693-R697 PolarHBondContact O-N 3.46Å; Y693-R697 PolarHBondContact OH-NE 2.93Å; L694-R697 CarbonylContact O-C 3.59Å; L694-R697 PolarHBondContact O-N 2.77Å; R697-L700 CarbonylContact O-C 3.51Å; R697-L700 PolarHBondContact O-N 2.94Å; R697-A701 WeakPolarHBondContact O-CB 3.47Å; R697-A701 PolarHBondContact O-N 3.04Å |
| 698 | L | 68.6 | Low | 68.4 | Low | 104 Ų | 104 | 117 Ų | 117 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 175.6 | -101.3 | 110 | 0 | 0 | 0 | 111.8 | L694 L700 A701 L702 | L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 WeakPolarHBondContact O-CD1 3.42Å; L694-L698 PolarHBondContact O-N 2.84Å; L698-L700 VanDerWaalsContact C-N 3.31Å; L698-L700 PolarHBondContact O-N 3Å; L698-A701 PolarHBondContact O-N 2.67Å; L698-L702 HydrophobicContact CD2-CD1 4.33Å; L698-L702 WeakPolarHBondContact O-CB 3.49Å; L698-L702 PolarHBondContact O-N 3.2Å |
| 699 | K | 68.9 | Low | 65.7 | Low | 153 Ų | 153 | 121 Ų | 121 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.8 | -36.2 | 171.6 | -82 | -165.5 | 171.1 | -163 | 0 | 112.6 | R695 R696 A701 G703 | R695-K699 WeakPolarHBondContact O-CB 3.46Å; R695-K699 WeakPolarHBondContact O-CG 3.33Å; R695-K699 PolarHBondContact O-N 3.48Å; R696-K699 PolarHBondContact O-N 3.04Å; K699-A701 VanDerWaalsContact C-N 3.35Å; K699-G703 WeakPolarHBondContact O-CA 3.4Å; K699-G703 PolarHBondContact O-N 3.44Å |
| 700 | L | 65.6 | Low | 63.2 | Low | 120 Ų | 120 | 123 Ų | 123 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.4 | -22.8 | 174.8 | -78.6 | 161.7 | 0 | 0 | 0 | 113.7 | R696 R697 L698 K704 | R696-L700 WeakPolarHBondContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CG 3.29Å; R696-L700 PolarHBondContact O-N 3.32Å; R697-L700 CarbonylContact O-C 3.51Å; R697-L700 PolarHBondContact O-N 2.94Å; L698-L700 VanDerWaalsContact C-N 3.31Å; L698-L700 PolarHBondContact O-N 3Å; L700-K704 WeakPolarHBondContact O-CG 3.49Å |
| 701 | A | 60.8 | Low | 60.5 | Low | 64 Ų | 64 | 129.1 Ų | 129.1 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -84.4 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R697 L698 K699 G703 K704 G705 | R697-A701 WeakPolarHBondContact O-CB 3.47Å; R697-A701 PolarHBondContact O-N 3.04Å; L698-A701 PolarHBondContact O-N 2.67Å; K699-A701 VanDerWaalsContact C-N 3.35Å; A701-G703 VanDerWaalsContact C-N 3.33Å; A701-G703 PolarHBondContact O-N 3.02Å; A701-K704 PolarHBondContact O-N 3.46Å; A701-G705 PolarHBondContact O-N 3.03Å |
| 702 | L | 55.8 | Low | 57.9 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -64.2 | -36.8 | 175.3 | -76 | 159.8 | 0 | 0 | 0 | 111.8 | L698 K704 G705 | L698-L702 HydrophobicContact CD2-CD1 4.33Å; L698-L702 WeakPolarHBondContact O-CB 3.49Å; L698-L702 PolarHBondContact O-N 3.2Å; L702-K704 PolarHBondContact O-N 3.07Å; L702-K704 VanDerWaalsContact O-N 3.08Å; L702-G705 PolarHBondContact O-N 3.3Å |
| 703 | G | 54.4 | Low | 55.1 | Low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 2.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | K699 A701 | K699-G703 WeakPolarHBondContact O-CA 3.4Å; K699-G703 PolarHBondContact O-N 3.44Å; A701-G703 VanDerWaalsContact C-N 3.33Å; A701-G703 PolarHBondContact O-N 3.02Å |
| 704 | K | 49 | Very low | 52.4 | Low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 10.2 | 168.8 | -70.4 | -173.9 | 173.8 | -168.3 | 0 | 112.7 | L700 A701 L702 | L700-K704 WeakPolarHBondContact O-CG 3.49Å; A701-K704 PolarHBondContact O-N 3.46Å; L702-K704 PolarHBondContact O-N 3.07Å; L702-K704 VanDerWaalsContact O-N 3.08Å |
| 705 | G | 50.3 | Low | 49.9 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -134.6 | 34.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | A701 L702 | A701-G705 PolarHBondContact O-N 3.03Å; L702-G705 PolarHBondContact O-N 3.3Å |
| 706 | A | 41.5 | Very low | 47.5 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -151.2 | 62.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 707 | D | 36.2 | Very low | 44.9 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -142.4 | 86.3 | 166.3 | -139.1 | -20.3 | 0 | 0 | 0 | 110.2 | ||||
| 708 | M | 37.8 | Very low | 43.4 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 89% | 0.892 | 75% | 0.745 | S | S | * | * | trans | -125.3 | 87.5 | -178.9 | -168.8 | 168.9 | 75.6 | 0 | 0 | 110.5 | ||||
| 709 | K | 33.4 | Very low | 41.7 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | 37.6 | 109.3 | 160 | -64.1 | -173.7 | 177.6 | -175.9 | 0 | 118 | ||||
| 710 | P | 37.4 | Very low | 39.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 166.4 | 155.6 | 33 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 711 | L | 31.5 | Very low | 38.1 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 165.4 | 176.4 | -132.8 | 75.7 | 0 | 0 | 0 | 112.5 | ||
| 712 | E | 32.3 | Very low | 38 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.8 | -175 | -58.7 | 172.8 | 99.8 | 0 | 0 | 114.4 | ||
| 713 | S | 28.2 | Very low | 36.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | -162.8 | 125.2 | 126.8 | -165.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 714 | T | 28.2 | Very low | 35.7 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | trans | 55 | 106.7 | 144 | 54.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 715 | L | 29.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 90.1 | 138.5 | 114 | -77.9 | 167 | 0 | 0 | 0 | 123.8 | |||||
| 716 | V | 29.4 | Very low | 37 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 89.7 | 141.8 | 161.9 | -161.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 717 | Y | 25.1 | Very low | 36.5 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -134.5 | -174.2 | -162.9 | -102.9 | -64.1 | 0 | 0 | 0 | 108.2 | ||||
| 718 | P | 48.2 | Very low | 36.1 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | cis | -138.8 | -157.1 | -20.4 | 29.5 | -3.8 | 0 | 0 | 0 | 113.4 | ||||
| 719 | I | 31.5 | Very low | 36.1 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 79.6 | 131.4 | 154 | -65.9 | 169 | 0 | 0 | 0 | 117.8 | ||||
| 720 | T | 29.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | cis | -157.1 | 160 | -15.9 | 25.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 721 | L | 30.3 | Very low | 36.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -77.9 | -171.5 | 164.1 | -83.1 | 157.2 | 0 | 0 | 0 | 113 | ||||
| 722 | P | 58.8 | Low | 36.4 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -136 | -171.6 | -34.1 | 35 | -16.7 | 0 | 0 | 0 | 113.3 | ||||
| 723 | K | 28.6 | Very low | 36.4 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | -166 | 172.2 | 117.9 | -107.9 | 174.7 | -178.1 | -179.2 | 0 | 114.7 | |||||
| 724 | E | 32.8 | Very low | 37.3 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -139.4 | -174.1 | -149.9 | -110.1 | -152.3 | 132.3 | 0 | 0 | 113.7 | ||||
| 725 | P | 60.9 | Low | 37.4 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -111.7 | -124.5 | -153.8 | 32.7 | -10.2 | 0 | 0 | 0 | 111.8 | ||||
| 726 | P | 64.7 | Low | 37.6 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -136 | -178 | -30.6 | 36.6 | -17.2 | 0 | 0 | 0 | 116 | ||||
| 727 | T | 31.5 | Very low | 37.8 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 172.2 | 123.5 | 129.6 | 29.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 728 | F | 29 | Very low | 38.1 | Very low | 179 Ų | 179 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 66.9 | 119 | 78.4 | -99.6 | -104.1 | 0 | 0 | 0 | 115.2 | |||||
| 729 | V | 36.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | 80 | 114.6 | 34 | -177.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 730 | P | 49.9 | Very low | 37 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | -140.2 | 174.2 | 92.8 | 28.1 | -7.9 | 0 | 0 | 0 | 113 | |||||
| 731 | S | 31.5 | Very low | 37 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -155.3 | -160 | -11.3 | 48.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 732 | K | 28.3 | Very low | 36.9 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -160 | -176.4 | 11.6 | -149 | 174.8 | 177.2 | 179.4 | 0 | 110.3 | ||||
| 733 | M | 32 | Very low | 35.4 | Very low | 166 Ų | 166 | 152 Ų | 152 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -144.1 | -175.8 | -177.2 | -76.7 | -77 | -85.7 | 0 | 0 | 108.3 | ||||
| 734 | P | 47.4 | Very low | 35.3 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | cis | -148.4 | -170.1 | 13.8 | 45.7 | -25.5 | 0 | 0 | 0 | 119 | ||||
| 735 | S | 30.7 | Very low | 35.2 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 104.7 | 143.9 | 138.7 | 66 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 736 | D | 33 | Very low | 33.8 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -121.5 | 157 | -169.9 | -51.9 | -90.8 | 0 | 0 | 0 | 111.8 | ||||
| 737 | E | 35 | Very low | 32.1 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 160.9 | 128.1 | 115.7 | -81.8 | -145.4 | 143.2 | 0 | 0 | 114.9 | |||||
| 738 | D | 31.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 43.1 | 133.8 | 142.6 | -105.1 | 31.8 | 0 | 0 | 0 | 126.1 | ||||
| 739 | R | 29.4 | Very low | 32.2 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | 93.8 | 117.6 | 137.2 | -76.7 | 168.6 | -171.2 | -131.4 | -2.9 | 124.1 | ||||
| 740 | F | 26.8 | Very low | 31.9 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | 51.4 | 116.9 | 128.6 | -95.8 | -100.3 | 0 | 0 | 0 | 120.7 | |||||
| 741 | W | 29.7 | Very low | 31 | Very low | 231 Ų | 231 | 150 Ų | 150 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | -160.6 | 178.3 | 114.1 | -95.3 | 112.4 | 0 | 0 | 0 | 110 | |||||
| 742 | E | 27.3 | Very low | 31 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -94 | 170.8 | -168.5 | -58 | 179.2 | 110.3 | 0 | 0 | 114.7 | ||||
| 743 | T | 27.9 | Very low | 31.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | 69.2 | 135.1 | 161.3 | 65.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 744 | G | 26.6 | Very low | 31 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 116.9 | 82.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 745 | A | 30.5 | Very low | 30.2 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | 66.4 | 137.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 746 | N | 30.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 152 Ų | 152 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | 72.3 | 150.4 | 155.5 | -55.6 | -15.3 | 0 | 0 | 0 | 117.4 | ||||
| 747 | Y | 29.6 | Very low | 29.8 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | -149.6 | 150.4 | 19.7 | -101.1 | -62.9 | 0 | 0 | 0 | 113.9 | ||||
| 748 | Y | 31.1 | Very low | 29.7 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | 57.7 | 155.8 | 153.4 | -73.7 | -63.3 | 0 | 0 | 0 | 120.4 | ||||
| 749 | Y | 30.9 | Very low | 29.5 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | cis | -134.7 | 118.6 | -2.5 | -103.3 | -76.4 | 0 | 0 | 0 | 107.6 | ||||
| 750 | S | 30.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | 79.9 | 110.9 | 97.7 | 79.2 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 751 | D | 31 | Very low | 29.5 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -112.8 | 109 | 162 | 56.7 | -41 | 0 | 0 | 0 | 110.6 | S753 | D751-S753 PolarHBondContact O-N 2.82Š| ||
| 752 | G | 30.7 | Very low | 29.5 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -85.3 | 98 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 753 | S | 31.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -152 | 104.1 | 167.6 | -80.9 | 0 | 0 | 0 | 0 | 112.4 | D751 | D751-S753 PolarHBondContact O-N 2.82Š| ||
| 754 | L | 30.2 | Very low | 30.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -119.7 | 110 | -170 | -130.8 | 168 | 0 | 0 | 0 | 111.5 | I756 | L754-I756 HydrophobicContact CD2-CG1 4.08Š| ||
| 755 | K | 28.8 | Very low | 30.4 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -81.9 | 140.7 | 162.8 | -84 | -178 | 173.4 | 178.3 | 0 | 109.3 | ||||
| 756 | I | 30 | Very low | 30.4 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -121.5 | 131.4 | 170.3 | -60.6 | 178.5 | 0 | 0 | 0 | 109.5 | L754 | L754-I756 HydrophobicContact CD2-CG1 4.08Š| ||
| 757 | V | 27 | Very low | 30.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -131.5 | 134.2 | 162.5 | 178.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 758 | P | 32 | Very low | 30.4 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -87.7 | 151 | -159.7 | 33.2 | -36.7 | 0 | 0 | 0 | 115.2 | ||||
| 759 | G | 26.9 | Very low | 30.4 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -117.4 | 153.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 760 | H | 28.8 | Very low | 30.3 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 89% | 0.889 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 148.6 | -174 | -68.1 | 35.5 | 0 | 0 | 0 | 113.4 | ||||
| 761 | A | 28.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -162.9 | 95.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 762 | L | 30.1 | Very low | 30.2 | Very low | 178 Ų | 178 | 125 Ų | 125 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | 30.5 | 111.1 | 139.7 | -59.3 | 170.9 | 0 | 0 | 0 | 123 | ||||
| 763 | G | 29 | Very low | 30.8 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 81.5 | 165.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 764 | P | 39.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | cis | -110.7 | -168.7 | 6.3 | 41.3 | -32 | 0 | 0 | 0 | 115 | ||||
| 765 | S | 31.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -93.5 | 149 | -162.4 | 54.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 766 | S | 31.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | -172.6 | 118.3 | 126.3 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 767 | V | 30.7 | Very low | 31 | Very low | 131 Ų | 131 | 119 Ų | 119 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 49.9 | 119.1 | 130.2 | -170.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 768 | S | 29.8 | Very low | 31.1 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 67.7 | 165.4 | 149.8 | 77.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 769 | S | 30.4 | Very low | 31.1 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | cis | -168.7 | 143.7 | -35.5 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 770 | T | 28.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 50.2 | 132.5 | 153.4 | 53.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 771 | A | 29.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 118 Ų | 118 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 85.6 | 137.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 772 | S | 30.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -72.8 | 174.5 | 159.2 | -32.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 773 | P | 43.1 | Very low | 31 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -149.2 | -171.1 | 23.9 | 43.5 | -21.7 | 0 | 0 | 0 | 118.4 | ||||
| 774 | S | 31.4 | Very low | 31 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 81.5 | 111.4 | 146.3 | -62.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 775 | A | 27.4 | Very low | 30.5 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | 92.7 | 114.1 | 121.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 776 | I | 30 | Very low | 30.4 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 63.3 | 142.2 | 121.1 | -60.6 | 170.4 | 0 | 0 | 0 | 119.5 | |||||
| 777 | P | 35.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | cis | -130.2 | 176.4 | -19 | 37.3 | -20.1 | 0 | 0 | 0 | 115.1 | ||||
| 778 | G | 29 | Very low | 30 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 162.6 | 107.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 779 | Q | 31.2 | Very low | 30 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -119.1 | 147.9 | 171.6 | -102.7 | -173.4 | -5.8 | 0 | 0 | 109.4 | ||||
| 780 | P | 34.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -145.6 | -179.8 | 72.8 | 32.1 | -9.9 | 0 | 0 | 0 | 115 | |||||
| 781 | I | 26.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | cis | -163.6 | 152.6 | -27.8 | -101.2 | 166.3 | 0 | 0 | 0 | 107.6 | ||||
| 782 | H | 25.3 | Very low | 29.8 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 63.3 | 148.3 | 171.5 | -64.7 | -34.9 | 0 | 0 | 0 | 118.5 | ||||
| 783 | S | 26 | Very low | 29.7 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -161.2 | 132.3 | -20 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 784 | P | 29.8 | Very low | 28.9 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -104 | 146.4 | -179.1 | 37 | -32.3 | 0 | 0 | 0 | 114.1 | ||||
| 785 | S | 28.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -125.3 | 65.7 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 786 | R | 29.6 | Very low | 29.2 | Very low | 250 Ų | 250 | 138.1 Ų | 138.1 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -145.3 | 110.3 | 158.5 | -100 | -170.4 | 178.4 | -165.3 | -0.2 | 110.5 | ||||
| 787 | L | 26.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -87 | 121 | 168.2 | -88.4 | 162.7 | 0 | 0 | 0 | 109.4 | ||||
| 788 | S | 26.3 | Very low | 29.3 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -94 | 127.9 | 162.8 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 789 | L | 30.3 | Very low | 29.2 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -112.8 | 78 | 176.4 | -73.7 | 174.2 | 0 | 0 | 0 | 110 | ||||
| 790 | T | 25.8 | Very low | 29 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | trans | -88.3 | 146.7 | 158.1 | 42 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 791 | N | 29.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 64.3 | 101 | -180 | -56.6 | -27.9 | 0 | 0 | 0 | 116.5 | ||||
| 792 | I | 28.7 | Very low | 28.8 | Very low | 169 Ų | 169 | 148 Ų | 148 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | -157.1 | 122.4 | 120.4 | -94.9 | 145.9 | 0 | 0 | 0 | 107.6 | |||||
| 793 | R | 28.8 | Very low | 28.8 | Very low | 224 Ų | 224 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 125.5 | 158.4 | -85.7 | -175 | 173 | -177.6 | -2.8 | 106.8 | ||||
| 794 | G | 26.7 | Very low | 28.9 | Very low | 71 Ų | 71 | 149.6 Ų | 149.6 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -171.5 | 122.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 795 | S | 31.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -92.6 | 147.6 | -168.8 | -169.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 796 | G | 34.1 | Very low | 28.6 | Very low | 69 Ų | 69 | 151.2 Ų | 151.2 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 80.4 | 80.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 797 | S | 29.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -157.2 | 149.7 | 142.7 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 798 | N | 36.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | trans | -75.8 | 124.3 | 171.4 | -69.9 | -33.2 | 0 | 0 | 0 | 109.2 | ||||
| 799 | G | 27.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -151.5 | 108.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 800 | Y | 28.3 | Very low | 28.8 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -66.6 | 140.2 | 153.6 | -77 | -98.7 | 0 | 0 | 0 | 108.5 | R802 | Y800-R802 PolarHBondContact O-N 3.14Š| ||
| 801 | I | 28.5 | Very low | 29 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -70.1 | 97.6 | 178.1 | -58 | 176.5 | 0 | 0 | 0 | 109.5 | L803 | I801-L803 HydrophobicContact CG2-CD2 4.46Å; I801-L803 HydrophobicContact CG2-CG 4.47Å | ||
| 802 | R | 26.6 | Very low | 28.9 | Very low | 234 Ų | 234 | 147.3 Ų | 147.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -88.9 | 110.9 | 159.3 | -84.7 | -175.3 | 167.9 | 172.5 | -3.4 | 108.7 | Y800 N804 | Y800-R802 PolarHBondContact O-N 3.14Å; R802-N804 PolarHBondContact O-N 2.92Å | ||
| 803 | L | 25.5 | Very low | 28.9 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -68.9 | 124.1 | 164.5 | -67.1 | 170.2 | 0 | 0 | 0 | 108.8 | I801 | I801-L803 HydrophobicContact CG2-CD2 4.46Å; I801-L803 HydrophobicContact CG2-CG 4.47Å | ||
| 804 | N | 27.4 | Very low | 29 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -148.7 | 134.4 | 163.4 | -118.4 | -2.2 | 0 | 0 | 0 | 108 | R802 | R802-N804 PolarHBondContact O-N 2.92Š| ||
| 805 | L | 27.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 139.1 | -176.5 | -68.2 | 86.8 | 0 | 0 | 0 | 110.6 | ||
| 806 | S | 26.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 122.5 | 170.8 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 807 | T | 30.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -94 | 133.6 | 156.7 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 808 | A | 28.9 | Very low | 29 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 161.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 809 | G | 29.2 | Very low | 28.7 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -173.5 | 132.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 810 | E | 29.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | -69.8 | 169.3 | 179 | -66.9 | 131.5 | 118.5 | 0 | 0 | 113.3 | ||||
| 811 | E | 28.3 | Very low | 29 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 65% | 0.645 | 84% | 0.843 | S | S | * | * | cis | -154.9 | 177.9 | -13 | -124.5 | -152.1 | 131.6 | 0 | 0 | 111.1 | ||||
| 812 | R | 28.4 | Very low | 29 | Very low | 211 Ų | 211 | 127.8 Ų | 127.8 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | trans | -7.6 | 127.3 | 159.6 | -64.5 | 169.2 | 164 | 128.6 | -10.8 | 119 | ||||
| 813 | A | 29.3 | Very low | 29.2 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | -158.9 | 148.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 814 | S | 30.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -105.9 | 139.2 | 174.6 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 815 | G | 30.3 | Very low | 29.5 | Very low | 84 Ų | 84 | 117.8 Ų | 117.8 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 163.7 | 130.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 816 | A | 31 | Very low | 29.6 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | trans | -119.4 | 139 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 817 | G | 29.9 | Very low | 29.7 | Very low | 69 Ų | 69 | 116.5 Ų | 116.5 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | trans | 149.6 | 110 | 164 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 818 | V | 31.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 117 Ų | 117 | 98% | 0.982 | 85% | 0.847 | S | S | * | * | trans | 63.2 | 129.2 | 141.8 | -169.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 819 | G | 29.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 115.3 Ų | 115.3 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | 153.6 | 104.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 820 | G | 30.5 | Very low | 29.6 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -64.8 | 152 | -173.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 821 | G | 29.7 | Very low | 29.6 | Very low | 87 Ų | 87 | 115 Ų | 115 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | 81.5 | 143.8 | 129.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 822 | G | 29.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | 141 | 91.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 823 | L | 29.9 | Very low | 30 | Very low | 185 Ų | 185 | 116 Ų | 116 | 97% | 0.969 | 86% | 0.855 | S | S | * | * | trans | 11.9 | 132.7 | 145 | -67.4 | 158.6 | 0 | 0 | 0 | 122.5 | ||||
| 824 | G | 30.3 | Very low | 30.4 | Very low | 86 Ų | 86 | 115.1 Ų | 115.1 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | 90.1 | 156.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 825 | G | 29.4 | Very low | 30.9 | Very low | 70 Ų | 70 | 113 Ų | 113 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | cis | 162 | 122.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 826 | L | 29.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 114.7 Ų | 114.7 | 100% | 1.005 | 82% | 0.823 | S | S | * | * | trans | 63.9 | 149.9 | 166.6 | -60.6 | 166.4 | 0 | 0 | 0 | 119.2 | ||||
| 827 | G | 28.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 140.3 | 64 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 828 | V | 29.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | 18.8 | 132.6 | 140.7 | -176.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 829 | G | 27.6 | Very low | 33 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | 135.2 | 99.8 | 123.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 830 | G | 27.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 82 | 154.4 | 152 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 831 | N | 30 | Very low | 34.4 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | cis | -149 | 159.1 | -2.8 | -132.2 | 13.4 | 0 | 0 | 0 | 111.3 | ||||
| 832 | D | 32.7 | Very low | 35 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -74.9 | 151.8 | -174.6 | -91.3 | -66.9 | 0 | 0 | 0 | 115.6 | ||||
| 833 | Y | 31.5 | Very low | 35.7 | Very low | 239 Ų | 239 | 128.8 Ų | 128.8 | 94% | 0.937 | 74% | 0.738 | S | S | * | * | trans | -141.9 | 99.2 | 142.2 | -102.8 | -79.3 | 0 | 0 | 0 | 109.5 | ||||
| 834 | S | 37.2 | Very low | 36.4 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | trans | -84.4 | 132.5 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 835 | S | 41.8 | Very low | 36.9 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 56% | 0.559 | 71% | 0.709 | S | S | * | * | trans | -87 | 155.9 | 173.9 | 74.6 | 0 | 0 | 0 | 0 | 112.8 | F837 | S835-F837 PolarHBondContact O-N 3.45Š| ||
| 836 | P | 41.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -11.4 | -170.2 | -24 | 35.2 | 0 | 0 | 0 | 116.2 | K838 | P836-K838 VanDerWaalsContact C-N 3.26Å; P836-K838 PolarHBondContact O-N 3.5Å |
| 837 | F | 38.5 | Very low | 38.1 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.5 | -17 | -172.9 | -153.8 | -100.2 | 0 | 0 | 0 | 113.7 | S835 | S835-F837 PolarHBondContact O-N 3.45Å |
| 838 | K | 41 | Very low | 38.4 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 61% | 0.613 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -80.9 | -31.8 | -173.4 | -149.7 | 172.8 | -174.2 | 177.8 | 0 | 113.2 | P836 R842 | P836-K838 VanDerWaalsContact C-N 3.26Å; P836-K838 PolarHBondContact O-N 3.5Å; K838-R842 PolarHBondContact O-N 2.88Å |
| 839 | E | 47.1 | Very low | 38.6 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 51% | 0.514 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -74.5 | -41.2 | 179.7 | -107.8 | 46.3 | -123.7 | 0 | 0 | 112.3 | L841 R842 R843 | E839-L841 VanDerWaalsContact C-N 3.34Å; E839-L841 PolarHBondContact O-N 3.47Å; E839-R842 WeakPolarHBondContact O-CA 3.32Å; E839-R842 VanDerWaalsContact O-CB 3.31Å; E839-R842 WeakPolarHBondContact O-CB 3.5Å; E839-R842 PolarHBondContact O-N 3.39Å; E839-R842 VanDerWaalsContact O-N 3.07Å; E839-R843 PolarHBondContact O-N 3.21Å |
| 840 | E | 46.9 | Very low | 39 | Very low | 108 Ų | 108 | 139 Ų | 139 | 51% | 0.505 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -67.3 | -35.6 | -179 | -160.2 | 58.1 | -143.7 | 0 | 0 | 112 | R842 R843 T844 | E840-R842 VanDerWaalsContact C-N 3.31Å; E840-R842 PolarHBondContact O-N 3.37Å; E840-R843 PolarHBondContact O-N 3.38Å; E840-T844 PolarHBondContact O-N 2.93Å; E840-T844 VanDerWaalsContact O-N 3.13Å; E840-T844 PolarHBondContact O-OG1 3.13Å |
| 841 | L | 41 | Very low | 39.2 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 55% | 0.55 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -67 | -32.4 | 172 | -168.9 | 67.4 | 0 | 0 | 0 | 112.1 | E839 T844 L845 | E839-L841 VanDerWaalsContact C-N 3.34Å; E839-L841 PolarHBondContact O-N 3.47Å; L841-T844 WeakPolarHBondContact CA-OG1 3.44Å; L841-T844 PolarHBondContact O-OG1 3.49Å; L841-L845 HydrophobicContact CG-CD1 4.46Å; L841-L845 WeakPolarHBondContact O-CD1 3.49Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 3.43Å |
| 842 | R | 43.8 | Very low | 39.3 | Very low | 157 Ų | 157 | 140 Ų | 140 | 59% | 0.592 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.4 | -42.5 | 173.9 | -120.1 | 180 | -176.1 | 139.5 | 1.3 | 111.8 | K838 E839 E840 L845 Q846 | K838-R842 PolarHBondContact O-N 2.88Å; E839-R842 WeakPolarHBondContact O-CA 3.32Å; E839-R842 VanDerWaalsContact O-CB 3.31Å; E839-R842 WeakPolarHBondContact O-CB 3.5Å; E839-R842 PolarHBondContact O-N 3.39Å; E839-R842 VanDerWaalsContact O-N 3.07Å; E840-R842 VanDerWaalsContact C-N 3.31Å; E840-R842 PolarHBondContact O-N 3.37Å; R842-L845 PolarHBondContact O-N 3.07Å; R842-Q846 PolarHBondContact O-N 3.34Å |
| 843 | R | 43.6 | Very low | 39.7 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | -179.1 | -166.6 | -179.9 | -171 | 179.7 | 2.8 | 112.4 | E839 E840 | E839-R843 PolarHBondContact O-N 3.21Å; E840-R843 PolarHBondContact O-N 3.38Å |
| 844 | T | 44.3 | Very low | 39.5 | Very low | 86 Ų | 86 | 135 Ų | 135 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -71.4 | -30.3 | 177.9 | 40.4 | 0 | 0 | 0 | 0 | 113.5 | E840 L841 Q846 | E840-T844 PolarHBondContact O-N 2.93Å; E840-T844 VanDerWaalsContact O-N 3.13Å; E840-T844 PolarHBondContact O-OG1 3.13Å; L841-T844 WeakPolarHBondContact CA-OG1 3.44Å; L841-T844 PolarHBondContact O-OG1 3.49Å; T844-Q846 VanDerWaalsContact C-N 3.34Å; T844-Q846 PolarHBondContact O-N 3.32Å |
| 845 | L | 40.6 | Very low | 39.2 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -75.7 | -15.2 | 178 | -74.7 | 170.6 | 0 | 0 | 0 | 114.6 | L841 R842 | L841-L845 HydrophobicContact CG-CD1 4.46Å; L841-L845 WeakPolarHBondContact O-CD1 3.49Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 3.43Å; R842-L845 PolarHBondContact O-N 3.07Å |
| 846 | Q | 41.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 0.4 | -178.8 | -72.7 | -176.5 | -28.7 | 0 | 0 | 114.8 | R842 T844 | R842-Q846 PolarHBondContact O-N 3.34Å; T844-Q846 VanDerWaalsContact C-N 3.34Å; T844-Q846 PolarHBondContact O-N 3.32Å |
| 847 | Q | 43.3 | Very low | 38.4 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -107.3 | 21.8 | -172.1 | -69.8 | -164.4 | -36 | 0 | 0 | 115.9 | ||||
| 848 | R | 34.2 | Very low | 38.2 | Very low | 243 Ų | 243 | 143.6 Ų | 143.6 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -110.1 | 124.7 | 169.5 | -86 | -174.1 | 168.1 | -179.4 | -3.9 | 112.1 | ||||
| 849 | S | 33.9 | Very low | 37.5 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -75.3 | 157.1 | 172.5 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 850 | V | 36 | Very low | 36.6 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | -83.9 | 139.9 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 851 | L | 32.3 | Very low | 35.9 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -125.3 | 149.2 | 162.3 | -80.1 | 170.2 | 0 | 0 | 0 | 108.7 | ||||
| 852 | P | 32.7 | Very low | 35.7 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -80.2 | 171.8 | -166.2 | 33 | -37.3 | 0 | 0 | 0 | 114.4 | ||||
| 853 | D | 40.3 | Very low | 35.2 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -53.6 | 137.9 | -166.5 | -57.6 | -77.7 | 0 | 0 | 0 | 116.3 | ||||
| 854 | A | 28.7 | Very low | 34.8 | Very low | 94 Ų | 94 | 149.7 Ų | 149.7 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -131 | 142.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 855 | N | 29.3 | Very low | 34.2 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 78% | 0.775 | 85% | 0.85 | S | S | * | * | trans | -76.8 | 132.2 | -165.2 | -161.7 | 36.8 | 0 | 0 | 0 | 112.7 | E857 | N855-E857 PolarHBondContact O-N 2.99Š| ||
| 856 | P | 33.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -87.8 | 64.3 | -167.6 | 36.1 | -38 | 0 | 0 | 0 | 114.5 | ||
| 857 | E | 33.2 | Very low | 33.3 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -126.3 | 15.1 | 168 | -76 | -151.9 | 135.3 | 0 | 0 | 114.5 | N855 | N855-E857 PolarHBondContact O-N 2.99Š|
| 858 | E | 34.3 | Very low | 32.6 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 90% | 0.897 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -141.5 | 53.9 | -175.2 | -148.3 | 168.7 | -127 | 0 | 0 | 115.5 | ||
| 859 | S | 27.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 87% | 0.867 | S | S | * | * | trans | -153.6 | 97.5 | 166.1 | 69.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 860 | S | 27.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 86% | 0.86 | 87% | 0.872 | S | S | * | * | trans | -158.4 | 105.9 | 149.7 | 63 | 0 | 0 | 0 | 0 | 110 | ||||
| 861 | V | 32.8 | Very low | 32 | Very low | 223 Ų | 223 | 149.5 Ų | 149.5 | 100% | 1.352 | 87% | 0.874 | S | S | * | * | trans | -109.4 | 0 | 167.3 | 177.3 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 861 of 861 residues in 557.3 ms
(Link to these results)