| 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 | 88.8 | Confident | 90.2 | Very high | 129 Ų | 129 | 86.5 Ų | 86.5 | 64% | 0.635 | 46% | 0.455 | S | S | * | . | 0 | 129.1 | 0 | -179.4 | 175.7 | -85.5 | 0 | 0 | 108.5 | V3 Y11 W12 I14 | M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.3Å; M1-Y11 WeakPolarHBondContact O-CA 3.28Å; M1-W12 PolarHBondContact N-O 3.36Å; M1-W12 PolarHBondContact O-N 3.3Å; M1-W12 HydrophobicContact SD-CE3 3.95Å; M1-W12 HydrophobicContact SD-CZ3 4.26Å; M1-I14 HydrophobicContact CB-CD1 4.34Å; M1-I14 HydrophobicContact CB-CG1 4.45Å; M1-I14 HydrophobicContact CE-CD1 4.15Å | |||
| 2 | R | 91.6 | Very high | 90.1 | Very high | 154 Ų | 154 | 87.7 Ų | 87.7 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.2 | 172.7 | 177.9 | -177.4 | 169.4 | -151.7 | -4.7 | 108 | T9 Y11 | R2-T9 HydrophobicContact CG-CG2 3.67Å; R2-T9 VanDerWaalsContact NE-CG2 3.32Å; R2-Y11 HydrophobicContact CB-CD1 3.95Å; R2-Y11 HydrophobicContact CB-CE1 3.84Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.67Å |
| 3 | V | 91.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 88 Ų | 88 | 23% | 0.23 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.8 | 179.3 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | M1 T9 Y10 | M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.3Å; V3-T9 WeakPolarHBondContact O-CA 3.32Å; V3-Y10 HydrophobicContact CB-CD1 4.31Å; V3-Y10 HydrophobicContact CB-CD2 4.16Å; V3-Y10 HydrophobicContact CB-CE1 3.85Å; V3-Y10 HydrophobicContact CB-CE2 3.68Å; V3-Y10 HydrophobicContact CB-CG 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.74Å; V3-Y10 HydrophobicContact CG1-CE2 4.13Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.47Å; V3-Y10 VanDerWaalsContact CG1-OH 3.32Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.08Å; V3-Y10 HydrophobicContact CG2-CE2 3.97Å; V3-Y10 PolarHBondContact N-O 3.16Å; V3-Y10 PolarHBondContact O-N 2.86Å; V3-Y10 VanDerWaalsContact O-O 3.05Å |
| 4 | Q | 94.1 | Very high | 89.7 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 64% | 0.64 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.1 | -179.5 | -171 | 167.4 | 15.8 | 0 | 0 | 109.3 | G8 | Q4-G8 WeakPolarHBondContact CA-O 3.32Å |
| 5 | D | 88.6 | Confident | 89.2 | Confident | 71 Ų | 71 | 90.3 Ų | 90.3 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | -171.3 | 179.9 | 66.4 | 17.1 | 0 | 0 | 0 | 111.3 | S7 G8 Y10 | D5-S7 PolarHBondContact O-N 2.99Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.45Å; D5-S7 WeakPolarHBondContact OD1-CB 3.41Å; D5-S7 PolarHBondContact OD1-N 3.13Å; D5-G8 PolarHBondContact N-O 2.84Å; D5-G8 PolarHBondContact O-N 3.37Å; D5-G8 PolarHBondContact OD1-N 3.25Å; D5-Y10 WeakPolarHBondContact OD2-CE1 3.43Å |
| 6 | T | 87.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 89.4 Ų | 89.4 | 93% | 0.926 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.4 | 178.2 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 7 | S | 82.3 | Confident | 88.7 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 66% | 0.664 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -15.9 | -176.8 | -56 | 0 | 0 | 0 | 0 | 112.6 | D5 | D5-S7 PolarHBondContact O-N 2.99Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.45Å; D5-S7 WeakPolarHBondContact OD1-CB 3.41Å; D5-S7 PolarHBondContact OD1-N 3.13Å |
| 8 | G | 88.3 | Confident | 88.5 | Confident | 28 Ų | 28 | 85.4 Ų | 85.4 | 29% | 0.289 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147 | -160.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q4 D5 | Q4-G8 WeakPolarHBondContact CA-O 3.32Å; D5-G8 PolarHBondContact N-O 2.84Å; D5-G8 PolarHBondContact O-N 3.37Å; D5-G8 PolarHBondContact OD1-N 3.25Å |
| 9 | T | 93.4 | Very high | 88.7 | Confident | 36 Ų | 36 | 86 Ų | 86 | 22% | 0.221 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.4 | 171.3 | -61.8 | 0 | 0 | 0 | 0 | 108.9 | R2 V3 Y11 | R2-T9 HydrophobicContact CG-CG2 3.67Å; R2-T9 VanDerWaalsContact NE-CG2 3.32Å; V3-T9 WeakPolarHBondContact O-CA 3.32Å; T9-Y11 HydrophobicContact CG2-CE2 3.99Å |
| 10 | Y | 92.2 | Very high | 88.7 | Confident | 62 Ų | 62 | 85.6 Ų | 85.6 | 24% | 0.243 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 161.3 | 170.4 | 66.2 | -88.3 | 0 | 0 | 0 | 111.2 | V3 D5 T19 W21 | V3-Y10 HydrophobicContact CB-CD1 4.31Å; V3-Y10 HydrophobicContact CB-CD2 4.16Å; V3-Y10 HydrophobicContact CB-CE1 3.85Å; V3-Y10 HydrophobicContact CB-CE2 3.68Å; V3-Y10 HydrophobicContact CB-CG 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.74Å; V3-Y10 HydrophobicContact CG1-CE2 4.13Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.47Å; V3-Y10 VanDerWaalsContact CG1-OH 3.32Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.08Å; V3-Y10 HydrophobicContact CG2-CE2 3.97Å; V3-Y10 PolarHBondContact N-O 3.16Å; V3-Y10 PolarHBondContact O-N 2.86Å; V3-Y10 VanDerWaalsContact O-O 3.05Å; D5-Y10 WeakPolarHBondContact OD2-CE1 3.43Å; Y10-T19 HydrophobicContact CD2-CG2 4.44Å; Y10-W21 HydrophobicContact CD1-CZ3 4.3Å |
| 11 | Y | 92.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.6 | -176.7 | -59.1 | -94.4 | 0 | 0 | 0 | 109.1 | M1 R2 T9 T19 Q20 E22 P23 P24 | M1-Y11 WeakPolarHBondContact O-CA 3.28Å; R2-Y11 HydrophobicContact CB-CD1 3.95Å; R2-Y11 HydrophobicContact CB-CE1 3.84Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.67Å; T9-Y11 HydrophobicContact CG2-CE2 3.99Å; Y11-T19 WeakPolarHBondContact O-CA 3.31Å; Y11-Q20 PolarHBondContact N-O 3Å; Y11-Q20 PolarHBondContact O-N 2.84Å; Y11-E22 VanDerWaalsContact CD2-O 3.29Å; Y11-E22 WeakPolarHBondContact CD2-O 3.23Å; Y11-P23 HydrophobicContact CE1-CB 4.31Å; Y11-P23 HydrophobicContact CE2-CB 3.85Å; Y11-P24 HydrophobicContact CD1-CG 4.1Å; Y11-P24 HydrophobicContact CG-CG 4.38Å |
| 12 | W | 89.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.2 | 179.6 | -178.3 | 39.6 | 0 | 0 | 0 | 110.5 | M1 I14 T19 | M1-W12 PolarHBondContact N-O 3.36Å; M1-W12 PolarHBondContact O-N 3.3Å; M1-W12 HydrophobicContact SD-CE3 3.95Å; M1-W12 HydrophobicContact SD-CZ3 4.26Å; W12-I14 HydrophobicContact CD2-CG1 4.43Å; W12-I14 HydrophobicContact CE3-CG1 4.19Å; W12-I14 HydrophobicContact CZ3-CG1 4.29Å; W12-T19 HydrophobicContact CB-CG2 4.41Å; W12-T19 HydrophobicContact CG-CG2 4.35Å |
| 13 | H | 90.3 | Very high | 88.2 | Confident | 92 Ų | 92 | 87.1 Ų | 87.1 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 104.5 | 174.1 | -169.3 | -108.4 | 0 | 0 | 0 | 109.6 | T16 G17 T18 | H13-T16 WeakPolarHBondContact CB-OG1 3.32Å; H13-T16 WeakPolarHBondContact ND1-CB 3.44Å; H13-T16 VanDerWaalsContact ND1-CG2 3.3Å; H13-T16 WeakPolarHBondContact ND1-CG2 3.29Å; H13-T16 PolarHBondContact ND1-N 3.41Å; H13-T16 PolarHBondContact ND1-OG1 2.93Å; H13-T16 PolarHBondContact O-N 2.89Å; H13-G17 WeakPolarHBondContact O-CA 3.44Å; H13-G17 PolarHBondContact O-N 2.95Å; H13-T18 PolarHBondContact N-O 2.96Å |
| 14 | I | 85.1 | Confident | 87.4 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -44.8 | -172.8 | -56.9 | 170 | 0 | 0 | 0 | 112.2 | M1 W12 T16 | M1-I14 HydrophobicContact CB-CD1 4.34Å; M1-I14 HydrophobicContact CB-CG1 4.45Å; M1-I14 HydrophobicContact CE-CD1 4.15Å; W12-I14 HydrophobicContact CD2-CG1 4.43Å; W12-I14 HydrophobicContact CE3-CG1 4.19Å; W12-I14 HydrophobicContact CZ3-CG1 4.29Å; I14-T16 PolarHBondContact O-N 2.81Å |
| 15 | P | 81.2 | Confident | 86.4 | Confident | 111 Ų | 111 | 86 Ų | 86 | 72% | 0.721 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -36 | -178 | -22.8 | 34.4 | 0 | 0 | 0 | 114.7 | ||
| 16 | T | 82.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -16.1 | -177 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | H13 I14 T18 | H13-T16 WeakPolarHBondContact CB-OG1 3.32Å; H13-T16 WeakPolarHBondContact ND1-CB 3.44Å; H13-T16 VanDerWaalsContact ND1-CG2 3.3Å; H13-T16 WeakPolarHBondContact ND1-CG2 3.29Å; H13-T16 PolarHBondContact ND1-N 3.41Å; H13-T16 PolarHBondContact ND1-OG1 2.93Å; H13-T16 PolarHBondContact O-N 2.89Å; I14-T16 PolarHBondContact O-N 2.81Å; T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 PolarHBondContact OG1-N 3.24Å; T16-T18 PolarHBondContact OG1-OG1 3.28Å |
| 17 | G | 88.7 | Confident | 82.7 | Confident | 33 Ų | 33 | 91.6 Ų | 91.6 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 11.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H13 | H13-G17 WeakPolarHBondContact O-CA 3.44Å; H13-G17 PolarHBondContact O-N 2.95Å |
| 18 | T | 85.3 | Confident | 80.6 | Confident | 75 Ų | 75 | 91.8 Ų | 91.8 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 140.6 | -178.3 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | H13 T16 | H13-T18 PolarHBondContact N-O 2.96Å; T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 PolarHBondContact OG1-N 3.24Å; T16-T18 PolarHBondContact OG1-OG1 3.28Å |
| 19 | T | 91.5 | Very high | 78.7 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.7 | 175.2 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | Y10 Y11 W12 | Y10-T19 HydrophobicContact CD2-CG2 4.44Å; Y11-T19 WeakPolarHBondContact O-CA 3.31Å; W12-T19 HydrophobicContact CB-CG2 4.41Å; W12-T19 HydrophobicContact CG-CG2 4.35Å |
| 20 | Q | 89.8 | Confident | 76.4 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.4 | 177.5 | 62.1 | -177.4 | 65.8 | 0 | 0 | 110.7 | Y11 E22 | Y11-Q20 PolarHBondContact N-O 3Å; Y11-Q20 PolarHBondContact O-N 2.84Å; Q20-E22 WeakPolarHBondContact CG-O 3.46Å; Q20-E22 PolarHBondContact NE2-O 2.84Å |
| 21 | W | 89.5 | Confident | 73.9 | Confident | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.633 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -85.7 | -28.1 | 178.6 | -64.5 | 101.8 | 0 | 0 | 0 | 112.3 | Y10 | Y10-W21 HydrophobicContact CD1-CZ3 4.3Š|
| 22 | E | 85.9 | Confident | 71.5 | Confident | 149 Ų | 149 | 107.3 Ų | 107.3 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -79.3 | 139.6 | 177.7 | -70.6 | 143.4 | -172.2 | 0 | 0 | 110.8 | Y11 Q20 | Y11-E22 VanDerWaalsContact CD2-O 3.29Å; Y11-E22 WeakPolarHBondContact CD2-O 3.23Å; Q20-E22 WeakPolarHBondContact CG-O 3.46Å; Q20-E22 PolarHBondContact NE2-O 2.84Å |
| 23 | P | 81.4 | Confident | 69 | Low | 84 Ų | 84 | 108 Ų | 108 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 130.6 | 172.5 | 21.4 | -28.9 | 0 | 0 | 0 | 110 | Y11 G25 | Y11-P23 HydrophobicContact CE1-CB 4.31Å; Y11-P23 HydrophobicContact CE2-CB 3.85Å; P23-G25 PolarHBondContact O-N 2.84Å |
| 24 | P | 76.1 | Confident | 66.7 | Low | 80 Ų | 80 | 109.7 Ų | 109.7 | 52% | 0.519 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 121.2 | 170.9 | 21.5 | -29.5 | 0 | 0 | 0 | 107.2 | Y11 R26 | Y11-P24 HydrophobicContact CD1-CG 4.1Å; Y11-P24 HydrophobicContact CG-CG 4.38Å; P24-R26 PolarHBondContact O-N 3.05Å |
| 25 | G | 73.4 | Confident | 64.6 | Low | 72 Ų | 72 | 110.6 Ų | 110.6 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P23 A27 | P23-G25 PolarHBondContact O-N 2.84Å; G25-A27 PolarHBondContact O-N 3.21Å; G25-A27 VanDerWaalsContact O-N 3.1Å |
| 26 | R | 52.5 | Low | 62.4 | Low | 238 Ų | 238 | 114.5 Ų | 114.5 | 90% | 0.898 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117 | 162.1 | -100.8 | -177.5 | 175.9 | -164.7 | -1.7 | 106.3 | P24 S28 | P24-R26 PolarHBondContact O-N 3.05Å; R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.66Å |
| 27 | A | 46.1 | Very low | 60.2 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | -57 | 104.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | G25 | G25-A27 PolarHBondContact O-N 3.21Å; G25-A27 VanDerWaalsContact O-N 3.1Å | ||
| 28 | S | 36.8 | Very low | 57.6 | Low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -74.8 | 132.4 | 169.8 | -70.3 | 0 | 0 | 0 | 0 | 108.2 | R26 S30 | R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.66Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.84Å | ||
| 29 | P | 48.7 | Very low | 55.2 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -84.7 | 76.9 | -179.7 | 34.7 | -31.7 | 0 | 0 | 0 | 109.3 | ||
| 30 | S | 45.1 | Very low | 52.4 | Low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -179.1 | 102.1 | 160.1 | 45.2 | 0 | 0 | 0 | 0 | 111.7 | S28 | S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.84Å | ||
| 31 | Q | 39.7 | Very low | 50 | Low | 196 Ų | 196 | 135.2 Ų | 135.2 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | 159.6 | 125.5 | 116.9 | -79.2 | -155.2 | -22 | 0 | 0 | 108.5 | |||||
| 32 | G | 43.4 | Very low | 47.3 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -66.1 | 138.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 33 | S | 36.9 | Very low | 45.1 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -161.1 | 110.4 | 144.8 | -73.5 | 0 | 0 | 0 | 0 | 105.2 | P35 | S33-P35 WeakPolarHBondContact O-CD 3.23Š| ||
| 34 | S | 41.5 | Very low | 43.4 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -59.3 | 136 | -177.1 | -43.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | P | 40.3 | Very low | 41.5 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -111.6 | 146.5 | 144.1 | 5.9 | 16 | 0 | 0 | 0 | 109.5 | S33 | S33-P35 WeakPolarHBondContact O-CD 3.23Š| ||
| 36 | Q | 36.5 | Very low | 39.4 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -42 | 138.2 | 179.6 | -81.8 | 162.7 | -97.7 | 0 | 0 | 113.9 | E38 | Q36-E38 PolarHBondContact O-N 2.81Š| ||
| 37 | E | 35.2 | Very low | 38.4 | Very low | 195 Ų | 195 | 138.4 Ų | 138.4 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -55.6 | 98.4 | 162.4 | -168.7 | 173.5 | 124.6 | 0 | 0 | 108.9 | S39 | E37-S39 PolarHBondContact O-N 2.73Š| ||
| 38 | E | 34.5 | Very low | 37.7 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 114.3 | 164.3 | -168.2 | 179 | 94 | 0 | 0 | 106.9 | Q36 Q40 | Q36-E38 PolarHBondContact O-N 2.81Å; E38-Q40 PolarHBondContact O-N 2.79Å | ||
| 39 | S | 35.1 | Very low | 37.3 | Very low | 87 Ų | 87 | 144 Ų | 144 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | -29.6 | 117.7 | 176.4 | 35 | 0 | 0 | 0 | 0 | 114.4 | E37 L41 | E37-S39 PolarHBondContact O-N 2.73Å; S39-L41 PolarHBondContact O-N 2.9Å | ||
| 40 | Q | 32.5 | Very low | 36.4 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 109.1 | 158.2 | -65.4 | -160 | 18.9 | 0 | 0 | 108.8 | E38 T42 | E38-Q40 PolarHBondContact O-N 2.79Å; Q40-T42 VanDerWaalsContact C-N 3.27Å; Q40-T42 PolarHBondContact O-N 3.28Å | ||
| 41 | L | 39 | Very low | 35.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -72.3 | 90.6 | 164 | -66.8 | 171.8 | 0 | 0 | 0 | 107.7 | S39 W43 | S39-L41 PolarHBondContact O-N 2.9Å; L41-W43 PolarHBondContact O-N 2.93Å | ||
| 42 | T | 32 | Very low | 35.1 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 110.5 | 163.8 | 42.5 | 0 | 0 | 0 | 0 | 109 | Q40 T44 | Q40-T42 VanDerWaalsContact C-N 3.27Å; Q40-T42 PolarHBondContact O-N 3.28Å; T42-T44 PolarHBondContact O-N 2.84Å | ||
| 43 | W | 40.5 | Very low | 34.6 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -70.4 | 64 | 168.6 | -89.2 | 89.4 | 0 | 0 | 0 | 111 | L41 | L41-W43 PolarHBondContact O-N 2.93Š|
| 44 | T | 44.7 | Very low | 34.3 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -159.8 | 88.6 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | T42 | T42-T44 PolarHBondContact O-N 2.84Š| ||
| 45 | G | 36.6 | Very low | 33.9 | Very low | 62 Ų | 62 | 149.8 Ų | 149.8 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | -177.8 | 44.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 46 | F | 29.8 | Very low | 33.7 | Very low | 223 Ų | 223 | 152.1 Ų | 152.1 | 98% | 0.978 | 80% | 0.797 | S | S | * | * | trans | -139.7 | 85.9 | 157.6 | -74.5 | -75.7 | 0 | 0 | 0 | 108.8 | ||||
| 47 | A | 32.4 | Very low | 33.8 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -132.8 | 129.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 48 | H | 30.8 | Very low | 34 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 96.2 | 105 | -178 | -61.5 | 85.8 | 0 | 0 | 0 | 114.7 | ||||
| 49 | Q | 27.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 69.7 | 121.2 | 87.7 | -119.6 | -173.2 | -58.3 | 0 | 0 | 109.1 | |||||
| 50 | E | 31.2 | Very low | 33.7 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | cis | -165.3 | 161.4 | 38.5 | -78.5 | 174.6 | 150 | 0 | 0 | 109.9 | ||||
| 51 | G | 29.1 | Very low | 33.6 | Very low | 83 Ų | 83 | 154.4 Ų | 154.4 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 120.8 | 70.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 52 | F | 27.5 | Very low | 33.7 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 128.2 | 161.5 | 105.7 | -85.7 | 0 | 0 | 0 | 108.6 | ||||
| 53 | E | 31.8 | Very low | 33.6 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -148.1 | 131.5 | 168.2 | -75.6 | -174.3 | 129.9 | 0 | 0 | 103.3 | ||||
| 54 | E | 31.8 | Very low | 33.2 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | cis | -142.5 | 140.2 | 2.6 | -81.2 | 169.5 | 123.3 | 0 | 0 | 106.1 | ||||
| 55 | G | 32.6 | Very low | 32.4 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -131.5 | 87.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 56 | E | 36.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -123 | 86.5 | -178.6 | -61.9 | -165.2 | 130.8 | 0 | 0 | 110.8 | ||||
| 57 | F | 38.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -170.9 | 83.9 | 167.8 | -154.6 | -122 | 0 | 0 | 0 | 108 | ||
| 58 | W | 39.1 | Very low | 32.6 | Very low | 214 Ų | 214 | 152.1 Ų | 152.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | cis | -158.4 | 153.5 | 43.4 | -66.5 | 93.7 | 0 | 0 | 0 | 109.4 | ||||
| 59 | K | 29.9 | Very low | 32.9 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -101.2 | 132.1 | -174.1 | -168.6 | -179.8 | 175.9 | -175.9 | 0 | 111.8 | ||||
| 60 | D | 32.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 154 Ų | 154 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 39.2 | 140.5 | 146.5 | -53.1 | -48.4 | 0 | 0 | 0 | 120.8 | ||||
| 61 | E | 32.2 | Very low | 32.7 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | -161.6 | 169.3 | 64.2 | -113.3 | -160.6 | 60.9 | 0 | 0 | 114.9 | |||||
| 62 | P | 40.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -109.2 | 176.7 | -159.9 | 43 | -35.9 | 0 | 0 | 0 | 115.8 | ||||
| 63 | S | 29.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -152.5 | 99.7 | 154.1 | -76.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 64 | E | 31.9 | Very low | 33.1 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 12.5 | 119.4 | 135 | -76.8 | -151.2 | 136.3 | 0 | 0 | 120 | ||||
| 65 | E | 27.2 | Very low | 33.8 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 88.4 | 139.5 | 102.8 | -59.3 | -129.5 | 136.9 | 0 | 0 | 111.8 | |||||
| 66 | A | 30.7 | Very low | 33.7 | Very low | 89 Ų | 89 | 154.7 Ų | 154.7 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | cis | -169.9 | 176.2 | -9.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 67 | P | 45.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -101.8 | 151.4 | -161.9 | 37.8 | -31 | 0 | 0 | 0 | 114.3 | ||||
| 68 | M | 27.2 | Very low | 33 | Very low | 199 Ų | 199 | 152 Ų | 152 | 98% | 0.98 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 124.3 | 159.3 | -77.3 | -167.3 | -102.3 | 0 | 0 | 113 | ||||
| 69 | E | 36.6 | Very low | 32.8 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 155 | 159.3 | -71 | -135.5 | 120 | 0 | 0 | 111.4 | ||||
| 70 | L | 28.4 | Very low | 32.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | 152.6 | 129.9 | 132.7 | -82 | 170.7 | 0 | 0 | 0 | 110.5 | ||||
| 71 | G | 26.9 | Very low | 32.8 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 170.3 | 71.7 | 168 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 72 | L | 36.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -54.6 | 141.1 | 166.9 | -65.9 | 163.5 | 0 | 0 | 0 | 112.8 | ||||
| 73 | K | 30.2 | Very low | 32.6 | Very low | 209 Ų | 209 | 145.8 Ų | 145.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -173.4 | 109.6 | 139.3 | -102.1 | 152.6 | 76 | -177.8 | 0 | 112.6 | ||||
| 74 | D | 29.3 | Very low | 33 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 177.7 | 148.9 | -122.1 | -88.6 | 0 | 0 | 0 | 107.7 | ||||
| 75 | P | 46.1 | Very low | 33.1 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | cis | -141.1 | -170 | 1.5 | 35 | -11.2 | 0 | 0 | 0 | 115.6 | ||||
| 76 | E | 31.2 | Very low | 33.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | 133.3 | 95.5 | 148 | -70.2 | -167.1 | 129.6 | 0 | 0 | 112.2 | ||||
| 77 | E | 29.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | 86.1 | 100.7 | 88.9 | -160.3 | -177.6 | 142.2 | 0 | 0 | 113.2 | |||||
| 78 | A | 32 | Very low | 33.7 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -154.1 | 91.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 79 | T | 33.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | trans | -61.1 | 122.2 | 168.5 | -54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | L | 33.9 | Very low | 34.1 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -145.9 | 126 | 150 | -75.5 | -177.1 | 0 | 0 | 0 | 110.4 | ||||
| 81 | S | 29.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -102 | 139.2 | -169.4 | 84.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | F | 30.6 | Very low | 35.1 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 157.7 | 151.4 | -59.1 | -62.4 | 0 | 0 | 0 | 119.5 | ||||
| 83 | P | 37.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | cis | -127.8 | 157.4 | 10.8 | 37.1 | -19.3 | 0 | 0 | 0 | 116.6 | ||||
| 84 | A | 37 | Very low | 35.8 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 125.9 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 85 | Q | 33.8 | Very low | 36.6 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -109.4 | 107.5 | 161.7 | -69.2 | -169.1 | 34.7 | 0 | 0 | 108.5 | L87 | Q85-L87 PolarHBondContact O-N 3.34Š| ||
| 86 | S | 41.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -56.8 | 116.4 | 162.4 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | L | 33 | Very low | 37.3 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -127.1 | 99.6 | 161.6 | -72.7 | 172.6 | 0 | 0 | 0 | 107.4 | Q85 | Q85-L87 PolarHBondContact O-N 3.34Š| ||
| 88 | S | 43 | Very low | 37.7 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -57.8 | 134.6 | 164.5 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | E90 | S88-E90 PolarHBondContact O-N 3.07Š| ||
| 89 | P | 35.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -76.1 | 111.4 | 161.3 | 27.8 | -26.5 | 0 | 0 | 0 | 108.2 | ||||
| 90 | E | 36 | Very low | 38.7 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -58.8 | 128.8 | 166.9 | -161.2 | 144.3 | 88.3 | 0 | 0 | 108.7 | S88 V92 | S88-E90 PolarHBondContact O-N 3.07Å; E90-V92 PolarHBondContact O-N 3.47Å; E90-V92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | P | 39.1 | Very low | 39.3 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 115.8 | -178.6 | 26 | -30.9 | 0 | 0 | 0 | 109.6 | ||||
| 92 | V | 36.7 | Very low | 40.3 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | -53 | 132.6 | 167.1 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | E90 Q94 | E90-V92 PolarHBondContact O-N 3.47Å; E90-V92 VanDerWaalsContact O-N 3.16Å; V92-Q94 PolarHBondContact O-N 2.84Å | ||
| 93 | P | 40.7 | Very low | 41.1 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -60.6 | 114.5 | 174.1 | -16 | 28.3 | 0 | 0 | 0 | 108.3 | E95 | P93-E95 VanDerWaalsContact C-N 3.29Å; P93-E95 PolarHBondContact O-N 2.93Å | ||
| 94 | Q | 41.4 | Very low | 41.8 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -66 | 89.6 | 175.8 | -165.2 | 175.9 | -2.9 | 0 | 0 | 108.2 | V92 E96 | V92-Q94 PolarHBondContact O-N 2.84Å; Q94-E96 HydrophobicContact CG-CB 4.15Å; Q94-E96 PolarHBondContact O-N 2.84Å; Q94-E96 VanDerWaalsContact O-N 3.13Å | ||
| 95 | E | 45.8 | Very low | 42.9 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -74.8 | 17.3 | 173.1 | 49.8 | -177 | 85.6 | 0 | 0 | 113.2 | P93 E97 | P93-E95 VanDerWaalsContact C-N 3.29Å; P93-E95 PolarHBondContact O-N 2.93Å; E95-E97 VanDerWaalsContact C-N 3.29Å; E95-E97 PolarHBondContact O-N 2.9Å |
| 96 | E | 45.8 | Very low | 44.3 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -82.8 | 9.9 | 175.9 | -70.6 | -169.6 | 106.8 | 0 | 0 | 114.7 | Q94 | Q94-E96 HydrophobicContact CG-CB 4.15Å; Q94-E96 PolarHBondContact O-N 2.84Å; Q94-E96 VanDerWaalsContact O-N 3.13Å |
| 97 | E | 46.7 | Very low | 46 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -86.7 | 0.4 | -178.2 | -81.7 | -155.1 | 102.9 | 0 | 0 | 116.3 | E95 | E95-E97 VanDerWaalsContact C-N 3.29Å; E95-E97 PolarHBondContact O-N 2.9Å |
| 98 | K | 38 | Very low | 48.6 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -109.4 | 23.5 | -164.6 | -136.8 | 165.5 | -174.9 | -80.4 | 0 | 118.7 | ||
| 99 | L | 39.7 | Very low | 51 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.3 | -16.3 | 164.2 | -81.8 | 165.8 | 0 | 0 | 0 | 114.9 | ||
| 100 | S | 46.1 | Very low | 53.8 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -1.7 | -166.9 | -45.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 101 | Q | 47 | Very low | 56.7 | Low | 153 Ų | 153 | 128.5 Ų | 128.5 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 26.8 | -176 | -66 | -176.1 | 3.4 | 0 | 0 | 113.7 | N103 | Q101-N103 PolarHBondContact O-N 2.95Š|
| 102 | R | 50.1 | Low | 59.4 | Low | 227 Ų | 227 | 127.3 Ų | 127.3 | 86% | 0.857 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -89.7 | 93.7 | 174.7 | -142.1 | 174.8 | -176.6 | -172.9 | -1 | 109.5 | ||
| 103 | N | 47.8 | Very low | 62.2 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 68% | 0.684 | 66% | 0.66 | S | S | * | * | trans | 79.8 | 66.3 | 179 | -49.4 | -54.6 | 0 | 0 | 0 | 115.2 | Q101 N105 | Q101-N103 PolarHBondContact O-N 2.95Å; N103-N105 PolarHBondContact O-N 2.79Å | ||
| 104 | A | 52.5 | Low | 64.7 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | trans | -70.4 | 73.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P106 | A104-P106 VanDerWaalsContact O-CD 3.28Å; A104-P106 WeakPolarHBondContact O-CD 3.32Å | ||
| 105 | N | 59.9 | Low | 67.2 | Low | 92 Ų | 92 | 117 Ų | 117 | 49% | 0.492 | 62% | 0.619 | S | S | . | * | trans | -59.7 | 119.5 | 155.7 | -86.8 | -34.6 | 0 | 0 | 0 | 105.5 | N103 G107 I108 | N103-N105 PolarHBondContact O-N 2.79Å; N105-G107 PolarHBondContact O-N 3.22Å; N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.82Å; N105-I108 PolarHBondContact O-N 2.82Å | ||
| 106 | P | 63.8 | Low | 69.4 | Low | 141 Ų | 141 | 109.7 Ų | 109.7 | 92% | 0.916 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -4.3 | -177.4 | 20.2 | -29.4 | 0 | 0 | 0 | 114 | A104 | A104-P106 VanDerWaalsContact O-CD 3.28Å; A104-P106 WeakPolarHBondContact O-CD 3.32Å |
| 107 | G | 77.4 | Confident | 71.6 | Confident | 64 Ų | 64 | 102.6 Ų | 102.6 | 66% | 0.66 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -10.7 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | N105 | N105-G107 PolarHBondContact O-N 3.22Š|
| 108 | I | 87.7 | Confident | 73.9 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 23% | 0.231 | 53% | 0.534 | C | S | . | . | trans | -98.8 | 123.8 | -176 | -53.9 | 174.2 | 0 | 0 | 0 | 110.1 | N105 Q166 E168 | N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.82Å; N105-I108 PolarHBondContact O-N 2.82Å; I108-Q166 HydrophobicContact CG2-CB 4.4Å; I108-E168 HydrophobicContact CD1-CG 4.08Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.49Å; I108-E168 HydrophobicContact CG1-CB 4.08Å; I108-E168 HydrophobicContact CG1-CG 3.83Å; I108-E168 HydrophobicContact CG2-CB 4.26Å | ||
| 109 | K | 93.8 | Very high | 76.5 | Confident | 137 Ų | 137 | 90.8 Ų | 90.8 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.4 | 169.3 | -64.2 | 176.5 | -177.8 | 171.1 | 0 | 109 | F111 Q166 L167 | K109-F111 HydrophobicContact CB-CE2 3.71Å; K109-F111 HydrophobicContact CB-CZ 4Å; K109-Q166 CarbonylContact O-C 3.59Å; K109-Q166 WeakPolarHBondContact O-CA 3.24Å; K109-L167 HydrophobicContact CB-CB 4.38Å; K109-L167 PolarHBondContact N-O 2.84Å; K109-L167 PolarHBondContact O-N 2.86Å |
| 110 | C | 94.4 | Very high | 79.1 | Confident | 68 Ų | 68 | 88.2 Ų | 88.2 | 46% | 0.459 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.3 | -177.8 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | L165 Q166 | C110-L165 CarbonylContact C-O 3.49Å; C110-L165 WeakPolarHBondContact CA-O 3.47Å; C110-Q166 HydrophobicContact CB-CG 4.19Å |
| 111 | F | 96.1 | Very high | 81.5 | Confident | 101 Ų | 101 | 83.4 Ų | 83.4 | 44% | 0.443 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.5 | -178.5 | -54.4 | -87 | 0 | 0 | 0 | 109.5 | K109 V113 L164 L165 L167 | K109-F111 HydrophobicContact CB-CE2 3.71Å; K109-F111 HydrophobicContact CB-CZ 4Å; F111-V113 HydrophobicContact CB-CG1 4.1Å; F111-L164 WeakPolarHBondContact O-CA 3.47Å; F111-L165 HydrophobicContact CB-CB 4.49Å; F111-L165 HydrophobicContact CD2-CD2 4.11Å; F111-L165 PolarHBondContact N-O 3.27Å; F111-L165 PolarHBondContact O-N 3.15Å; F111-L167 HydrophobicContact CE2-CD1 4.16Å |
| 112 | A | 95.6 | Very high | 83.8 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 77% | 0.769 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L164 | A112-L164 HydrophobicContact CB-CD2 4.4Å |
| 113 | V | 95.4 | Very high | 86 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163.5 | -175 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | F111 L163 L165 F223 | F111-V113 HydrophobicContact CB-CG1 4.1Å; V113-L163 HydrophobicContact CG2-CB 4.12Å; V113-L163 PolarHBondContact N-O 3.04Å; V113-L163 PolarHBondContact O-N 2.97Å; V113-L163 VanDerWaalsContact O-O 3.1Å; V113-L165 HydrophobicContact CG1-CB 4.03Å; V113-L165 HydrophobicContact CG1-CD1 4.5Å; V113-L165 HydrophobicContact CG2-CB 3.84Å; V113-F223 HydrophobicContact CB-CB 4.08Å; V113-F223 HydrophobicContact CB-CD1 4.46Å; V113-F223 HydrophobicContact CG2-CB 4.36Å; V113-F223 HydrophobicContact CG2-CD1 3.85Å; V113-F223 HydrophobicContact CG2-CG 4.39Å |
| 114 | R | 93.9 | Very high | 88.3 | Confident | 133 Ų | 133 | 72.8 Ų | 72.8 | 50% | 0.502 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.8 | 174.7 | 179.9 | 172 | -60.5 | 165.6 | 6.9 | 109.7 | L116 K161 D162 F223 | R114-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact O-N 3.16Å; R114-K161 CarbonylContact C-O 3.59Å; R114-K161 WeakPolarHBondContact CA-O 3.47Å; R114-D162 IonicContact CZ-OD1 3.77Å; R114-D162 VanDerWaalsContact CZ-OD1 3.28Å; R114-D162 IonicContact NE-OD1 2.9Å; R114-D162 PolarHBondContact NE-OD1 3.39Å; R114-D162 IonicContact NH2-OD1 2.66Å; R114-D162 PolarHBondContact NH2-OD1 2.78Å; R114-D162 IonicContact NH2-OD2 3.54Å; R114-F223 CarbonylContact O-C 3.59Å; R114-F223 WeakPolarHBondContact O-CA 3.23Å |
| 115 | S | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | trans | -58.5 | 122.6 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | W157 G158 E159 G160 K161 | S115-W157 VanDerWaalsContact CB-O 3.24Å; S115-W157 WeakPolarHBondContact CB-O 3.3Å; S115-W157 PolarHBondContact OG-O 2.93Å; S115-G158 WeakPolarHBondContact CB-O 3.4Å; S115-G158 PolarHBondContact OG-O 3.2Å; S115-E159 CarbonylContact O-C 3.53Å; S115-E159 WeakPolarHBondContact O-CA 3.49Å; S115-G160 PolarHBondContact O-N 3.1Å; S115-K161 PolarHBondContact N-O 3.01Å | ||
| 116 | L | 92.2 | Very high | 92 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | trans | -95.8 | 2.4 | 172 | -57.5 | -173.7 | 0 | 0 | 0 | 111.6 | R114 L142 S143 V222 | R114-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact O-N 3.16Å; L116-L142 HydrophobicContact CB-CB 4.14Å; L116-S143 WeakPolarHBondContact CD1-OG 3.41Å; L116-V222 HydrophobicContact CB-CB 4.2Å; L116-V222 HydrophobicContact CB-CG1 4.19Å; L116-V222 HydrophobicContact CD1-CG1 3.94Å; L116-V222 HydrophobicContact CG-CG1 4.43Å; L116-V222 PolarHBondContact N-O 2.81Å | ||
| 117 | G | 92.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.6 | -156 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V222 | G117-V222 PolarHBondContact O-N 2.68Å; G117-V222 VanDerWaalsContact O-N 3.08Å |
| 118 | W | 93.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 66.3 Ų | 66.3 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 154.6 | -176.5 | 62.1 | -88.9 | 0 | 0 | 0 | 112.8 | E120 D151 K219 C220 H221 | W118-E120 HydrophobicContact CZ3-CB 4.34Å; W118-D151 VanDerWaalsContact CZ2-OD2 3.29Å; W118-D151 WeakPolarHBondContact CZ2-OD2 3.49Å; W118-D151 PolarHBondContact NE1-OD2 2.91Å; W118-K219 HydrophobicContact CD2-CD 4.02Å; W118-K219 HydrophobicContact CD2-CG 4.36Å; W118-K219 HydrophobicContact CE3-CB 4.26Å; W118-K219 HydrophobicContact CE3-CD 3.85Å; W118-K219 HydrophobicContact CE3-CG 3.76Å; W118-K219 HydrophobicContact CZ3-CD 4.18Å; W118-K219 HydrophobicContact CZ3-CG 4.12Å; W118-C220 CarbonylContact C-O 3.56Å; W118-C220 WeakPolarHBondContact CA-O 3.45Å; W118-C220 WeakPolarHBondContact CB-O 3.44Å; W118-H221 WeakPolarHBondContact CB-ND1 3.41Å |
| 119 | V | 93.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 17% | 0.17 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.2 | 174 | -176 | 0 | 0 | 0 | 0 | 109.1 | M121 L142 K219 C220 | V119-M121 HydrophobicContact CG1-SD 4.45Å; V119-L142 HydrophobicContact CG2-CD1 3.83Å; V119-L142 HydrophobicContact CG2-CD2 3.94Å; V119-L142 HydrophobicContact CG2-CG 3.82Å; V119-K219 WeakPolarHBondContact O-CA 3.41Å; V119-C220 PolarHBondContact N-O 3.24Å; V119-C220 PolarHBondContact O-N 3.06Å |
| 120 | E | 94.9 | Very high | 94.5 | Very high | 110 Ų | 110 | 68.6 Ų | 68.6 | 51% | 0.514 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 135.6 | 171.3 | 179.1 | 177.8 | -169.7 | 0 | 0 | 110.4 | W118 M217 L218 | W118-E120 HydrophobicContact CZ3-CB 4.34Å; E120-M217 HydrophobicContact CB-CE 4.2Å; E120-M217 HydrophobicContact CG-CE 3.74Å; E120-M217 WeakPolarHBondContact OE1-CE 3.35Å; E120-M217 WeakPolarHBondContact OE2-CE 3.35Å; E120-L218 WeakPolarHBondContact CA-O 3.44Å |
| 121 | M | 95.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.044 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153.2 | 178.9 | -54.6 | -56 | -66.4 | 0 | 0 | 110.6 | V119 E125 L126 A134 C138 V209 L218 C220 | V119-M121 HydrophobicContact CG1-SD 4.45Å; M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 HydrophobicContact CE-CB 4.09Å; M121-E125 WeakPolarHBondContact CE-OE2 3.47Å; M121-L126 HydrophobicContact CB-CD1 4.44Å; M121-L126 HydrophobicContact CB-CG 4.44Å; M121-A134 HydrophobicContact CE-CB 3.64Å; M121-C138 PolarHBondContact SD-SG 2.72Å; M121-V209 HydrophobicContact CG-CG1 4.26Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.84Å; M121-L218 WeakPolarHBondContact O-CB 3.45Å; M121-C220 HydrophobicContact CG-CB 3.7Å; M121-C220 HydrophobicContact SD-CB 3.86Å |
| 122 | T | 95.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -98.8 | 165 | 169.4 | 84 | 0 | 0 | 0 | 0 | 112.3 | E124 E125 L126 | T122-E124 WeakPolarHBondContact CB-OE2 3.4Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 PolarHBondContact OG1-N 2.93Å; T122-E124 PolarHBondContact OG1-OE2 2.82Å; T122-E125 PolarHBondContact N-OE2 3.1Å; T122-E125 PolarHBondContact O-N 3.32Å; T122-L126 PolarHBondContact O-N 3.02Å | ||
| 123 | E | 95.3 | Very high | 94.4 | Very high | 105 Ų | 105 | 63.9 Ų | 63.9 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -36.5 | 176.9 | -170.6 | 66.9 | -153.4 | 0 | 0 | 111.3 | E125 L126 A127 R192 | E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.03Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-A127 PolarHBondContact O-N 3.04Å; E123-R192 VanDerWaalsContact CD-NH1 3.28Å; E123-R192 VanDerWaalsContact CD-NH2 3.35Å; E123-R192 IonicContact OE1-CZ 3.77Å; E123-R192 VanDerWaalsContact OE1-CZ 3.3Å; E123-R192 IonicContact OE1-NH1 2.65Å; E123-R192 PolarHBondContact OE1-NH1 3.45Å; E123-R192 IonicContact OE1-NH2 3.45Å; E123-R192 PolarHBondContact OE1-NH2 2.95Å; E123-R192 IonicContact OE2-CZ 2.78Å; E123-R192 IonicContact OE2-NH1 2.7Å; E123-R192 PolarHBondContact OE2-NH1 3.32Å; E123-R192 IonicContact OE2-NH2 3.38Å |
| 124 | E | 96 | Very high | 94.4 | Very high | 117 Ų | 117 | 63.1 Ų | 63.1 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.5 | -177.3 | -59.2 | 72.3 | -153 | 0 | 0 | 112.6 | T122 L126 A127 | T122-E124 WeakPolarHBondContact CB-OE2 3.4Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 PolarHBondContact OG1-N 2.93Å; T122-E124 PolarHBondContact OG1-OE2 2.82Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-A127 VanDerWaalsContact O-CB 3.29Å; E124-A127 WeakPolarHBondContact O-CB 3.39Å; E124-A127 PolarHBondContact O-N 3.03Å |
| 125 | E | 95.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 57 Ų | 57 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.7 | 176.5 | -68.5 | 175.8 | 143.2 | 0 | 0 | 111.8 | M121 T122 E123 A127 R130 S131 A134 | M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 HydrophobicContact CE-CB 4.09Å; M121-E125 WeakPolarHBondContact CE-OE2 3.47Å; T122-E125 PolarHBondContact N-OE2 3.1Å; T122-E125 PolarHBondContact O-N 3.32Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.03Å; E125-A127 VanDerWaalsContact C-N 3.26Å; E125-A127 PolarHBondContact O-N 2.8Å; E125-R130 CarbonylContact O-C 3.6Å; E125-R130 WeakPolarHBondContact O-CB 3.34Å; E125-S131 VanDerWaalsContact O-CA 3.29Å; E125-S131 WeakPolarHBondContact O-CA 3.33Å; E125-S131 PolarHBondContact O-N 2.89Å; E125-A134 HydrophobicContact CB-CB 4.12Å |
| 126 | L | 95.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.8 | 177.7 | -58.1 | 179.8 | 0 | 0 | 0 | 113.1 | M121 T122 E123 E124 V193 V209 L218 | M121-L126 HydrophobicContact CB-CD1 4.44Å; M121-L126 HydrophobicContact CB-CG 4.44Å; T122-L126 PolarHBondContact O-N 3.02Å; E123-L126 PolarHBondContact O-N 3.23Å; E124-L126 VanDerWaalsContact C-N 3.34Å; L126-V193 HydrophobicContact CD2-CG2 4.18Å; L126-V209 HydrophobicContact CD1-CB 4.46Å; L126-V209 HydrophobicContact CD1-CG1 3.55Å; L126-V209 HydrophobicContact CD2-CB 4.3Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.02Å; L126-V209 HydrophobicContact CG-CG1 4.42Å; L126-L218 HydrophobicContact CD1-CB 4.28Å; L126-L218 HydrophobicContact CD1-CD1 3.8Å; L126-L218 HydrophobicContact CD1-CD2 4.01Å; L126-L218 HydrophobicContact CD1-CG 4.24Å |
| 127 | A | 95.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 60 Ų | 60 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -60.9 | 150.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E123 E124 E125 G129 R130 S131 | E123-A127 PolarHBondContact O-N 3.04Å; E124-A127 VanDerWaalsContact O-CB 3.29Å; E124-A127 WeakPolarHBondContact O-CB 3.39Å; E124-A127 PolarHBondContact O-N 3.03Å; E125-A127 VanDerWaalsContact C-N 3.26Å; E125-A127 PolarHBondContact O-N 2.8Å; A127-G129 PolarHBondContact O-N 2.89Å; A127-R130 PolarHBondContact O-N 2.78Å; A127-S131 PolarHBondContact O-N 2.76Å; A127-S131 VanDerWaalsContact O-N 3.16Å |
| 128 | P | 93.1 | Very high | 94.7 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 86% | 0.857 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131.8 | 175.1 | -25.7 | 34.5 | 0 | 0 | 0 | 111.8 | R130 | P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 3.17Å |
| 129 | G | 92.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 73% | 0.732 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -10.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A127 | A127-G129 PolarHBondContact O-N 2.89Š|
| 130 | R | 95.3 | Very high | 94.6 | Very high | 159 Ų | 159 | 60.2 Ų | 60.2 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -32.2 | 175.6 | -65.4 | -175.6 | 175.5 | 178.5 | -2.1 | 113.3 | E125 A127 P128 S132 V133 A134 | E125-R130 CarbonylContact O-C 3.6Å; E125-R130 WeakPolarHBondContact O-CB 3.34Å; A127-R130 PolarHBondContact O-N 2.78Å; P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 3.17Å; R130-S132 VanDerWaalsContact C-N 3.31Å; R130-S132 PolarHBondContact O-N 3.16Å; R130-V133 PolarHBondContact O-N 2.87Å; R130-V133 VanDerWaalsContact O-N 3.08Å; R130-A134 PolarHBondContact O-N 2.7Å |
| 131 | S | 96.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -38.6 | -173.7 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | E125 A127 A134 V135 | E125-S131 VanDerWaalsContact O-CA 3.29Å; E125-S131 WeakPolarHBondContact O-CA 3.33Å; E125-S131 PolarHBondContact O-N 2.89Å; A127-S131 PolarHBondContact O-N 2.76Å; A127-S131 VanDerWaalsContact O-N 3.16Å; S131-A134 PolarHBondContact O-N 3.2Å; S131-V135 WeakPolarHBondContact O-CB 3.35Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.96Å |
| 132 | S | 93.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 178.7 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | R130 N136 | R130-S132 VanDerWaalsContact C-N 3.31Å; R130-S132 PolarHBondContact O-N 3.16Å; S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 VanDerWaalsContact O-N 3.1Å |
| 133 | V | 94.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | R130 N136 N137 | R130-V133 PolarHBondContact O-N 2.87Å; R130-V133 VanDerWaalsContact O-N 3.08Å; V133-N136 PolarHBondContact O-N 2.82Å; V133-N137 WeakPolarHBondContact O-CB 3.41Å; V133-N137 VanDerWaalsContact O-CG 3.23Å; V133-N137 PolarHBondContact O-N 2.83Å; V133-N137 PolarHBondContact O-ND2 3.06Å |
| 134 | A | 95.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M121 E125 R130 S131 N136 N137 C138 | M121-A134 HydrophobicContact CE-CB 3.64Å; E125-A134 HydrophobicContact CB-CB 4.12Å; R130-A134 PolarHBondContact O-N 2.7Å; S131-A134 PolarHBondContact O-N 3.2Å; A134-N136 PolarHBondContact O-N 2.85Å; A134-N137 WeakPolarHBondContact O-CB 3.29Å; A134-N137 PolarHBondContact O-N 2.84Å; A134-C138 PolarHBondContact O-N 3.42Å; A134-C138 PolarHBondContact O-SG 2.95Å |
| 135 | V | 95.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | S131 N137 C138 I139 V193 A207 V209 | S131-V135 WeakPolarHBondContact O-CB 3.35Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.96Å; V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.39Å; V135-C138 WeakPolarHBondContact O-CB 3.44Å; V135-C138 PolarHBondContact O-N 2.78Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.78Å; V135-V193 HydrophobicContact CG2-CG1 3.84Å; V135-A207 HydrophobicContact CG1-CB 3.72Å; V135-V209 HydrophobicContact CG2-CG2 3.92Å |
| 136 | N | 94.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 177.8 | -167.1 | 76 | 0 | 0 | 0 | 111.8 | S132 V133 A134 I139 R140 R198 D199 | S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 VanDerWaalsContact O-N 3.1Å; V133-N136 PolarHBondContact O-N 2.82Å; A134-N136 PolarHBondContact O-N 2.85Å; N136-I139 PolarHBondContact O-N 2.88Å; N136-R140 PolarHBondContact ND2-NE 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.27Å; N136-R140 PolarHBondContact O-N 3.03Å; N136-R198 PolarHBondContact OD1-N 3.08Å; N136-D199 PolarHBondContact ND2-OD2 3.47Å |
| 137 | N | 94.1 | Very high | 87.9 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 173.4 | -74 | -15.9 | 0 | 0 | 0 | 112 | V133 A134 V135 I139 R140 Q141 | V133-N137 WeakPolarHBondContact O-CB 3.41Å; V133-N137 VanDerWaalsContact O-CG 3.23Å; V133-N137 PolarHBondContact O-N 2.83Å; V133-N137 PolarHBondContact O-ND2 3.06Å; A134-N137 WeakPolarHBondContact O-CB 3.29Å; A134-N137 PolarHBondContact O-N 2.84Å; V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.39Å; N137-I139 VanDerWaalsContact C-N 3.34Å; N137-I139 PolarHBondContact O-N 3.45Å; N137-R140 WeakPolarHBondContact O-CB 3.46Å; N137-R140 PolarHBondContact O-N 3.36Å; N137-Q141 WeakPolarHBondContact O-CB 3.32Å; N137-Q141 PolarHBondContact O-N 2.97Å |
| 138 | C | 94.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.027 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.9 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | M121 A134 V135 Q141 L142 C220 V222 | M121-C138 PolarHBondContact SD-SG 2.72Å; A134-C138 PolarHBondContact O-N 3.42Å; A134-C138 PolarHBondContact O-SG 2.95Å; V135-C138 WeakPolarHBondContact O-CB 3.44Å; V135-C138 PolarHBondContact O-N 2.78Å; C138-Q141 PolarHBondContact O-N 3.26Å; C138-L142 PolarHBondContact O-N 2.81Å; C138-C220 HydrophobicContact CB-CB 4.17Å; C138-C220 VanDerWaalsContact CB-SG 3.55Å; C138-V222 HydrophobicContact CB-CG2 4.34Å |
| 139 | I | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.2 | -51.1 | 174.6 | -67.9 | 169 | 0 | 0 | 0 | 109.8 | V135 N136 N137 Q141 L142 S143 R202 D205 A207 V222 | V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.78Å; N136-I139 PolarHBondContact O-N 2.88Å; N137-I139 VanDerWaalsContact C-N 3.34Å; N137-I139 PolarHBondContact O-N 3.45Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 PolarHBondContact O-N 3.42Å; I139-L142 PolarHBondContact O-N 3Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 2.84Å; I139-R202 PolarHBondContact O-NH1 3.48Å; I139-D205 HydrophobicContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-OD2 3.29Å; I139-D205 WeakPolarHBondContact CG2-OD2 3.39Å; I139-A207 HydrophobicContact CD1-CB 3.88Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; I139-V222 HydrophobicContact CB-CG1 4.48Å; I139-V222 HydrophobicContact CG1-CG1 3.95Å; I139-V222 HydrophobicContact CG1-CG2 4.28Å |
| 140 | R | 91.6 | Very high | 82 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 38% | 0.381 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -52.9 | -51.5 | 176.1 | -76 | 176.9 | 176.8 | -177.8 | 1.2 | 112.3 | N136 N137 Y144 D199 | N136-R140 PolarHBondContact ND2-NE 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.27Å; N136-R140 PolarHBondContact O-N 3.03Å; N137-R140 WeakPolarHBondContact O-CB 3.46Å; N137-R140 PolarHBondContact O-N 3.36Å; R140-Y144 WeakPolarHBondContact O-CD2 3.33Å; R140-Y144 PolarHBondContact O-N 2.62Å; R140-D199 WeakPolarHBondContact CG-OD2 3.32Å; R140-D199 IonicContact CZ-OD1 2.63Å; R140-D199 IonicContact CZ-OD2 3.3Å; R140-D199 IonicContact NE-OD1 3.34Å; R140-D199 IonicContact NE-OD2 3.51Å; R140-D199 PolarHBondContact NE-OD2 2.93Å; R140-D199 IonicContact NH2-OD1 2.64Å; R140-D199 PolarHBondContact NH2-OD1 3.16Å; R140-D199 IonicContact NH2-OD2 3.41Å; R140-D199 PolarHBondContact NH2-OD2 2.82Å |
| 141 | Q | 91.2 | Very high | 80.4 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -51.4 | -177.2 | -174.1 | 176.1 | 11.8 | 0 | 0 | 111 | N137 C138 I139 H145 | N137-Q141 WeakPolarHBondContact O-CB 3.32Å; N137-Q141 PolarHBondContact O-N 2.97Å; C138-Q141 PolarHBondContact O-N 3.26Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 PolarHBondContact O-N 3.42Å; Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.37Å; Q141-H145 VanDerWaalsContact O-N 3.07Å |
| 142 | L | 89.6 | Confident | 78.6 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76.7 | -33.9 | -173.6 | -67.9 | 179.5 | 0 | 0 | 0 | 113.8 | L116 V119 C138 I139 Y144 V222 | L116-L142 HydrophobicContact CB-CB 4.14Å; V119-L142 HydrophobicContact CG2-CD1 3.83Å; V119-L142 HydrophobicContact CG2-CD2 3.94Å; V119-L142 HydrophobicContact CG2-CG 3.82Å; C138-L142 PolarHBondContact O-N 2.81Å; I139-L142 PolarHBondContact O-N 3Å; L142-Y144 PolarHBondContact O-N 2.99Å; L142-V222 HydrophobicContact CD1-CB 3.9Å; L142-V222 HydrophobicContact CD1-CG2 3.67Å |
| 143 | S | 85.5 | Confident | 77.1 | Confident | 42 Ų | 42 | 83.8 Ų | 83.8 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.6 | -21.9 | 178.2 | -15.7 | 0 | 0 | 0 | 0 | 113.7 | L116 I139 R202 D205 | L116-S143 WeakPolarHBondContact CD1-OG 3.41Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 2.84Å; S143-R202 PolarHBondContact OG-NH1 3.35Å; S143-D205 PolarHBondContact OG-OD2 3.34Å |
| 144 | Y | 75.1 | Confident | 75.6 | Confident | 180 Ų | 180 | 80.1 Ų | 80.1 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -87 | -32.7 | 172.5 | -73.1 | -55.6 | 0 | 0 | 0 | 112.8 | R140 L142 K146 R202 | R140-Y144 WeakPolarHBondContact O-CD2 3.33Å; R140-Y144 PolarHBondContact O-N 2.62Å; L142-Y144 PolarHBondContact O-N 2.99Å; Y144-K146 PolarHBondContact O-N 3.39Å; Y144-R202 VanDerWaalsContact CD1-NH2 3.28Å |
| 145 | H | 68.4 | Low | 74.1 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | trans | -97.9 | 91.3 | -174.9 | -128.1 | -72.9 | 0 | 0 | 0 | 109.8 | Q141 N147 | Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.37Å; Q141-H145 VanDerWaalsContact O-N 3.07Å; H145-N147 VanDerWaalsContact C-N 3.26Å; H145-N147 PolarHBondContact CE1-OD1 3.49Å; H145-N147 VanDerWaalsContact CE1-OD1 3.31Å; H145-N147 PolarHBondContact ND1-OD1 2.83Å; H145-N147 PolarHBondContact O-N 2.72Å | ||
| 146 | K | 61.2 | Low | 72.8 | Confident | 164 Ų | 164 | 83.6 Ų | 83.6 | 71% | 0.713 | 44% | 0.436 | S | S | * | . | trans | -76.3 | 82.1 | 167 | -170.4 | 173.9 | 179.8 | 174.8 | 0 | 108.6 | Y144 N148 E159 | Y144-K146 PolarHBondContact O-N 3.39Å; K146-N148 PolarHBondContact O-N 3.41Å; K146-E159 WeakPolarHBondContact CA-OE1 3.26Å | ||
| 147 | N | 56.1 | Low | 72.1 | Confident | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.444 | 44% | 0.436 | S | S | . | . | trans | -77.9 | 110.9 | 175.3 | -89.2 | -8.1 | 0 | 0 | 0 | 107.9 | H145 L149 E159 | H145-N147 VanDerWaalsContact C-N 3.26Å; H145-N147 PolarHBondContact CE1-OD1 3.49Å; H145-N147 VanDerWaalsContact CE1-OD1 3.31Å; H145-N147 PolarHBondContact ND1-OD1 2.83Å; H145-N147 PolarHBondContact O-N 2.72Å; N147-L149 PolarHBondContact O-N 2.75Å; N147-E159 PolarHBondContact N-OE1 3.26Å; N147-E159 VanDerWaalsContact O-CD 3.32Å | ||
| 148 | N | 51 | Low | 71.4 | Confident | 152 Ų | 152 | 80.8 Ų | 80.8 | 81% | 0.813 | 42% | 0.421 | S | S | * | . | trans | -68.1 | 24.5 | 170.6 | -64.3 | -77.7 | 0 | 0 | 0 | 112.8 | K146 H150 | K146-N148 PolarHBondContact O-N 3.41Å; N148-H150 PolarHBondContact O-N 3.38Å | ||
| 149 | L | 52 | Low | 70.9 | Confident | 141 Ų | 141 | 83.8 Ų | 83.8 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | trans | -93.7 | 96.4 | 179.1 | -160 | 68.3 | 0 | 0 | 0 | 107.9 | N147 D151 | N147-L149 PolarHBondContact O-N 2.75Å; L149-D151 PolarHBondContact O-N 3.36Å | ||
| 150 | H | 54 | Low | 70.4 | Confident | 157 Ų | 157 | 86.2 Ų | 86.2 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | trans | -56.3 | 103.9 | 173.1 | -160.8 | -37.9 | 0 | 0 | 0 | 108.6 | N148 P152 | N148-H150 PolarHBondContact O-N 3.38Å; H150-P152 WeakPolarHBondContact O-CD 3.46Å | ||
| 151 | D | 61.2 | Low | 70.3 | Confident | 46 Ų | 46 | 85 Ų | 85 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | trans | -64.7 | 114.7 | 172.5 | 175.9 | 13.5 | 0 | 0 | 0 | 108.1 | W118 L149 M153 A154 | W118-D151 VanDerWaalsContact CZ2-OD2 3.29Å; W118-D151 WeakPolarHBondContact CZ2-OD2 3.49Å; W118-D151 PolarHBondContact NE1-OD2 2.91Å; L149-D151 PolarHBondContact O-N 3.36Å; D151-M153 PolarHBondContact O-N 2.7Å; D151-M153 WeakPolarHBondContact OD1-CB 3.19Å; D151-M153 PolarHBondContact OD1-N 2.65Å; D151-A154 HydrophobicContact CB-CB 3.87Å; D151-A154 PolarHBondContact O-N 3.23Å; D151-A154 WeakPolarHBondContact OD2-CB 3.46Å; D151-A154 PolarHBondContact OD2-N 3.08Å | ||
| 152 | P | 58 | Low | 70.4 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 81% | 0.805 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.3 | 178.1 | -15.9 | 30.4 | 0 | 0 | 0 | 112.1 | H150 | H150-P152 WeakPolarHBondContact O-CD 3.46Š|
| 153 | M | 60.9 | Low | 70.7 | Confident | 129 Ų | 129 | 83 Ų | 83 | 64% | 0.635 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.8 | -178.2 | -64.7 | -145.6 | -63.8 | 0 | 0 | 114.1 | D151 G155 | D151-M153 PolarHBondContact O-N 2.7Å; D151-M153 WeakPolarHBondContact OD1-CB 3.19Å; D151-M153 PolarHBondContact OD1-N 2.65Å; M153-G155 PolarHBondContact O-N 3.37Å |
| 154 | A | 64.4 | Low | 71.2 | Confident | 8 Ų | 8 | 82.4 Ų | 82.4 | 7% | 0.066 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -76.8 | 13.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D151 G156 W157 G158 | D151-A154 HydrophobicContact CB-CB 3.87Å; D151-A154 PolarHBondContact O-N 3.23Å; D151-A154 WeakPolarHBondContact OD2-CB 3.46Å; D151-A154 PolarHBondContact OD2-N 3.08Å; A154-G156 PolarHBondContact O-N 2.77Å; A154-W157 PolarHBondContact O-N 2.99Å; A154-G158 VanDerWaalsContact CB-CA 3.46Å; A154-G158 PolarHBondContact O-N 2.85Å |
| 155 | G | 63.3 | Low | 72.2 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 28.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | M153 W157 | M153-G155 PolarHBondContact O-N 3.37Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 VanDerWaalsContact O-CD1 3.25Å; G155-W157 PolarHBondContact O-N 3.46Å |
| 156 | G | 69.6 | Low | 73.5 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 3.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A154 K161 | A154-G156 PolarHBondContact O-N 2.77Å; G156-K161 WeakPolarHBondContact O-CD 3.34Å; G156-K161 WeakPolarHBondContact O-CE 2.96Å; G156-K161 PolarHBondContact O-NZ 2.83Å |
| 157 | W | 79.6 | Confident | 75.2 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 10% | 0.095 | 38% | 0.375 | C | S | . | . | trans | -126.9 | 20.5 | 176 | 55.8 | -86.8 | 0 | 0 | 0 | 112.9 | S115 A154 G155 L163 L174 L183 H184 H221 | S115-W157 VanDerWaalsContact CB-O 3.24Å; S115-W157 WeakPolarHBondContact CB-O 3.3Å; S115-W157 PolarHBondContact OG-O 2.93Å; A154-W157 PolarHBondContact O-N 2.99Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 VanDerWaalsContact O-CD1 3.25Å; G155-W157 PolarHBondContact O-N 3.46Å; W157-L163 HydrophobicContact CB-CD1 3.74Å; W157-L163 HydrophobicContact CB-CD2 4.38Å; W157-L174 HydrophobicContact CD2-CD1 3.93Å; W157-L174 HydrophobicContact CE3-CD1 3.5Å; W157-L174 HydrophobicContact CG-CD1 4.37Å; W157-L174 HydrophobicContact CZ3-CD1 3.91Å; W157-L183 HydrophobicContact CB-CB 4.25Å; W157-L183 HydrophobicContact CB-CD1 3.9Å; W157-L183 HydrophobicContact CG-CB 4.45Å; W157-H184 HydrophobicContact CD2-CB 4.38Å; W157-H184 HydrophobicContact CZ2-CB 4.3Å; W157-H184 AromaticContact CZ2-CG 3.86Å; W157-H184 AromaticContact CZ2-ND1 3.77Å; W157-H221 AromaticContact CH2-CE1 3.26Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.48Å; W157-H221 AromaticContact CH2-ND1 3.37Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.29Å; W157-H221 AromaticContact CH2-NE2 3.94Å; W157-H221 AromaticContact CZ3-CE1 3.75Å; W157-H221 AromaticContact CZ3-ND1 3.33Å; W157-H221 VanDerWaalsContact CZ3-ND1 3.33Å; W157-H221 WeakPolarHBondContact CZ3-ND1 2.97Å | ||
| 158 | G | 78 | Confident | 77 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | trans | -67.2 | -174.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S115 A154 K161 | S115-G158 WeakPolarHBondContact CB-O 3.4Å; S115-G158 PolarHBondContact OG-O 3.2Å; A154-G158 VanDerWaalsContact CB-CA 3.46Å; A154-G158 PolarHBondContact O-N 2.85Å; G158-K161 WeakPolarHBondContact O-CB 3.35Å; G158-K161 WeakPolarHBondContact O-CG 3.44Å; G158-K161 PolarHBondContact O-N 3.46Å | ||
| 159 | E | 83.9 | Confident | 79 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 137.5 | -175 | -174.5 | -171.4 | 157.6 | 0 | 0 | 113.3 | S115 K146 N147 K161 | S115-E159 CarbonylContact O-C 3.53Å; S115-E159 WeakPolarHBondContact O-CA 3.49Å; K146-E159 WeakPolarHBondContact CA-OE1 3.26Å; N147-E159 PolarHBondContact N-OE1 3.26Å; N147-E159 VanDerWaalsContact O-CD 3.32Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.39Å |
| 160 | G | 84.3 | Confident | 81 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 54% | 0.536 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -1.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S115 | S115-G160 PolarHBondContact O-N 3.1Š|
| 161 | K | 88.9 | Confident | 83 | Confident | 74 Ų | 74 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | trans | -88.3 | 128.9 | -177.7 | -67.5 | -168.9 | 171 | -152.9 | 0 | 112.6 | R114 S115 G156 G158 E159 L163 | R114-K161 CarbonylContact C-O 3.59Å; R114-K161 WeakPolarHBondContact CA-O 3.47Å; S115-K161 PolarHBondContact N-O 3.01Å; G156-K161 WeakPolarHBondContact O-CD 3.34Å; G156-K161 WeakPolarHBondContact O-CE 2.96Å; G156-K161 PolarHBondContact O-NZ 2.83Å; G158-K161 WeakPolarHBondContact O-CB 3.35Å; G158-K161 WeakPolarHBondContact O-CG 3.44Å; G158-K161 PolarHBondContact O-N 3.46Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.39Å; K161-L163 HydrophobicContact CB-CD2 4.44Å; K161-L163 HydrophobicContact CB-CG 4.37Å | ||
| 162 | D | 93.1 | Very high | 84.7 | Confident | 86 Ų | 86 | 54 Ų | 54 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.8 | 169.2 | -63.5 | -47.3 | 0 | 0 | 0 | 109.6 | R114 P177 | R114-D162 IonicContact CZ-OD1 3.77Å; R114-D162 VanDerWaalsContact CZ-OD1 3.28Å; R114-D162 IonicContact NE-OD1 2.9Å; R114-D162 PolarHBondContact NE-OD1 3.39Å; R114-D162 IonicContact NH2-OD1 2.66Å; R114-D162 PolarHBondContact NH2-OD1 2.78Å; R114-D162 IonicContact NH2-OD2 3.54Å; D162-P177 VanDerWaalsContact O-CD 3.32Å; D162-P177 WeakPolarHBondContact O-CD 3.26Å |
| 163 | L | 95.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 162 | -171.9 | -61.6 | 174.1 | 0 | 0 | 0 | 110.7 | V113 W157 K161 L174 L183 F223 | V113-L163 HydrophobicContact CG2-CB 4.12Å; V113-L163 PolarHBondContact N-O 3.04Å; V113-L163 PolarHBondContact O-N 2.97Å; V113-L163 VanDerWaalsContact O-O 3.1Å; W157-L163 HydrophobicContact CB-CD1 3.74Å; W157-L163 HydrophobicContact CB-CD2 4.38Å; K161-L163 HydrophobicContact CB-CD2 4.44Å; K161-L163 HydrophobicContact CB-CG 4.37Å; L163-L174 HydrophobicContact CD1-CD1 4.35Å; L163-L183 HydrophobicContact CD2-CD1 3.44Å; L163-L183 VanDerWaalsContact CD2-CD1 3.44Å; L163-F223 HydrophobicContact CD1-CE1 4.42Å |
| 164 | L | 95.8 | Very high | 88.2 | Confident | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.4 | 165.2 | -63.3 | 176.1 | 0 | 0 | 0 | 109.2 | F111 A112 L174 V175 P177 Q180 | F111-L164 WeakPolarHBondContact O-CA 3.47Å; A112-L164 HydrophobicContact CB-CD2 4.4Å; L164-L174 WeakPolarHBondContact O-CA 3.46Å; L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.2Å; L164-V175 PolarHBondContact O-N 2.76Å; L164-P177 HydrophobicContact CD1-CB 4.5Å; L164-P177 HydrophobicContact CG-CB 4.32Å; L164-P177 HydrophobicContact CG-CG 4.22Å; L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å |
| 165 | L | 96.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.9 | 170.1 | -170.9 | 161.1 | 0 | 0 | 0 | 108.5 | C110 F111 V113 L167 L172 K173 L174 F206 | C110-L165 CarbonylContact C-O 3.49Å; C110-L165 WeakPolarHBondContact CA-O 3.47Å; F111-L165 HydrophobicContact CB-CB 4.49Å; F111-L165 HydrophobicContact CD2-CD2 4.11Å; F111-L165 PolarHBondContact N-O 3.27Å; F111-L165 PolarHBondContact O-N 3.15Å; V113-L165 HydrophobicContact CG1-CB 4.03Å; V113-L165 HydrophobicContact CG1-CD1 4.5Å; V113-L165 HydrophobicContact CG2-CB 3.84Å; L165-L167 HydrophobicContact CD2-CD2 4.01Å; L165-L167 HydrophobicContact CD2-CG 4.08Å; L165-L172 HydrophobicContact CD1-CD1 4.15Å; L165-L172 HydrophobicContact CD1-CD2 4.35Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; L165-L172 HydrophobicContact CD2-CD1 4.24Å; L165-L172 HydrophobicContact CD2-CG 4Å; L165-L172 HydrophobicContact CG-CD1 4.34Å; L165-L172 HydrophobicContact CG-CD2 4.09Å; L165-L172 HydrophobicContact CG-CG 4.05Å; L165-K173 CarbonylContact C-O 3.55Å; L165-K173 WeakPolarHBondContact CA-O 3.37Å; L165-L174 HydrophobicContact CB-CD2 4.15Å; L165-L174 HydrophobicContact CD1-CD2 4.39Å; L165-L174 HydrophobicContact CG-CD2 4.15Å; L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.06Å |
| 166 | Q | 96.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 44 Ų | 44 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131 | -179.3 | -66 | 176.6 | 0.3 | 0 | 0 | 110.1 | I108 K109 C110 L172 K173 | I108-Q166 HydrophobicContact CG2-CB 4.4Å; K109-Q166 CarbonylContact O-C 3.59Å; K109-Q166 WeakPolarHBondContact O-CA 3.24Å; C110-Q166 HydrophobicContact CB-CG 4.19Å; Q166-L172 CarbonylContact O-C 3.51Å; Q166-L172 WeakPolarHBondContact O-CA 3.47Å; Q166-K173 HydrophobicContact CB-CB 4.27Å; Q166-K173 PolarHBondContact N-O 2.95Å; Q166-K173 PolarHBondContact O-N 3.5Å |
| 167 | L | 96.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.9 | 169.5 | -59 | 175.8 | 0 | 0 | 0 | 107.7 | K109 F111 L165 L172 I188 | K109-L167 HydrophobicContact CB-CB 4.38Å; K109-L167 PolarHBondContact N-O 2.84Å; K109-L167 PolarHBondContact O-N 2.86Å; F111-L167 HydrophobicContact CE2-CD1 4.16Å; L165-L167 HydrophobicContact CD2-CD2 4.01Å; L165-L167 HydrophobicContact CD2-CG 4.08Å; L167-L172 HydrophobicContact CD2-CB 3.9Å; L167-L172 HydrophobicContact CD2-CD1 4.26Å; L167-L172 HydrophobicContact CD2-CG 4Å; L167-I188 HydrophobicContact CD2-CD1 4.28Å |
| 168 | E | 94.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 136.3 | -177.5 | 179.5 | -179.8 | -145.9 | 0 | 0 | 109.5 | I108 E170 T171 K173 | I108-E168 HydrophobicContact CD1-CG 4.08Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.49Å; I108-E168 HydrophobicContact CG1-CB 4.08Å; I108-E168 HydrophobicContact CG1-CG 3.83Å; I108-E168 HydrophobicContact CG2-CB 4.26Å; E168-E170 PolarHBondContact O-N 3.45Å; E168-T171 PolarHBondContact N-O 3.34Å; E168-T171 WeakPolarHBondContact O-CA 3.45Å; E168-T171 WeakPolarHBondContact O-CB 3.43Å; E168-T171 PolarHBondContact O-N 3Å; E168-K173 IonicContact OE2-NZ 3.49Å; E168-K173 PolarHBondContact OE2-NZ 2.72Å |
| 169 | D | 92.3 | Very high | 93.2 | Very high | 131 Ų | 131 | 54.2 Ų | 54.2 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 52.3 | 176 | -57.3 | -36.1 | 0 | 0 | 0 | 113.5 | T171 | D169-T171 PolarHBondContact O-N 3.29Å; D169-T171 PolarHBondContact O-OG1 3.07Å |
| 170 | E | 94.4 | Very high | 93.5 | Very high | 136 Ų | 136 | 56.3 Ų | 56.3 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 24.6 | -178.6 | -60.9 | -66.1 | 116.7 | 0 | 0 | 113.8 | E168 I188 | E168-E170 PolarHBondContact O-N 3.45Å; E170-I188 WeakPolarHBondContact O-CB 3.33Å; E170-I188 WeakPolarHBondContact O-CG1 3.39Å; E170-I188 PolarHBondContact O-N 3.06Å |
| 171 | T | 96 | Very high | 93.9 | Very high | 30 Ų | 30 | 57 Ų | 57 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | -176.5 | -54 | 0 | 0 | 0 | 0 | 110.5 | E168 D169 K173 A185 | E168-T171 PolarHBondContact N-O 3.34Å; E168-T171 WeakPolarHBondContact O-CA 3.45Å; E168-T171 WeakPolarHBondContact O-CB 3.43Å; E168-T171 PolarHBondContact O-N 3Å; D169-T171 PolarHBondContact O-N 3.29Å; D169-T171 PolarHBondContact O-OG1 3.07Å; T171-K173 HydrophobicContact CG2-CG 4.05Å; T171-A185 HydrophobicContact CG2-CB 4.1Å |
| 172 | L | 97.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.1 | 167.9 | -175.4 | 161.7 | 0 | 0 | 0 | 108.6 | L165 Q166 L167 L174 A185 Q186 I191 F206 Y208 | L165-L172 HydrophobicContact CD1-CD1 4.15Å; L165-L172 HydrophobicContact CD1-CD2 4.35Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; L165-L172 HydrophobicContact CD2-CD1 4.24Å; L165-L172 HydrophobicContact CD2-CG 4Å; L165-L172 HydrophobicContact CG-CD1 4.34Å; L165-L172 HydrophobicContact CG-CD2 4.09Å; L165-L172 HydrophobicContact CG-CG 4.05Å; Q166-L172 CarbonylContact O-C 3.51Å; Q166-L172 WeakPolarHBondContact O-CA 3.47Å; L167-L172 HydrophobicContact CD2-CB 3.9Å; L167-L172 HydrophobicContact CD2-CD1 4.26Å; L167-L172 HydrophobicContact CD2-CG 4Å; L172-L174 HydrophobicContact CD2-CD2 4.1Å; L172-L174 HydrophobicContact CD2-CG 4.24Å; L172-A185 CarbonylContact O-C 3.56Å; L172-A185 WeakPolarHBondContact O-CA 3.18Å; L172-Q186 HydrophobicContact CB-CB 4.44Å; L172-Q186 PolarHBondContact N-O 2.77Å; L172-Q186 PolarHBondContact O-N 3.3Å; L172-I191 HydrophobicContact CD1-CD1 4.2Å; L172-F206 HydrophobicContact CD1-CE1 4.34Å; L172-Y208 HydrophobicContact CD1-CD1 4.02Å; L172-Y208 HydrophobicContact CD1-CE1 4.07Å; L172-Y208 HydrophobicContact CD2-CE1 4.13Å |
| 173 | K | 96.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.9 | -179 | -61.9 | 177.7 | -170.5 | 174.7 | 0 | 109.7 | L165 Q166 E168 T171 V175 L182 H184 A185 | L165-K173 CarbonylContact C-O 3.55Å; L165-K173 WeakPolarHBondContact CA-O 3.37Å; Q166-K173 HydrophobicContact CB-CB 4.27Å; Q166-K173 PolarHBondContact N-O 2.95Å; Q166-K173 PolarHBondContact O-N 3.5Å; E168-K173 IonicContact OE2-NZ 3.49Å; E168-K173 PolarHBondContact OE2-NZ 2.72Å; T171-K173 HydrophobicContact CG2-CG 4.05Å; K173-V175 HydrophobicContact CB-CG2 4.44Å; K173-L182 HydrophobicContact CB-CD1 3.72Å; K173-L182 HydrophobicContact CD-CD1 4.19Å; K173-L182 HydrophobicContact CG-CD1 4.02Å; K173-H184 CarbonylContact C-O 3.6Å; K173-H184 WeakPolarHBondContact CA-O 3.33Å; K173-A185 HydrophobicContact CG-CB 4.43Å |
| 174 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122 | 169.2 | -59.9 | 177 | 0 | 0 | 0 | 108.3 | W157 L163 L164 L165 L172 L183 H184 F223 | W157-L174 HydrophobicContact CD2-CD1 3.93Å; W157-L174 HydrophobicContact CE3-CD1 3.5Å; W157-L174 HydrophobicContact CG-CD1 4.37Å; W157-L174 HydrophobicContact CZ3-CD1 3.91Å; L163-L174 HydrophobicContact CD1-CD1 4.35Å; L164-L174 WeakPolarHBondContact O-CA 3.46Å; L165-L174 HydrophobicContact CB-CD2 4.15Å; L165-L174 HydrophobicContact CD1-CD2 4.39Å; L165-L174 HydrophobicContact CG-CD2 4.15Å; L172-L174 HydrophobicContact CD2-CD2 4.1Å; L172-L174 HydrophobicContact CD2-CG 4.24Å; L174-L183 PolarHBondContact O-N 2.83Å; L174-H184 HydrophobicContact CB-CB 4.09Å; L174-H184 HydrophobicContact CD1-CB 4.07Å; L174-H184 HydrophobicContact CG-CB 4.31Å; L174-H184 PolarHBondContact N-O 3.33Å; L174-H184 PolarHBondContact O-N 3.04Å; L174-F223 HydrophobicContact CD1-CE1 3.79Å; L174-F223 HydrophobicContact CD1-CZ 3.73Å; L174-F223 HydrophobicContact CD2-CE1 3.75Å; L174-F223 HydrophobicContact CD2-CZ 3.99Å; L174-F223 HydrophobicContact CG-CE1 4.45Å; L174-F223 HydrophobicContact CG-CZ 4.48Å |
| 175 | V | 95.3 | Very high | 94 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.6 | -174 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | L164 K173 Q180 T181 L182 | L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.2Å; L164-V175 PolarHBondContact O-N 2.76Å; K173-V175 HydrophobicContact CB-CG2 4.44Å; V175-Q180 VanDerWaalsContact CG1-C 3.45Å; V175-Q180 HydrophobicContact CG1-CB 4.29Å; V175-T181 WeakPolarHBondContact CA-O 3.43Å; V175-L182 HydrophobicContact CG2-CD1 4.08Å |
| 176 | E | 93.9 | Very high | 94 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | trans | -72 | 127.3 | 174.3 | -176 | 164.3 | -109.8 | 0 | 0 | 110.4 | Q178 N179 Q180 T181 L183 | E176-Q178 PolarHBondContact O-N 3.49Å; E176-N179 WeakPolarHBondContact CB-OD1 3.38Å; E176-N179 PolarHBondContact OE2-ND2 2.94Å; E176-N179 PolarHBondContact OE2-OD1 3Å; E176-N179 VanDerWaalsContact OE2-OD1 3.06Å; E176-Q180 VanDerWaalsContact O-CA 3.23Å; E176-Q180 WeakPolarHBondContact O-CA 3.39Å; E176-Q180 PolarHBondContact O-N 3.38Å; E176-T181 PolarHBondContact N-O 3.27Å; E176-L183 HydrophobicContact CB-CD1 4.14Å; E176-L183 HydrophobicContact CB-CD2 4.36Å; E176-L183 HydrophobicContact CB-CG 4.28Å | ||
| 177 | P | 91.4 | Very high | 94 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.4 | -172.8 | -23.7 | 32.2 | 0 | 0 | 0 | 114.4 | D162 L164 Q180 | D162-P177 VanDerWaalsContact O-CD 3.32Å; D162-P177 WeakPolarHBondContact O-CD 3.26Å; L164-P177 HydrophobicContact CD1-CB 4.5Å; L164-P177 HydrophobicContact CG-CB 4.32Å; L164-P177 HydrophobicContact CG-CG 4.22Å; P177-Q180 PolarHBondContact O-NE2 3.18Å |
| 178 | Q | 89.7 | Confident | 94 | Very high | 152 Ų | 152 | 59 Ų | 59 | 71% | 0.71 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -42.4 | -169 | -66 | 78.2 | 6 | 0 | 0 | 113.3 | E176 | E176-Q178 PolarHBondContact O-N 3.49Š|
| 179 | N | 90.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 0.7 | -174.6 | 62.3 | 16.3 | 0 | 0 | 0 | 113.2 | E176 T181 | E176-N179 WeakPolarHBondContact CB-OD1 3.38Å; E176-N179 PolarHBondContact OE2-ND2 2.94Å; E176-N179 PolarHBondContact OE2-OD1 3Å; E176-N179 VanDerWaalsContact OE2-OD1 3.06Å; N179-T181 PolarHBondContact ND2-OG1 2.83Å; N179-T181 PolarHBondContact O-N 3.17Å; N179-T181 VanDerWaalsContact OD1-CB 3.23Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 3.43Å; N179-T181 PolarHBondContact OD1-OG1 2.92Å |
| 180 | Q | 90 | Very high | 94.3 | Very high | 110 Ų | 110 | 59 Ų | 59 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | trans | 58.6 | 29.1 | -177.8 | -60 | -72.9 | -58.4 | 0 | 0 | 113.4 | L164 V175 E176 P177 | L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å; V175-Q180 VanDerWaalsContact CG1-C 3.45Å; V175-Q180 HydrophobicContact CG1-CB 4.29Å; E176-Q180 VanDerWaalsContact O-CA 3.23Å; E176-Q180 WeakPolarHBondContact O-CA 3.39Å; E176-Q180 PolarHBondContact O-N 3.38Å; P177-Q180 PolarHBondContact O-NE2 3.18Å | ||
| 181 | T | 93.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | trans | -75.4 | 129.3 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | V175 E176 N179 L183 | V175-T181 WeakPolarHBondContact CA-O 3.43Å; E176-T181 PolarHBondContact N-O 3.27Å; N179-T181 PolarHBondContact ND2-OG1 2.83Å; N179-T181 PolarHBondContact O-N 3.17Å; N179-T181 VanDerWaalsContact OD1-CB 3.23Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 3.43Å; N179-T181 PolarHBondContact OD1-OG1 2.92Å; T181-L183 HydrophobicContact CG2-CD2 4.41Å; T181-L183 PolarHBondContact O-N 3.05Å | ||
| 182 | L | 93.7 | Very high | 94.4 | Very high | 97 Ų | 97 | 56.8 Ų | 56.8 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 114.7 | 172.2 | -178.4 | 67.1 | 0 | 0 | 0 | 110 | K173 V175 H184 A185 | K173-L182 HydrophobicContact CB-CD1 3.72Å; K173-L182 HydrophobicContact CD-CD1 4.19Å; K173-L182 HydrophobicContact CG-CD1 4.02Å; V175-L182 HydrophobicContact CG2-CD1 4.08Å; L182-H184 WeakPolarHBondContact CD1-O 3.33Å; L182-A185 HydrophobicContact CD2-CB 4.48Å |
| 183 | L | 93.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -40.3 | 179.5 | -57.3 | -179.1 | 0 | 0 | 0 | 111.9 | W157 L163 L174 E176 T181 | W157-L183 HydrophobicContact CB-CB 4.25Å; W157-L183 HydrophobicContact CB-CD1 3.9Å; W157-L183 HydrophobicContact CG-CB 4.45Å; L163-L183 HydrophobicContact CD2-CD1 3.44Å; L163-L183 VanDerWaalsContact CD2-CD1 3.44Å; L174-L183 PolarHBondContact O-N 2.83Å; E176-L183 HydrophobicContact CB-CD1 4.14Å; E176-L183 HydrophobicContact CB-CD2 4.36Å; E176-L183 HydrophobicContact CB-CG 4.28Å; T181-L183 HydrophobicContact CG2-CD2 4.41Å; T181-L183 PolarHBondContact O-N 3.05Å |
| 184 | H | 93.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 63.9 Ų | 63.9 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.6 | -178 | -170.3 | 69.9 | 0 | 0 | 0 | 111.8 | W157 K173 L174 L182 | W157-H184 HydrophobicContact CD2-CB 4.38Å; W157-H184 HydrophobicContact CZ2-CB 4.3Å; W157-H184 AromaticContact CZ2-CG 3.86Å; W157-H184 AromaticContact CZ2-ND1 3.77Å; K173-H184 CarbonylContact C-O 3.6Å; K173-H184 WeakPolarHBondContact CA-O 3.33Å; L174-H184 HydrophobicContact CB-CB 4.09Å; L174-H184 HydrophobicContact CD1-CB 4.07Å; L174-H184 HydrophobicContact CG-CB 4.31Å; L174-H184 PolarHBondContact N-O 3.33Å; L174-H184 PolarHBondContact O-N 3.04Å; L182-H184 WeakPolarHBondContact CD1-O 3.33Å |
| 185 | A | 95 | Very high | 94.4 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 117.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T171 L172 K173 L182 | T171-A185 HydrophobicContact CG2-CB 4.1Å; L172-A185 CarbonylContact O-C 3.56Å; L172-A185 WeakPolarHBondContact O-CA 3.18Å; K173-A185 HydrophobicContact CG-CB 4.43Å; L182-A185 HydrophobicContact CD2-CB 4.48Å |
| 186 | Q | 96.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.6 | -178.7 | -177.1 | 66.8 | 65.3 | 0 | 0 | 109.6 | L172 I188 S190 I191 Y208 A210 | L172-Q186 HydrophobicContact CB-CB 4.44Å; L172-Q186 PolarHBondContact N-O 2.77Å; L172-Q186 PolarHBondContact O-N 3.3Å; Q186-I188 PolarHBondContact O-N 2.91Å; Q186-S190 PolarHBondContact NE2-OG 2.99Å; Q186-I191 HydrophobicContact CG-CD1 4.25Å; Q186-I191 HydrophobicContact CG-CG1 3.79Å; Q186-Y208 HydrophobicContact CG-CE2 3.94Å; Q186-A210 VanDerWaalsContact CD-CB 3.44Å; Q186-A210 HydrophobicContact CG-CB 4.15Å; Q186-A210 VanDerWaalsContact OE1-CB 3.28Å |
| 187 | P | 96.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 66 Ų | 66 | 26% | 0.26 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 131.6 | 173.9 | -22.4 | 32.6 | 0 | 0 | 0 | 110.8 | V189 S190 | P187-V189 HydrophobicContact CB-CG2 4.03Å; P187-V189 PolarHBondContact O-N 3.33Å; P187-S190 PolarHBondContact O-N 3.34Å; P187-S190 PolarHBondContact O-OG 3.25Å |
| 188 | I | 96.6 | Very high | 94 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -60 | -38.6 | -176.3 | -66.1 | 175.2 | 0 | 0 | 0 | 110.6 | L167 E170 Q186 S190 I191 | L167-I188 HydrophobicContact CD2-CD1 4.28Å; E170-I188 WeakPolarHBondContact O-CB 3.33Å; E170-I188 WeakPolarHBondContact O-CG1 3.39Å; E170-I188 PolarHBondContact O-N 3.06Å; Q186-I188 PolarHBondContact O-N 2.91Å; I188-S190 PolarHBondContact O-N 3.21Å; I188-I191 WeakPolarHBondContact O-CB 3.13Å; I188-I191 PolarHBondContact O-N 3.39Å |
| 189 | V | 96.2 | Very high | 93.8 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 78% | 0.782 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -59.4 | -17.1 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 114.7 | P187 | P187-V189 HydrophobicContact CB-CG2 4.03Å; P187-V189 PolarHBondContact O-N 3.33Å |
| 190 | S | 95.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -103.2 | -1.7 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | Q186 P187 I188 | Q186-S190 PolarHBondContact NE2-OG 2.99Å; P187-S190 PolarHBondContact O-N 3.34Å; P187-S190 PolarHBondContact O-OG 3.25Å; I188-S190 PolarHBondContact O-N 3.21Å |
| 191 | I | 96.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 65.6 Ų | 65.6 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.8 | 168.6 | -60.5 | 176.2 | 0 | 0 | 0 | 107.5 | L172 Q186 I188 V193 W194 Y208 | L172-I191 HydrophobicContact CD1-CD1 4.2Å; Q186-I191 HydrophobicContact CG-CD1 4.25Å; Q186-I191 HydrophobicContact CG-CG1 3.79Å; I188-I191 WeakPolarHBondContact O-CB 3.13Å; I188-I191 PolarHBondContact O-N 3.39Å; I191-V193 WeakPolarHBondContact CG2-O 3.19Å; I191-W194 HydrophobicContact CG2-CE3 4.01Å; I191-Y208 HydrophobicContact CD1-CD2 4.3Å; I191-Y208 HydrophobicContact CD1-CG 4.39Å; I191-Y208 HydrophobicContact CG1-CD2 4.17Å; I191-Y208 HydrophobicContact CG2-CD2 4.37Å |
| 192 | R | 95.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -41.9 | -178 | -68.4 | -171.6 | 62.9 | -166.9 | -1.6 | 112.4 | E123 V209 L218 | E123-R192 VanDerWaalsContact CD-NH1 3.28Å; E123-R192 VanDerWaalsContact CD-NH2 3.35Å; E123-R192 IonicContact OE1-CZ 3.77Å; E123-R192 VanDerWaalsContact OE1-CZ 3.3Å; E123-R192 IonicContact OE1-NH1 2.65Å; E123-R192 PolarHBondContact OE1-NH1 3.45Å; E123-R192 IonicContact OE1-NH2 3.45Å; E123-R192 PolarHBondContact OE1-NH2 2.95Å; E123-R192 IonicContact OE2-CZ 2.78Å; E123-R192 IonicContact OE2-NH1 2.7Å; E123-R192 PolarHBondContact OE2-NH1 3.32Å; E123-R192 IonicContact OE2-NH2 3.38Å; R192-V209 PolarHBondContact N-O 2.97Å; R192-L218 VanDerWaalsContact NH1-CD2 3.33Å |
| 193 | V | 96.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 143.5 | -176.1 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | L126 V135 I191 Y208 V209 | L126-V193 HydrophobicContact CD2-CG2 4.18Å; V135-V193 HydrophobicContact CG2-CG1 3.84Å; I191-V193 WeakPolarHBondContact CG2-O 3.19Å; V193-Y208 CarbonylContact O-C 3.57Å; V193-Y208 WeakPolarHBondContact O-CA 3.34Å; V193-V209 HydrophobicContact CB-CB 4.34Å; V193-V209 HydrophobicContact CB-CG2 4.31Å; V193-V209 PolarHBondContact O-N 2.82Å |
| 194 | W | 96.8 | Very high | 91.5 | Very high | 168 Ų | 168 | 72.7 Ų | 72.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 160.5 | 164.5 | 64.4 | 79.8 | 0 | 0 | 0 | 109.8 | I191 F206 A207 | I191-W194 HydrophobicContact CG2-CE3 4.01Å; W194-F206 HydrophobicContact CB-CE2 4.08Å; W194-F206 HydrophobicContact CB-CZ 4.32Å; W194-A207 CarbonylContact C-O 3.59Å; W194-A207 WeakPolarHBondContact CA-O 3.46Å; W194-A207 WeakPolarHBondContact CB-O 3.42Å |
| 195 | G | 95.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 167.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F206 A207 | G195-F206 WeakPolarHBondContact O-CD2 3.33Å; G195-A207 PolarHBondContact N-O 3.34Å; G195-A207 PolarHBondContact O-N 2.63Å |
| 196 | V | 94.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.4 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | D205 F206 | V196-D205 CarbonylContact C-O 3.5Å; V196-D205 VanDerWaalsContact CA-O 3.26Å; V196-D205 WeakPolarHBondContact CA-O 3.37Å; V196-F206 HydrophobicContact CG1-CD2 4.29Å |
| 197 | G | 90.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | trans | -62.2 | 135.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R202 E203 D205 | G197-R202 VanDerWaalsContact CA-O 3.27Å; G197-R202 WeakPolarHBondContact CA-O 3.44Å; G197-E203 WeakPolarHBondContact O-CA 3.08Å; G197-D205 PolarHBondContact N-O 2.77Å | ||
| 198 | R | 86.9 | Confident | 91.7 | Very high | 163 Ų | 163 | 70 Ų | 70 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | trans | -101.8 | -11 | -179.3 | -63.2 | -176.1 | -178.9 | -171.7 | -1.7 | 113.8 | N136 | N136-R198 PolarHBondContact OD1-N 3.08Š| ||
| 199 | D | 86.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.5 | 148.4 | -178.8 | -53.8 | -59.6 | 0 | 0 | 0 | 110.5 | N136 R140 G201 R202 | N136-D199 PolarHBondContact ND2-OD2 3.47Å; R140-D199 WeakPolarHBondContact CG-OD2 3.32Å; R140-D199 IonicContact CZ-OD1 2.63Å; R140-D199 IonicContact CZ-OD2 3.3Å; R140-D199 IonicContact NE-OD1 3.34Å; R140-D199 IonicContact NE-OD2 3.51Å; R140-D199 PolarHBondContact NE-OD2 2.93Å; R140-D199 IonicContact NH2-OD1 2.64Å; R140-D199 PolarHBondContact NH2-OD1 3.16Å; R140-D199 IonicContact NH2-OD2 3.41Å; R140-D199 PolarHBondContact NH2-OD2 2.82Å; D199-G201 PolarHBondContact O-N 2.92Å; D199-G201 VanDerWaalsContact O-N 3.17Å; D199-R202 HydrophobicContact CB-CB 4.45Å; D199-R202 HydrophobicContact CB-CG 4.38Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3.18Å |
| 200 | S | 77.7 | Confident | 91.8 | Very high | 121 Ų | 121 | 61.4 Ų | 61.4 | 85% | 0.846 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 121.5 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 111 | E203 | S200-E203 WeakPolarHBondContact CA-OE1 3.48Š|
| 201 | G | 79.6 | Confident | 91.8 | Very high | 60 Ų | 60 | 66 Ų | 66 | 62% | 0.619 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 1.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D199 E203 | D199-G201 PolarHBondContact O-N 2.92Å; D199-G201 VanDerWaalsContact O-N 3.17Å; G201-E203 VanDerWaalsContact CA-OE2 3.23Å; G201-E203 WeakPolarHBondContact CA-OE2 3.4Å; G201-E203 PolarHBondContact N-OE1 3.45Å; G201-E203 PolarHBondContact N-OE2 3Å |
| 202 | R | 80.9 | Confident | 91.6 | Very high | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.06 | 32% | 0.324 | C | S | . | . | trans | -116 | 10 | 177.8 | -59.6 | -174.4 | 172.4 | -115.5 | -3.8 | 113 | I139 S143 Y144 G197 D199 R204 D205 | I139-R202 PolarHBondContact O-NH1 3.48Å; S143-R202 PolarHBondContact OG-NH1 3.35Å; Y144-R202 VanDerWaalsContact CD1-NH2 3.28Å; G197-R202 VanDerWaalsContact CA-O 3.27Å; G197-R202 WeakPolarHBondContact CA-O 3.44Å; D199-R202 HydrophobicContact CB-CB 4.45Å; D199-R202 HydrophobicContact CB-CG 4.38Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3.18Å; R202-R204 PolarHBondContact O-N 3.33Å; R202-R204 VanDerWaalsContact O-N 3.07Å; R202-D205 IonicContact NH1-OD2 2.77Å; R202-D205 WeakPolarHBondContact O-CB 3.41Å; R202-D205 PolarHBondContact O-N 2.87Å | ||
| 203 | E | 84.5 | Confident | 91.2 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.3 | 177.9 | -52.7 | 86.7 | 169.6 | 0 | 0 | 112.1 | G197 S200 G201 | G197-E203 WeakPolarHBondContact O-CA 3.08Å; S200-E203 WeakPolarHBondContact CA-OE1 3.48Å; G201-E203 VanDerWaalsContact CA-OE2 3.23Å; G201-E203 WeakPolarHBondContact CA-OE2 3.4Å; G201-E203 PolarHBondContact N-OE1 3.45Å; G201-E203 PolarHBondContact N-OE2 3Å |
| 204 | R | 90.5 | Very high | 90.8 | Very high | 228 Ų | 228 | 76 Ų | 76 | 86% | 0.86 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -19.1 | 173.9 | -60.8 | -175.7 | -177.7 | -87.1 | -1.2 | 113.3 | R202 F206 | R202-R204 PolarHBondContact O-N 3.33Å; R202-R204 VanDerWaalsContact O-N 3.07Å; R204-F206 PolarHBondContact O-N 3.46Å |
| 205 | D | 93.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | trans | -75.5 | 125.2 | -178 | -63.5 | -5.1 | 0 | 0 | 0 | 108.6 | I139 S143 V196 G197 R202 F223 | I139-D205 HydrophobicContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-OD2 3.29Å; I139-D205 WeakPolarHBondContact CG2-OD2 3.39Å; S143-D205 PolarHBondContact OG-OD2 3.34Å; V196-D205 CarbonylContact C-O 3.5Å; V196-D205 VanDerWaalsContact CA-O 3.26Å; V196-D205 WeakPolarHBondContact CA-O 3.37Å; G197-D205 PolarHBondContact N-O 2.77Å; R202-D205 IonicContact NH1-OD2 2.77Å; R202-D205 WeakPolarHBondContact O-CB 3.41Å; R202-D205 PolarHBondContact O-N 2.87Å; D205-F223 CarbonylContact C-O 3.56Å; D205-F223 WeakPolarHBondContact CA-O 3.12Å | ||
| 206 | F | 96.4 | Very high | 90.3 | Very high | 54 Ų | 54 | 74.3 Ų | 74.3 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140 | 178.4 | 169.4 | -104.6 | 0 | 0 | 0 | 109.8 | L165 L172 W194 G195 V196 R204 Y208 V222 F223 | L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.06Å; L172-F206 HydrophobicContact CD1-CE1 4.34Å; W194-F206 HydrophobicContact CB-CE2 4.08Å; W194-F206 HydrophobicContact CB-CZ 4.32Å; G195-F206 WeakPolarHBondContact O-CD2 3.33Å; V196-F206 HydrophobicContact CG1-CD2 4.29Å; R204-F206 PolarHBondContact O-N 3.46Å; F206-Y208 AromaticContact CE1-CD1 3.97Å; F206-Y208 HydrophobicContact CE1-CD1 3.97Å; F206-V222 CarbonylContact O-C 3.58Å; F206-V222 WeakPolarHBondContact O-CA 3.46Å; F206-F223 HydrophobicContact CD1-CD2 4.07Å; F206-F223 PolarHBondContact N-O 3.44Å; F206-F223 PolarHBondContact O-N 2.64Å |
| 207 | A | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V135 I139 W194 G195 H221 V222 | V135-A207 HydrophobicContact CG1-CB 3.72Å; I139-A207 HydrophobicContact CD1-CB 3.88Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; W194-A207 CarbonylContact C-O 3.59Å; W194-A207 WeakPolarHBondContact CA-O 3.46Å; W194-A207 WeakPolarHBondContact CB-O 3.42Å; G195-A207 PolarHBondContact N-O 3.34Å; G195-A207 PolarHBondContact O-N 2.63Å; A207-H221 CarbonylContact C-O 3.51Å; A207-H221 WeakPolarHBondContact CA-O 3.29Å; A207-V222 HydrophobicContact CB-CG2 3.93Å |
| 208 | Y | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.8 | 168.7 | 77.4 | -97.2 | 0 | 0 | 0 | 111.1 | L172 Q186 I191 V193 F206 A210 C220 H221 F223 | L172-Y208 HydrophobicContact CD1-CD1 4.02Å; L172-Y208 HydrophobicContact CD1-CE1 4.07Å; L172-Y208 HydrophobicContact CD2-CE1 4.13Å; Q186-Y208 HydrophobicContact CG-CE2 3.94Å; I191-Y208 HydrophobicContact CD1-CD2 4.3Å; I191-Y208 HydrophobicContact CD1-CG 4.39Å; I191-Y208 HydrophobicContact CG1-CD2 4.17Å; I191-Y208 HydrophobicContact CG2-CD2 4.37Å; V193-Y208 CarbonylContact O-C 3.57Å; V193-Y208 WeakPolarHBondContact O-CA 3.34Å; F206-Y208 AromaticContact CE1-CD1 3.97Å; F206-Y208 HydrophobicContact CE1-CD1 3.97Å; Y208-A210 HydrophobicContact CD2-CB 4.08Å; Y208-A210 HydrophobicContact CE2-CB 3.91Å; Y208-C220 CarbonylContact O-C 3.33Å; Y208-C220 WeakPolarHBondContact O-CA 3.37Å; Y208-H221 HydrophobicContact CD1-CB 4.25Å; Y208-H221 HydrophobicContact CE1-CB 3.88Å; Y208-H221 HydrophobicContact CE2-CB 4.34Å; Y208-H221 AromaticContact CE2-CD2 3.59Å; Y208-H221 AromaticContact CZ-CD2 3.7Å; Y208-H221 AromaticContact CZ-CG 3.96Å; Y208-H221 PolarHBondContact N-O 3.42Å; Y208-H221 PolarHBondContact O-N 2.84Å; Y208-F223 AromaticContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CE1-CD2 4.48Å; Y208-F223 AromaticContact CE1-CE2 3.42Å; Y208-F223 HydrophobicContact CE1-CE2 3.42Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.42Å; Y208-F223 AromaticContact CE1-CZ 3.94Å; Y208-F223 HydrophobicContact CE1-CZ 3.94Å |
| 209 | V | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.4 | 177.3 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | M121 L126 V135 R192 V193 L218 K219 C220 | M121-V209 HydrophobicContact CG-CG1 4.26Å; L126-V209 HydrophobicContact CD1-CB 4.46Å; L126-V209 HydrophobicContact CD1-CG1 3.55Å; L126-V209 HydrophobicContact CD2-CB 4.3Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.02Å; L126-V209 HydrophobicContact CG-CG1 4.42Å; V135-V209 HydrophobicContact CG2-CG2 3.92Å; R192-V209 PolarHBondContact N-O 2.97Å; V193-V209 HydrophobicContact CB-CB 4.34Å; V193-V209 HydrophobicContact CB-CG2 4.31Å; V193-V209 PolarHBondContact O-N 2.82Å; V209-L218 HydrophobicContact CG1-CB 4.36Å; V209-K219 WeakPolarHBondContact CA-O 3.48Å; V209-C220 HydrophobicContact CG2-CB 3.88Å |
| 210 | A | 97.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q186 Y208 K219 | Q186-A210 VanDerWaalsContact CD-CB 3.44Å; Q186-A210 HydrophobicContact CG-CB 4.15Å; Q186-A210 VanDerWaalsContact OE1-CB 3.28Å; Y208-A210 HydrophobicContact CD2-CB 4.08Å; Y208-A210 HydrophobicContact CE2-CB 3.91Å; A210-K219 PolarHBondContact N-O 3.44Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 3.29Å |
| 211 | R | 95.7 | Very high | 92.3 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.5 | 175.6 | -164.1 | 175.3 | -165.3 | 176.9 | 0.4 | 109.9 | Q216 M217 L218 | R211-Q216 VanDerWaalsContact CZ-OE1 3.28Å; R211-Q216 PolarHBondContact NE-O 3.46Å; R211-Q216 PolarHBondContact NH2-O 3.43Å; R211-M217 CarbonylContact C-O 3.59Å; R211-M217 WeakPolarHBondContact CA-O 3.42Å; R211-L218 HydrophobicContact CB-CD2 4.14Å; R211-L218 HydrophobicContact CG-CD2 4.47Å |
| 212 | D | 91.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | trans | -65.9 | 131.2 | 174.8 | -171.1 | -77.6 | 0 | 0 | 0 | 110.3 | L214 T215 Q216 M217 K219 | D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.97Å; D212-L214 WeakPolarHBondContact OD1-CA 3.15Å; D212-L214 WeakPolarHBondContact OD1-CB 3.29Å; D212-L214 PolarHBondContact OD1-N 2.78Å; D212-T215 WeakPolarHBondContact CB-OG1 3.48Å; D212-T215 PolarHBondContact OD1-N 3.4Å; D212-T215 PolarHBondContact OD1-OG1 2.91Å; D212-Q216 WeakPolarHBondContact O-CA 3.19Å; D212-Q216 PolarHBondContact O-N 3.31Å; D212-M217 PolarHBondContact N-O 2.94Å; D212-K219 HydrophobicContact CB-CD 4.15Å; D212-K219 IonicContact OD2-NZ 3.28Å; D212-K219 PolarHBondContact OD2-NZ 3.41Å | ||
| 213 | K | 87 | Confident | 93.7 | Very high | 151 Ų | 151 | 56 Ų | 56 | 66% | 0.657 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.6 | -175.4 | -66 | 180 | -177.8 | 173.8 | 0 | 112.5 | Q216 | K213-Q216 PolarHBondContact O-NE2 2.88Š|
| 214 | L | 88.1 | Confident | 94.2 | Very high | 161 Ų | 161 | 53 Ų | 53 | 84% | 0.843 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -50.5 | -175.1 | -62.1 | 173.9 | 0 | 0 | 0 | 110.7 | D212 | D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.97Å; D212-L214 WeakPolarHBondContact OD1-CA 3.15Å; D212-L214 WeakPolarHBondContact OD1-CB 3.29Å; D212-L214 PolarHBondContact OD1-N 2.78Å |
| 215 | T | 89.8 | Confident | 94.4 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.4 | -174.3 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | D212 M217 | D212-T215 WeakPolarHBondContact CB-OG1 3.48Å; D212-T215 PolarHBondContact OD1-N 3.4Å; D212-T215 PolarHBondContact OD1-OG1 2.91Å; T215-M217 VanDerWaalsContact CB-SD 3.56Å; T215-M217 HydrophobicContact CG2-SD 4.24Å; T215-M217 PolarHBondContact O-N 2.95Å; T215-M217 WeakPolarHBondContact OG1-CB 3.44Å; T215-M217 WeakPolarHBondContact OG1-CG 3.44Å; T215-M217 PolarHBondContact OG1-N 3.4Å; T215-M217 PolarHBondContact OG1-SD 3.48Å |
| 216 | Q | 92.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | trans | 59.5 | 11.1 | -174 | -62.3 | -64.4 | -56.9 | 0 | 0 | 114.3 | R211 D212 K213 | R211-Q216 VanDerWaalsContact CZ-OE1 3.28Å; R211-Q216 PolarHBondContact NE-O 3.46Å; R211-Q216 PolarHBondContact NH2-O 3.43Å; D212-Q216 WeakPolarHBondContact O-CA 3.19Å; D212-Q216 PolarHBondContact O-N 3.31Å; K213-Q216 PolarHBondContact O-NE2 2.88Å | ||
| 217 | M | 94.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 26% | 0.256 | 21% | 0.209 | S | C | . | . | trans | -81.4 | 150.6 | 177.3 | -61 | 160.1 | 77.9 | 0 | 0 | 110.3 | E120 R211 D212 T215 | E120-M217 HydrophobicContact CB-CE 4.2Å; E120-M217 HydrophobicContact CG-CE 3.74Å; E120-M217 WeakPolarHBondContact OE1-CE 3.35Å; E120-M217 WeakPolarHBondContact OE2-CE 3.35Å; R211-M217 CarbonylContact C-O 3.59Å; R211-M217 WeakPolarHBondContact CA-O 3.42Å; D212-M217 PolarHBondContact N-O 2.94Å; T215-M217 VanDerWaalsContact CB-SD 3.56Å; T215-M217 HydrophobicContact CG2-SD 4.24Å; T215-M217 PolarHBondContact O-N 2.95Å; T215-M217 WeakPolarHBondContact OG1-CB 3.44Å; T215-M217 WeakPolarHBondContact OG1-CG 3.44Å; T215-M217 PolarHBondContact OG1-N 3.4Å; T215-M217 PolarHBondContact OG1-SD 3.48Å | ||
| 218 | L | 95.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.7 | 170.3 | -64.8 | 154.6 | 0 | 0 | 0 | 108 | E120 M121 L126 R192 V209 R211 | E120-L218 WeakPolarHBondContact CA-O 3.44Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.84Å; M121-L218 WeakPolarHBondContact O-CB 3.45Å; L126-L218 HydrophobicContact CD1-CB 4.28Å; L126-L218 HydrophobicContact CD1-CD1 3.8Å; L126-L218 HydrophobicContact CD1-CD2 4.01Å; L126-L218 HydrophobicContact CD1-CG 4.24Å; R192-L218 VanDerWaalsContact NH1-CD2 3.33Å; V209-L218 HydrophobicContact CG1-CB 4.36Å; R211-L218 HydrophobicContact CB-CD2 4.14Å; R211-L218 HydrophobicContact CG-CD2 4.47Å |
| 219 | K | 95.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.4 | -179.8 | -66 | -179.4 | -179.6 | 171.2 | 0 | 109.1 | W118 V119 V209 A210 D212 H221 | W118-K219 HydrophobicContact CD2-CD 4.02Å; W118-K219 HydrophobicContact CD2-CG 4.36Å; W118-K219 HydrophobicContact CE3-CB 4.26Å; W118-K219 HydrophobicContact CE3-CD 3.85Å; W118-K219 HydrophobicContact CE3-CG 3.76Å; W118-K219 HydrophobicContact CZ3-CD 4.18Å; W118-K219 HydrophobicContact CZ3-CG 4.12Å; V119-K219 WeakPolarHBondContact O-CA 3.41Å; V209-K219 WeakPolarHBondContact CA-O 3.48Å; A210-K219 PolarHBondContact N-O 3.44Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 3.29Å; D212-K219 HydrophobicContact CB-CD 4.15Å; D212-K219 IonicContact OD2-NZ 3.28Å; D212-K219 PolarHBondContact OD2-NZ 3.41Å; K219-H221 VanDerWaalsContact CB-NE2 3.33Å; K219-H221 WeakPolarHBondContact CB-NE2 3.1Å |
| 220 | C | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.7 | 166.6 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | W118 V119 M121 C138 Y208 V209 | W118-C220 CarbonylContact C-O 3.56Å; W118-C220 WeakPolarHBondContact CA-O 3.45Å; W118-C220 WeakPolarHBondContact CB-O 3.44Å; V119-C220 PolarHBondContact N-O 3.24Å; V119-C220 PolarHBondContact O-N 3.06Å; M121-C220 HydrophobicContact CG-CB 3.7Å; M121-C220 HydrophobicContact SD-CB 3.86Å; C138-C220 HydrophobicContact CB-CB 4.17Å; C138-C220 VanDerWaalsContact CB-SG 3.55Å; Y208-C220 CarbonylContact O-C 3.33Å; Y208-C220 WeakPolarHBondContact O-CA 3.37Å; V209-C220 HydrophobicContact CG2-CB 3.88Å |
| 221 | H | 95.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.6 | 176 | -62.9 | -75.3 | 0 | 0 | 0 | 109.3 | W118 W157 A207 Y208 K219 F223 | W118-H221 WeakPolarHBondContact CB-ND1 3.41Å; W157-H221 AromaticContact CH2-CE1 3.26Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.48Å; W157-H221 AromaticContact CH2-ND1 3.37Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.29Å; W157-H221 AromaticContact CH2-NE2 3.94Å; W157-H221 AromaticContact CZ3-CE1 3.75Å; W157-H221 AromaticContact CZ3-ND1 3.33Å; W157-H221 VanDerWaalsContact CZ3-ND1 3.33Å; W157-H221 WeakPolarHBondContact CZ3-ND1 2.97Å; A207-H221 CarbonylContact C-O 3.51Å; A207-H221 WeakPolarHBondContact CA-O 3.29Å; Y208-H221 HydrophobicContact CD1-CB 4.25Å; Y208-H221 HydrophobicContact CE1-CB 3.88Å; Y208-H221 HydrophobicContact CE2-CB 4.34Å; Y208-H221 AromaticContact CE2-CD2 3.59Å; Y208-H221 AromaticContact CZ-CD2 3.7Å; Y208-H221 AromaticContact CZ-CG 3.96Å; Y208-H221 PolarHBondContact N-O 3.42Å; Y208-H221 PolarHBondContact O-N 2.84Å; K219-H221 VanDerWaalsContact CB-NE2 3.33Å; K219-H221 WeakPolarHBondContact CB-NE2 3.1Å; H221-F223 HydrophobicContact CB-CE2 3.71Å; H221-F223 HydrophobicContact CB-CZ 4.09Å |
| 222 | V | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.5 | -177.2 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | L116 G117 C138 I139 L142 F206 A207 | L116-V222 HydrophobicContact CB-CB 4.2Å; L116-V222 HydrophobicContact CB-CG1 4.19Å; L116-V222 HydrophobicContact CD1-CG1 3.94Å; L116-V222 HydrophobicContact CG-CG1 4.43Å; L116-V222 PolarHBondContact N-O 2.81Å; G117-V222 PolarHBondContact O-N 2.68Å; G117-V222 VanDerWaalsContact O-N 3.08Å; C138-V222 HydrophobicContact CB-CG2 4.34Å; I139-V222 HydrophobicContact CB-CG1 4.48Å; I139-V222 HydrophobicContact CG1-CG1 3.95Å; I139-V222 HydrophobicContact CG1-CG2 4.28Å; L142-V222 HydrophobicContact CD1-CB 3.9Å; L142-V222 HydrophobicContact CD1-CG2 3.67Å; F206-V222 CarbonylContact O-C 3.58Å; F206-V222 WeakPolarHBondContact O-CA 3.46Å; A207-V222 HydrophobicContact CB-CG2 3.93Å |
| 223 | F | 94.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | trans | -137.3 | 0 | -174.9 | -59 | -86.4 | 0 | 0 | 0 | 112.1 | V113 R114 L163 L174 D205 F206 Y208 H221 | V113-F223 HydrophobicContact CB-CB 4.08Å; V113-F223 HydrophobicContact CB-CD1 4.46Å; V113-F223 HydrophobicContact CG2-CB 4.36Å; V113-F223 HydrophobicContact CG2-CD1 3.85Å; V113-F223 HydrophobicContact CG2-CG 4.39Å; R114-F223 CarbonylContact O-C 3.59Å; R114-F223 WeakPolarHBondContact O-CA 3.23Å; L163-F223 HydrophobicContact CD1-CE1 4.42Å; L174-F223 HydrophobicContact CD1-CE1 3.79Å; L174-F223 HydrophobicContact CD1-CZ 3.73Å; L174-F223 HydrophobicContact CD2-CE1 3.75Å; L174-F223 HydrophobicContact CD2-CZ 3.99Å; L174-F223 HydrophobicContact CG-CE1 4.45Å; L174-F223 HydrophobicContact CG-CZ 4.48Å; D205-F223 CarbonylContact C-O 3.56Å; D205-F223 WeakPolarHBondContact CA-O 3.12Å; F206-F223 HydrophobicContact CD1-CD2 4.07Å; F206-F223 PolarHBondContact N-O 3.44Å; F206-F223 PolarHBondContact O-N 2.64Å; Y208-F223 AromaticContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CE1-CD2 4.48Å; Y208-F223 AromaticContact CE1-CE2 3.42Å; Y208-F223 HydrophobicContact CE1-CE2 3.42Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.42Å; Y208-F223 AromaticContact CE1-CZ 3.94Å; Y208-F223 HydrophobicContact CE1-CZ 3.94Å; H221-F223 HydrophobicContact CB-CE2 3.71Å; H221-F223 HydrophobicContact CB-CZ 4.09Å |
Retrieved 223 of 223 residues in 95.7 ms
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