| 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 | 49.6 | Very low | 55.7 | Low | 240 Ų | 240 | 146.4 Ų | 146.4 | 100% | 1.182 | 78% | 0.776 | S | S | * | * | 0 | 127.1 | 0 | -155.5 | -173.4 | -73.3 | 0 | 0 | 106.5 | |||||
| 2 | L | 48.5 | Very low | 56.1 | Low | 145 Ų | 145 | 141.2 Ų | 141.2 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -46.4 | 130.1 | -157.4 | -113.5 | 68.1 | 0 | 0 | 0 | 116.7 | I4 | L2-I4 HydrophobicContact CD2-CD1 3.49Å; L2-I4 VanDerWaalsContact CD2-CD1 3.49Å; L2-I4 HydrophobicContact CD2-CG1 3.79Å; L2-I4 HydrophobicContact CG-CD1 4.38Å; L2-I4 HydrophobicContact CG-CG1 4.17Å | ||
| 3 | H | 46 | Very low | 56.4 | Low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -90.4 | 119.2 | 150.3 | -68.5 | 155 | 0 | 0 | 0 | 107.9 | ||||
| 4 | I | 62.6 | Low | 57.1 | Low | 123 Ų | 123 | 141.6 Ų | 141.6 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | trans | -129.5 | 101.1 | 157.1 | -49.8 | -177.1 | 0 | 0 | 0 | 107.5 | L2 T6 | L2-I4 HydrophobicContact CD2-CD1 3.49Å; L2-I4 VanDerWaalsContact CD2-CD1 3.49Å; L2-I4 HydrophobicContact CD2-CG1 3.79Å; L2-I4 HydrophobicContact CG-CD1 4.38Å; L2-I4 HydrophobicContact CG-CG1 4.17Å; I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.09Å; I4-T6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | T | 60.3 | Low | 58.2 | Low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | trans | -72.3 | 90.9 | 166.4 | -59.2 | 0 | 0 | 0 | 0 | 108.2 | M7 | T5-M7 HydrophobicContact CG2-CE 4.13Å; T5-M7 HydrophobicContact CG2-CG 3.6Å | ||
| 6 | T | 58.1 | Low | 59.4 | Low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | trans | -95.5 | 79.6 | 161.1 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | I4 T8 | I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.09Å; I4-T6 VanDerWaalsContact O-N 3.13Å; T6-T8 PolarHBondContact O-N 3.13Å; T6-T8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | M | 56.3 | Low | 60.8 | Low | 165 Ų | 165 | 135.5 Ų | 135.5 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | -78 | 87.8 | 161.4 | -57.7 | -77.5 | 179.3 | 0 | 0 | 105.8 | T5 D9 | T5-M7 HydrophobicContact CG2-CE 4.13Å; T5-M7 HydrophobicContact CG2-CG 3.6Å; M7-D9 VanDerWaalsContact C-N 3.32Å; M7-D9 PolarHBondContact O-N 2.96Å | ||
| 8 | T | 64.2 | Low | 61.9 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -66.8 | 95.1 | 169 | 47.2 | 0 | 0 | 0 | 0 | 108.2 | T6 K10 | T6-T8 PolarHBondContact O-N 3.13Å; T6-T8 VanDerWaalsContact O-N 3.09Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.96Å | ||
| 9 | D | 51.8 | Low | 63 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -64.2 | 95 | 165.1 | -177.2 | 21.6 | 0 | 0 | 0 | 108.7 | M7 | M7-D9 VanDerWaalsContact C-N 3.32Å; M7-D9 PolarHBondContact O-N 2.96Å | ||
| 10 | K | 56.1 | Low | 64.1 | Low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | trans | -129.4 | 82.4 | 159.3 | -77.8 | -163.4 | -178.9 | -173.1 | 0 | 107.2 | T8 P12 | T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.96Å; K10-P12 WeakPolarHBondContact O-CD 3.05Å | ||
| 11 | A | 59.6 | Low | 65.1 | Low | 66 Ų | 66 | 134.6 Ų | 134.6 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | trans | -95.5 | 92 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I13 | A11-I13 HydrophobicContact CB-CG1 3.96Å; A11-I13 PolarHBondContact O-N 3.27Å | ||
| 12 | P | 60.6 | Low | 66.8 | Low | 84 Ų | 84 | 126.7 Ų | 126.7 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -77.7 | 57.8 | 174 | 36.3 | -36.9 | 0 | 0 | 0 | 110 | K10 | K10-P12 WeakPolarHBondContact O-CD 3.05Š| ||
| 13 | I | 59.3 | Low | 68.6 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 54% | 0.544 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -88.3 | -14 | -176.4 | -55 | -58.4 | 0 | 0 | 0 | 111.6 | A11 | A11-I13 HydrophobicContact CB-CG1 3.96Å; A11-I13 PolarHBondContact O-N 3.27Å |
| 14 | K | 66.2 | Low | 70.8 | Confident | 182 Ų | 182 | 119.8 Ų | 119.8 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.3 | -32.5 | 178.7 | -60.8 | -170.2 | -176.8 | -176 | 0 | 113.4 | ||
| 15 | T | 74.2 | Confident | 72.1 | Confident | 88 Ų | 88 | 119.8 Ų | 119.8 | 54% | 0.54 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.4 | -43.4 | -174.9 | -45.2 | 0 | 0 | 0 | 0 | 112.9 | K17 R18 L19 | T15-K17 PolarHBondContact O-N 3.42Å; T15-R18 PolarHBondContact O-N 3.1Å; T15-L19 HydrophobicContact CG2-CD1 4.34Å; T15-L19 PolarHBondContact O-N 2.84Å; T15-L19 VanDerWaalsContact O-N 3.1Å |
| 16 | N | 77.2 | Confident | 73.6 | Confident | 96 Ų | 96 | 117.9 Ų | 117.9 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.7 | -42.2 | -178.9 | -78.8 | -68.1 | 0 | 0 | 0 | 112.9 | R18 L19 Q20 | N16-R18 VanDerWaalsContact C-N 3.34Å; N16-R18 PolarHBondContact O-N 2.84Å; N16-L19 PolarHBondContact O-N 3.26Å; N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å |
| 17 | K | 82.5 | Confident | 75.3 | Confident | 138 Ų | 138 | 117.5 Ų | 117.5 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -40.3 | 178 | -69.3 | -174.6 | 177.9 | -178.6 | 0 | 112.1 | T15 Q21 | T15-K17 PolarHBondContact O-N 3.42Å; K17-Q21 WeakPolarHBondContact O-CB 3.36Å; K17-Q21 VanDerWaalsContact O-CG 3.27Å; K17-Q21 WeakPolarHBondContact O-CG 3.26Å; K17-Q21 PolarHBondContact O-N 3.38Å |
| 18 | R | 81.5 | Confident | 77.1 | Confident | 179 Ų | 179 | 115.5 Ų | 115.5 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -43.1 | 178 | -69.7 | -71.8 | 174.8 | 166.4 | -3 | 111.7 | T15 N16 Q21 T22 | T15-R18 PolarHBondContact O-N 3.1Å; N16-R18 VanDerWaalsContact C-N 3.34Å; N16-R18 PolarHBondContact O-N 2.84Å; R18-Q21 PolarHBondContact O-N 2.97Å; R18-T22 PolarHBondContact O-N 2.99Å; R18-T22 PolarHBondContact O-OG1 3.33Å; R18-T22 VanDerWaalsContact O-OG1 3.08Å |
| 19 | L | 82.7 | Confident | 78.5 | Confident | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -41.9 | 176.2 | -69 | 175.3 | 0 | 0 | 0 | 112.5 | T15 N16 T22 Q23 | T15-L19 HydrophobicContact CG2-CD1 4.34Å; T15-L19 PolarHBondContact O-N 2.84Å; T15-L19 VanDerWaalsContact O-N 3.1Å; N16-L19 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-N 3.36Å; L19-Q23 WeakPolarHBondContact O-CG 3.27Å; L19-Q23 PolarHBondContact O-N 3.47Å |
| 20 | Q | 84.2 | Confident | 80.6 | Confident | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63 | -41.1 | 175.1 | -73.2 | 176.7 | 4.3 | 0 | 0 | 111.9 | N16 Q23 A24 | N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å; Q20-Q23 PolarHBondContact O-N 2.91Å; Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.25Å |
| 21 | Q | 85.3 | Confident | 82.4 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 173.1 | -75.7 | 176.4 | -32.3 | 0 | 0 | 111.7 | K17 R18 A24 Q25 | K17-Q21 WeakPolarHBondContact O-CB 3.36Å; K17-Q21 VanDerWaalsContact O-CG 3.27Å; K17-Q21 WeakPolarHBondContact O-CG 3.26Å; K17-Q21 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 2.97Å; Q21-A24 PolarHBondContact O-N 3.34Å; Q21-Q25 WeakPolarHBondContact O-CB 3.37Å; Q21-Q25 PolarHBondContact O-N 2.98Å |
| 22 | T | 86.3 | Confident | 84.1 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | R18 L19 Q25 V26 | R18-T22 PolarHBondContact O-N 2.99Å; R18-T22 PolarHBondContact O-OG1 3.33Å; R18-T22 VanDerWaalsContact O-OG1 3.08Å; L19-T22 PolarHBondContact O-N 3.36Å; T22-Q25 PolarHBondContact O-N 2.78Å; T22-V26 HydrophobicContact CG2-CG2 4.42Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.3Å; T22-V26 PolarHBondContact O-N 3.43Å |
| 23 | Q | 86.7 | Confident | 85.8 | Confident | 128 Ų | 128 | 105.4 Ų | 105.4 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.1 | -76.9 | -179.4 | -11.4 | 0 | 0 | 111.9 | L19 Q20 V26 N27 | L19-Q23 WeakPolarHBondContact O-CG 3.27Å; L19-Q23 PolarHBondContact O-N 3.47Å; Q20-Q23 PolarHBondContact O-N 2.91Å; Q23-V26 PolarHBondContact O-N 2.91Å; Q23-N27 WeakPolarHBondContact O-CB 3.27Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.33Å |
| 24 | A | 90.5 | Very high | 87.6 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q20 Q21 N27 E28 | Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.25Å; Q21-A24 PolarHBondContact O-N 3.34Å; A24-N27 PolarHBondContact O-N 3.37Å; A24-E28 PolarHBondContact O-N 2.96Å |
| 25 | Q | 91.5 | Very high | 89 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 177 | -174.4 | 178.3 | 40.8 | 0 | 0 | 112.3 | Q21 T22 E28 V29 | Q21-Q25 WeakPolarHBondContact O-CB 3.37Å; Q21-Q25 PolarHBondContact O-N 2.98Å; T22-Q25 PolarHBondContact O-N 2.78Å; Q25-E28 PolarHBondContact O-N 3.47Å; Q25-V29 VanDerWaalsContact O-CG2 3.31Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 3Å |
| 26 | V | 91.6 | Very high | 90 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | T22 Q23 E28 V29 V30 | T22-V26 HydrophobicContact CG2-CG2 4.42Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.3Å; T22-V26 PolarHBondContact O-N 3.43Å; Q23-V26 PolarHBondContact O-N 2.91Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.28Å; V26-V29 PolarHBondContact O-N 3.48Å; V26-V30 HydrophobicContact CG1-CG2 4.23Å; V26-V30 WeakPolarHBondContact O-CB 3.31Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.5Å; V26-V30 PolarHBondContact O-N 2.82Å |
| 27 | N | 93.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.5 | -70.5 | -20.8 | 0 | 0 | 0 | 111.4 | Q23 A24 V29 V30 D31 | Q23-N27 WeakPolarHBondContact O-CB 3.27Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.33Å; A24-N27 PolarHBondContact O-N 3.37Å; N27-V29 PolarHBondContact O-N 3.36Å; N27-V30 PolarHBondContact O-N 3.08Å; N27-D31 VanDerWaalsContact O-CG 3.29Å; N27-D31 PolarHBondContact O-N 2.94Å |
| 28 | E | 94.6 | Very high | 91.5 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 175.4 | -177.7 | 178.9 | -167 | 0 | 0 | 111.9 | A24 Q25 V26 V30 D31 I32 | A24-E28 PolarHBondContact O-N 2.96Å; Q25-E28 PolarHBondContact O-N 3.47Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.28Å; E28-V30 PolarHBondContact O-N 3.22Å; E28-D31 PolarHBondContact O-N 3.41Å; E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.44Å; E28-I32 PolarHBondContact O-N 3.1Å |
| 29 | V | 93.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | Q25 V26 N27 D31 I32 M33 | Q25-V29 VanDerWaalsContact O-CG2 3.31Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 3Å; V26-V29 PolarHBondContact O-N 3.48Å; N27-V29 PolarHBondContact O-N 3.36Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 2.96Å; V29-I32 PolarHBondContact O-N 2.82Å; V29-M33 HydrophobicContact CG1-CG 4.31Å; V29-M33 WeakPolarHBondContact O-CB 3.48Å; V29-M33 VanDerWaalsContact O-CG 3.3Å; V29-M33 WeakPolarHBondContact O-CG 3.33Å; V29-M33 PolarHBondContact O-N 3.35Å |
| 30 | V | 94.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 94.4 Ų | 94.4 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 175 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | V26 N27 E28 M33 R34 | V26-V30 HydrophobicContact CG1-CG2 4.23Å; V26-V30 WeakPolarHBondContact O-CB 3.31Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.5Å; V26-V30 PolarHBondContact O-N 2.82Å; N27-V30 PolarHBondContact O-N 3.08Å; E28-V30 PolarHBondContact O-N 3.22Å; V30-M33 PolarHBondContact O-N 2.87Å; V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.46Å |
| 31 | D | 95.5 | Very high | 93.4 | Very high | 78 Ų | 78 | 92.8 Ų | 92.8 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.2 | -68.6 | -27 | 0 | 0 | 0 | 111.5 | N27 E28 V29 M33 R34 V35 | N27-D31 VanDerWaalsContact O-CG 3.29Å; N27-D31 PolarHBondContact O-N 2.94Å; E28-D31 PolarHBondContact O-N 3.41Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 2.96Å; D31-M33 VanDerWaalsContact C-N 3.34Å; D31-M33 PolarHBondContact O-N 3.47Å; D31-R34 PolarHBondContact O-N 3.35Å; D31-R34 IonicContact OD1-CZ 3.89Å; D31-R34 IonicContact OD1-NH1 2.78Å; D31-R34 PolarHBondContact OD1-NH1 3.25Å; D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 2.81Å; D31-V35 VanDerWaalsContact O-N 3.12Å |
| 32 | I | 95.5 | Very high | 93.9 | Very high | 84 Ų | 84 | 93.1 Ų | 93.1 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 172.4 | -67.9 | 165.4 | 0 | 0 | 0 | 111 | E28 V29 V35 N36 | E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.44Å; E28-I32 PolarHBondContact O-N 3.1Å; V29-I32 PolarHBondContact O-N 2.82Å; I32-V35 PolarHBondContact O-N 3.31Å; I32-N36 WeakPolarHBondContact O-CB 3.32Å; I32-N36 PolarHBondContact O-N 3.31Å; I32-N36 PolarHBondContact O-ND2 3.23Å; I32-N36 PolarHBondContact O-OD1 2.85Å |
| 33 | M | 95.2 | Very high | 94.3 | Very high | 103 Ų | 103 | 96.7 Ų | 96.7 | 51% | 0.507 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 179.4 | -76 | -62.3 | -66.9 | 0 | 0 | 112.4 | V29 V30 D31 N36 V37 | V29-M33 HydrophobicContact CG1-CG 4.31Å; V29-M33 WeakPolarHBondContact O-CB 3.48Å; V29-M33 VanDerWaalsContact O-CG 3.3Å; V29-M33 WeakPolarHBondContact O-CG 3.33Å; V29-M33 PolarHBondContact O-N 3.35Å; V30-M33 PolarHBondContact O-N 2.87Å; D31-M33 VanDerWaalsContact C-N 3.34Å; D31-M33 PolarHBondContact O-N 3.47Å; M33-N36 PolarHBondContact O-N 2.91Å; M33-V37 VanDerWaalsContact O-CG2 3.31Å; M33-V37 WeakPolarHBondContact O-CG2 3.43Å; M33-V37 PolarHBondContact O-N 3.49Å |
| 34 | R | 96.5 | Very high | 94.8 | Very high | 151 Ų | 151 | 95.6 Ų | 95.6 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.7 | -51.5 | 171.5 | -74.8 | 172.1 | 178.4 | 151.5 | -4.3 | 110.6 | V30 D31 N36 V37 D38 | V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.46Å; D31-R34 PolarHBondContact O-N 3.35Å; D31-R34 IonicContact OD1-CZ 3.89Å; D31-R34 IonicContact OD1-NH1 2.78Å; D31-R34 PolarHBondContact OD1-NH1 3.25Å; R34-N36 VanDerWaalsContact C-N 3.27Å; R34-N36 PolarHBondContact O-N 3.5Å; R34-V37 PolarHBondContact O-N 2.96Å; R34-V37 VanDerWaalsContact O-N 3.1Å; R34-D38 PolarHBondContact O-N 3Å |
| 35 | V | 95.8 | Very high | 95 | Very high | 72 Ų | 72 | 100 Ų | 100 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | D31 I32 D38 K39 | D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 2.81Å; D31-V35 VanDerWaalsContact O-N 3.12Å; I32-V35 PolarHBondContact O-N 3.31Å; V35-D38 PolarHBondContact O-N 3.12Å; V35-K39 HydrophobicContact CG1-CD 4.18Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 VanDerWaalsContact O-CG 3.26Å; V35-K39 WeakPolarHBondContact O-CG 3.29Å; V35-K39 PolarHBondContact O-N 3.45Å |
| 36 | N | 95.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 98.3 Ų | 98.3 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 176.4 | -71.4 | -15.6 | 0 | 0 | 0 | 112.7 | I32 M33 R34 K39 V40 | I32-N36 WeakPolarHBondContact O-CB 3.32Å; I32-N36 PolarHBondContact O-N 3.31Å; I32-N36 PolarHBondContact O-ND2 3.23Å; I32-N36 PolarHBondContact O-OD1 2.85Å; M33-N36 PolarHBondContact O-N 2.91Å; R34-N36 VanDerWaalsContact C-N 3.27Å; R34-N36 PolarHBondContact O-N 3.5Å; N36-K39 PolarHBondContact O-N 3.27Å; N36-V40 WeakPolarHBondContact O-CB 3.26Å; N36-V40 PolarHBondContact O-N 3.12Å |
| 37 | V | 96.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 99.3 Ų | 99.3 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | M33 R34 K39 V40 L41 | M33-V37 VanDerWaalsContact O-CG2 3.31Å; M33-V37 WeakPolarHBondContact O-CG2 3.43Å; M33-V37 PolarHBondContact O-N 3.49Å; R34-V37 PolarHBondContact O-N 2.96Å; R34-V37 VanDerWaalsContact O-N 3.1Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.43Å; V37-V40 WeakPolarHBondContact O-CG1 3.35Å; V37-V40 PolarHBondContact O-N 2.93Å; V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 WeakPolarHBondContact O-CB 3.5Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 2.98Å |
| 38 | D | 96.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 174.5 | -64.5 | -31.4 | 0 | 0 | 0 | 111 | R34 V35 V40 L41 E42 | R34-D38 PolarHBondContact O-N 3Å; V35-D38 PolarHBondContact O-N 3.12Å; D38-V40 PolarHBondContact O-N 2.89Å; D38-L41 PolarHBondContact O-N 3.33Å; D38-E42 PolarHBondContact O-N 3.42Å |
| 39 | K | 96.2 | Very high | 95.4 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.1 | -74 | 172.1 | -178.9 | 173 | 0 | 113.3 | V35 N36 V37 R43 | V35-K39 HydrophobicContact CG1-CD 4.18Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 VanDerWaalsContact O-CG 3.26Å; V35-K39 WeakPolarHBondContact O-CG 3.29Å; V35-K39 PolarHBondContact O-N 3.45Å; N36-K39 PolarHBondContact O-N 3.27Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.43Å; K39-R43 WeakPolarHBondContact O-CB 3.49Å; K39-R43 PolarHBondContact O-N 2.87Å |
| 40 | V | 95.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.3 | -34.6 | 179.6 | 84.4 | 0 | 0 | 0 | 0 | 111.2 | N36 V37 D38 R43 D44 | N36-V40 WeakPolarHBondContact O-CB 3.26Å; N36-V40 PolarHBondContact O-N 3.12Å; V37-V40 WeakPolarHBondContact O-CG1 3.35Å; V37-V40 PolarHBondContact O-N 2.93Å; D38-V40 PolarHBondContact O-N 2.89Å; V40-R43 WeakPolarHBondContact O-CB 3.46Å; V40-R43 PolarHBondContact O-N 3.27Å; V40-D44 WeakPolarHBondContact O-CB 3.48Å; V40-D44 PolarHBondContact O-N 3.33Å |
| 41 | L | 94.8 | Very high | 95.5 | Very high | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 173.3 | -73.1 | 165.9 | 0 | 0 | 0 | 111.8 | V37 D38 R43 D44 K45 | V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 WeakPolarHBondContact O-CB 3.5Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 2.98Å; D38-L41 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-D44 WeakPolarHBondContact O-CB 3.27Å; L41-D44 PolarHBondContact O-N 2.81Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.44Å; L41-K45 VanDerWaalsContact O-N 3.12Å |
| 42 | E | 96.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 173.1 | -175.9 | 163.9 | -158 | 0 | 0 | 111.6 | D38 D44 K45 N46 | D38-E42 PolarHBondContact O-N 3.42Å; E42-D44 VanDerWaalsContact C-N 3.33Å; E42-D44 PolarHBondContact O-N 3.47Å; E42-K45 PolarHBondContact O-N 3.03Å; E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.47Å |
| 43 | R | 95.6 | Very high | 95.4 | Very high | 150 Ų | 150 | 102.8 Ų | 102.8 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 171.7 | -173.4 | -174.6 | -62.3 | 142.8 | 2.2 | 111.8 | K39 V40 L41 N46 L47 | K39-R43 WeakPolarHBondContact O-CB 3.49Å; K39-R43 PolarHBondContact O-N 2.87Å; V40-R43 WeakPolarHBondContact O-CB 3.46Å; V40-R43 PolarHBondContact O-N 3.27Å; L41-R43 VanDerWaalsContact C-N 3.34Å; R43-N46 PolarHBondContact O-N 3.48Å; R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CB 3.35Å; R43-L47 VanDerWaalsContact O-CG 3.28Å; R43-L47 WeakPolarHBondContact O-CG 3.35Å; R43-L47 PolarHBondContact O-N 3.39Å |
| 44 | D | 95.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 178.3 | -171.4 | 72 | 0 | 0 | 0 | 111.8 | V40 L41 E42 L47 S48 | V40-D44 WeakPolarHBondContact O-CB 3.48Å; V40-D44 PolarHBondContact O-N 3.33Å; L41-D44 WeakPolarHBondContact O-CB 3.27Å; L41-D44 PolarHBondContact O-N 2.81Å; E42-D44 VanDerWaalsContact C-N 3.33Å; E42-D44 PolarHBondContact O-N 3.47Å; D44-L47 PolarHBondContact O-N 3.38Å; D44-S48 PolarHBondContact O-N 3Å |
| 45 | K | 95.6 | Very high | 95.4 | Very high | 150 Ų | 150 | 97.5 Ų | 97.5 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.7 | -48.2 | 173.3 | -69.4 | 172.6 | -176.1 | 165.3 | 0 | 112.4 | L41 E42 L47 S48 E49 | L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.44Å; L41-K45 VanDerWaalsContact O-N 3.12Å; E42-K45 PolarHBondContact O-N 3.03Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 2.97Å; K45-S48 PolarHBondContact O-N 3.17Å; K45-E49 PolarHBondContact O-N 2.92Å |
| 46 | N | 95 | Very high | 95.4 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 178 | -75 | -47.1 | 0 | 0 | 0 | 111.8 | E42 R43 E49 L50 | E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.47Å; R43-N46 PolarHBondContact O-N 3.48Å; N46-E49 PolarHBondContact O-N 3.42Å; N46-L50 WeakPolarHBondContact O-CB 3.28Å; N46-L50 PolarHBondContact O-N 2.81Å |
| 47 | L | 95.2 | Very high | 95.4 | Very high | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.5 | -79 | 171.4 | 0 | 0 | 0 | 111.4 | R43 D44 K45 E49 L50 D51 | R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CB 3.35Å; R43-L47 VanDerWaalsContact O-CG 3.28Å; R43-L47 WeakPolarHBondContact O-CG 3.35Å; R43-L47 PolarHBondContact O-N 3.39Å; D44-L47 PolarHBondContact O-N 3.38Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 2.97Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.77Å; L47-L50 CarbonylContact O-C 3.59Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-L50 VanDerWaalsContact O-N 3.17Å; L47-D51 VanDerWaalsContact O-CB 3.27Å; L47-D51 WeakPolarHBondContact O-CB 3.38Å; L47-D51 PolarHBondContact O-N 3.33Å |
| 48 | S | 94.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 103.3 Ų | 103.3 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -39 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 112 | D44 K45 G52 | D44-S48 PolarHBondContact O-N 3Å; K45-S48 PolarHBondContact O-N 3.17Å; S48-G52 PolarHBondContact O-N 2.63Å; S48-G52 VanDerWaalsContact O-N 3.13Å |
| 49 | E | 95.2 | Very high | 95.2 | Very high | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 172.6 | -175.6 | 177.8 | -172.5 | 0 | 0 | 112 | K45 N46 L47 D51 G52 R53 | K45-E49 PolarHBondContact O-N 2.92Å; N46-E49 PolarHBondContact O-N 3.42Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.77Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 2.87Å; E49-G52 PolarHBondContact O-N 3.17Å; E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.3Å; E49-R53 PolarHBondContact O-N 3.3Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.17Å; E49-R53 PolarHBondContact OE1-NE 3.32Å; E49-R53 IonicContact OE1-NH2 2.63Å; E49-R53 PolarHBondContact OE1-NH2 3.45Å |
| 50 | L | 94.9 | Very high | 95.2 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -38.5 | 177.7 | -125.7 | 71.3 | 0 | 0 | 0 | 111.9 | N46 L47 R53 A54 | N46-L50 WeakPolarHBondContact O-CB 3.28Å; N46-L50 PolarHBondContact O-N 2.81Å; L47-L50 CarbonylContact O-C 3.59Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-L50 VanDerWaalsContact O-N 3.17Å; L50-R53 CarbonylContact O-C 3.58Å; L50-R53 PolarHBondContact O-N 2.87Å; L50-A54 WeakPolarHBondContact O-CA 3.49Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.84Å |
| 51 | D | 94.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 96.5 Ų | 96.5 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 177.8 | -167.1 | 57.4 | 0 | 0 | 0 | 110.3 | L47 E49 R53 A54 D55 | L47-D51 VanDerWaalsContact O-CB 3.27Å; L47-D51 WeakPolarHBondContact O-CB 3.38Å; L47-D51 PolarHBondContact O-N 3.33Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 2.87Å; D51-R53 VanDerWaalsContact C-N 3.33Å; D51-R53 PolarHBondContact O-N 2.94Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.45Å; D51-A54 VanDerWaalsContact O-N 3.08Å; D51-D55 PolarHBondContact O-N 3.08Å |
| 52 | G | 93.8 | Very high | 95 | Very high | 41 Ų | 41 | 95.3 Ų | 95.3 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S48 E49 A56 | S48-G52 PolarHBondContact O-N 2.63Å; S48-G52 VanDerWaalsContact O-N 3.13Å; E49-G52 PolarHBondContact O-N 3.17Å; G52-A56 PolarHBondContact O-N 3.44Å; G52-A56 VanDerWaalsContact O-N 3.14Å |
| 53 | R | 94.8 | Very high | 94.8 | Very high | 158 Ų | 158 | 96.1 Ų | 96.1 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.7 | -36.5 | 173.1 | -72.8 | 177.9 | -178.6 | -158.7 | 2.7 | 112.1 | E49 L50 D51 A56 L57 | E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.3Å; E49-R53 PolarHBondContact O-N 3.3Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.17Å; E49-R53 PolarHBondContact OE1-NE 3.32Å; E49-R53 IonicContact OE1-NH2 2.63Å; E49-R53 PolarHBondContact OE1-NH2 3.45Å; L50-R53 CarbonylContact O-C 3.58Å; L50-R53 PolarHBondContact O-N 2.87Å; D51-R53 VanDerWaalsContact C-N 3.33Å; D51-R53 PolarHBondContact O-N 2.94Å; R53-A56 PolarHBondContact O-N 3.14Å; R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 PolarHBondContact O-N 2.72Å |
| 54 | A | 96.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 96.3 Ų | 96.3 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L50 D51 L57 Q58 | L50-A54 WeakPolarHBondContact O-CA 3.49Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.84Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.45Å; D51-A54 VanDerWaalsContact O-N 3.08Å; A54-L57 CarbonylContact O-C 3.59Å; A54-L57 PolarHBondContact O-N 3.38Å; A54-Q58 WeakPolarHBondContact O-CB 3.22Å; A54-Q58 PolarHBondContact O-N 3.4Å |
| 55 | D | 95.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 171.6 | -82.6 | -18 | 0 | 0 | 0 | 111.5 | D51 L57 Q58 A59 | D51-D55 PolarHBondContact O-N 3.08Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.35Å; D55-Q58 PolarHBondContact O-N 2.84Å; D55-A59 WeakPolarHBondContact O-CB 3.14Å; D55-A59 PolarHBondContact O-N 3.29Å |
| 56 | A | 95 | Very high | 94 | Very high | 65 Ų | 65 | 93.3 Ų | 93.3 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G52 R53 G60 | G52-A56 PolarHBondContact O-N 3.44Å; G52-A56 VanDerWaalsContact O-N 3.14Å; R53-A56 PolarHBondContact O-N 3.14Å; A56-G60 PolarHBondContact O-N 2.72Å |
| 57 | L | 95.2 | Very high | 93.6 | Very high | 129 Ų | 129 | 91.9 Ų | 91.9 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 176.9 | -177 | 64.1 | 0 | 0 | 0 | 111.5 | R53 A54 D55 G60 A61 | R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 PolarHBondContact O-N 2.72Å; A54-L57 CarbonylContact O-C 3.59Å; A54-L57 PolarHBondContact O-N 3.38Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.35Å; L57-G60 PolarHBondContact O-N 2.72Å; L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 2.83Å |
| 58 | Q | 95.7 | Very high | 93.3 | Very high | 141 Ų | 141 | 88.4 Ų | 88.4 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 177.8 | 177.9 | 173.4 | -45 | 0 | 0 | 110.7 | A54 D55 A61 S62 | A54-Q58 WeakPolarHBondContact O-CB 3.22Å; A54-Q58 PolarHBondContact O-N 3.4Å; D55-Q58 PolarHBondContact O-N 2.84Å; Q58-A61 PolarHBondContact O-N 2.91Å; Q58-S62 VanDerWaalsContact O-CB 3.31Å; Q58-S62 WeakPolarHBondContact O-CB 3.45Å; Q58-S62 PolarHBondContact O-N 3.35Å |
| 59 | A | 94.6 | Very high | 93 | Very high | 64 Ų | 64 | 86.4 Ų | 86.4 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D55 S62 Q63 | D55-A59 WeakPolarHBondContact O-CB 3.14Å; D55-A59 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-N 3.41Å; A59-Q63 WeakPolarHBondContact O-CB 3.13Å; A59-Q63 PolarHBondContact O-N 2.95Å |
| 60 | G | 94.7 | Very high | 92.6 | Very high | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 L57 Q63 F64 | A56-G60 PolarHBondContact O-N 2.72Å; L57-G60 PolarHBondContact O-N 2.72Å; G60-Q63 PolarHBondContact O-N 2.93Å; G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.26Å; G60-F64 PolarHBondContact O-N 2.89Å |
| 61 | A | 94.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 88.2 Ų | 88.2 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L57 Q58 F64 E65 | L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 2.83Å; Q58-A61 PolarHBondContact O-N 2.91Å; A61-F64 CarbonylContact O-C 3.58Å; A61-F64 PolarHBondContact O-N 3.41Å; A61-E65 VanDerWaalsContact O-CB 3.3Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.75Å |
| 62 | S | 92 | Very high | 91.7 | Very high | 69 Ų | 69 | 91 Ų | 91 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | Q58 A59 E65 A66 | Q58-S62 VanDerWaalsContact O-CB 3.31Å; Q58-S62 WeakPolarHBondContact O-CB 3.45Å; Q58-S62 PolarHBondContact O-N 3.35Å; A59-S62 PolarHBondContact O-N 3.41Å; S62-E65 PolarHBondContact O-N 3.3Å; S62-A66 WeakPolarHBondContact O-CB 3.24Å; S62-A66 PolarHBondContact O-N 2.81Å |
| 63 | Q | 92.4 | Very high | 91.5 | Very high | 141 Ų | 141 | 97.6 Ų | 97.6 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 173.6 | -174.9 | 176.4 | 70.3 | 0 | 0 | 111.9 | A59 G60 S67 | A59-Q63 WeakPolarHBondContact O-CB 3.13Å; A59-Q63 PolarHBondContact O-N 2.95Å; G60-Q63 PolarHBondContact O-N 2.93Å; Q63-S67 VanDerWaalsContact O-CB 3.26Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.41Å; Q63-S67 PolarHBondContact O-OG 3.21Å |
| 64 | F | 91.1 | Very high | 91.1 | Very high | 154 Ų | 154 | 97.1 Ų | 97.1 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 175.1 | -179.1 | -98.3 | 0 | 0 | 0 | 111.4 | G60 A61 S67 A68 | G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.26Å; G60-F64 PolarHBondContact O-N 2.89Å; A61-F64 CarbonylContact O-C 3.58Å; A61-F64 PolarHBondContact O-N 3.41Å; F64-S67 PolarHBondContact O-N 2.7Å; F64-A68 HydrophobicContact CD1-CB 4.48Å; F64-A68 HydrophobicContact CE1-CB 4.25Å; F64-A68 WeakPolarHBondContact O-CA 3.32Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.8Å |
| 65 | E | 90.5 | Very high | 90.7 | Very high | 143 Ų | 143 | 100.2 Ų | 100.2 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.6 | -50.3 | 175.8 | -176.6 | -173 | -173.1 | 0 | 0 | 110.8 | A61 S62 S67 A68 G69 | A61-E65 VanDerWaalsContact O-CB 3.3Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.75Å; S62-E65 PolarHBondContact O-N 3.3Å; E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.8Å; E65-G69 PolarHBondContact O-N 2.74Å |
| 66 | A | 89.5 | Confident | 90.5 | Very high | 49 Ų | 49 | 105.1 Ų | 105.1 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S62 K70 | S62-A66 WeakPolarHBondContact O-CB 3.24Å; S62-A66 PolarHBondContact O-N 2.81Å; A66-K70 WeakPolarHBondContact O-CB 3.11Å; A66-K70 WeakPolarHBondContact O-CD 3.34Å; A66-K70 VanDerWaalsContact O-CG 3.24Å; A66-K70 WeakPolarHBondContact O-CG 3.22Å; A66-K70 PolarHBondContact O-N 3.31Å |
| 67 | S | 85.9 | Confident | 90.3 | Very high | 55 Ų | 55 | 111.1 Ų | 111.1 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.7 | -47.5 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | Q63 F64 E65 G69 K70 L71 | Q63-S67 VanDerWaalsContact O-CB 3.26Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.41Å; Q63-S67 PolarHBondContact O-OG 3.21Å; F64-S67 PolarHBondContact O-N 2.7Å; E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 3.32Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.47Å; S67-K70 PolarHBondContact O-N 3.46Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 PolarHBondContact O-N 3.29Å |
| 68 | A | 89.5 | Confident | 90.1 | Very high | 26 Ų | 26 | 110.5 Ų | 110.5 | 22% | 0.215 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F64 E65 L71 K72 | F64-A68 HydrophobicContact CD1-CB 4.48Å; F64-A68 HydrophobicContact CE1-CB 4.25Å; F64-A68 WeakPolarHBondContact O-CA 3.32Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.8Å; E65-A68 PolarHBondContact O-N 2.8Å; A68-L71 PolarHBondContact O-N 2.87Å; A68-K72 WeakPolarHBondContact O-CB 3.29Å; A68-K72 VanDerWaalsContact O-CG 3.29Å; A68-K72 WeakPolarHBondContact O-CG 3.35Å; A68-K72 PolarHBondContact O-N 2.82Å |
| 69 | G | 88 | Confident | 89.9 | Confident | 41 Ų | 41 | 108.6 Ų | 108.6 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E65 S67 K72 R73 | E65-G69 PolarHBondContact O-N 2.74Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.47Å; G69-K72 PolarHBondContact O-N 2.9Å; G69-R73 PolarHBondContact O-N 3.27Å |
| 70 | K | 86.2 | Confident | 89.8 | Confident | 146 Ų | 146 | 109.5 Ų | 109.5 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 175.1 | -72.2 | 172.2 | -173.8 | 174.8 | 0 | 112 | A66 S67 R73 K74 | A66-K70 WeakPolarHBondContact O-CB 3.11Å; A66-K70 WeakPolarHBondContact O-CD 3.34Å; A66-K70 VanDerWaalsContact O-CG 3.24Å; A66-K70 WeakPolarHBondContact O-CG 3.22Å; A66-K70 PolarHBondContact O-N 3.31Å; S67-K70 PolarHBondContact O-N 3.46Å; K70-R73 PolarHBondContact O-N 3.07Å; K70-K74 WeakPolarHBondContact O-CB 3.5Å; K70-K74 PolarHBondContact O-N 3.44Å |
| 71 | L | 84.7 | Confident | 89.8 | Confident | 98 Ų | 98 | 115.3 Ų | 115.3 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -49.7 | 176.5 | -97.8 | 62.6 | 0 | 0 | 0 | 110.8 | S67 A68 R73 K74 F75 | S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 2.87Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.17Å; L71-K74 PolarHBondContact O-N 3.23Å; L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.43Å |
| 72 | K | 86.4 | Confident | 89.7 | Confident | 162 Ų | 162 | 118.9 Ų | 118.9 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -53.1 | -50.9 | 176.2 | -80.4 | -179.2 | 179.8 | -178.1 | 0 | 110.6 | A68 G69 F75 W76 | A68-K72 WeakPolarHBondContact O-CB 3.29Å; A68-K72 VanDerWaalsContact O-CG 3.29Å; A68-K72 WeakPolarHBondContact O-CG 3.35Å; A68-K72 PolarHBondContact O-N 2.82Å; G69-K72 PolarHBondContact O-N 2.9Å; K72-F75 PolarHBondContact O-N 3.07Å; K72-W76 WeakPolarHBondContact O-CB 3.38Å; K72-W76 PolarHBondContact O-N 3.45Å |
| 73 | R | 88.5 | Confident | 89.9 | Confident | 179 Ų | 179 | 121.6 Ų | 121.6 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.4 | -48.9 | 179.1 | -164.6 | 164.7 | 75.6 | -179.4 | 4.9 | 111.6 | G69 K70 L71 F75 W76 W77 | G69-R73 PolarHBondContact O-N 3.27Å; K70-R73 PolarHBondContact O-N 3.07Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.17Å; R73-F75 VanDerWaalsContact C-N 3.34Å; R73-F75 PolarHBondContact O-N 3.24Å; R73-W76 PolarHBondContact O-N 3.36Å; R73-W77 PolarHBondContact O-N 3.36Å; R73-W77 VanDerWaalsContact O-N 3.17Å |
| 74 | K | 87.3 | Confident | 90 | Very high | 149 Ų | 149 | 117.6 Ų | 117.6 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -42.1 | -179.4 | -169.6 | 174.5 | -175.7 | 177.6 | 0 | 112.2 | K70 L71 K78 | K70-K74 WeakPolarHBondContact O-CB 3.5Å; K70-K74 PolarHBondContact O-N 3.44Å; L71-K74 PolarHBondContact O-N 3.23Å; K74-K78 HydrophobicContact CG-CD 4.5Å; K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 VanDerWaalsContact O-CG 3.32Å; K74-K78 WeakPolarHBondContact O-CG 3.39Å; K74-K78 PolarHBondContact O-N 3.45Å; K74-K78 VanDerWaalsContact O-N 3.07Å |
| 75 | F | 87.8 | Confident | 90.3 | Very high | 114 Ų | 114 | 113.8 Ų | 113.8 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.3 | -39.1 | 177.4 | -91.8 | -86.7 | 0 | 0 | 0 | 112.6 | L71 K72 R73 W77 K78 N79 | L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.43Å; K72-F75 PolarHBondContact O-N 3.07Å; R73-F75 VanDerWaalsContact C-N 3.34Å; R73-F75 PolarHBondContact O-N 3.24Å; F75-W77 PolarHBondContact O-N 2.84Å; F75-K78 PolarHBondContact O-N 2.95Å; F75-N79 WeakPolarHBondContact O-CB 3.48Å; F75-N79 VanDerWaalsContact O-CG 3.25Å; F75-N79 PolarHBondContact O-N 3.27Å |
| 76 | W | 89.9 | Confident | 90.5 | Very high | 198 Ų | 198 | 112 Ų | 112 | 75% | 0.75 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -45.9 | 179 | -140.8 | 71 | 0 | 0 | 0 | 111.9 | K72 R73 N79 C80 | K72-W76 WeakPolarHBondContact O-CB 3.38Å; K72-W76 PolarHBondContact O-N 3.45Å; R73-W76 PolarHBondContact O-N 3.36Å; W76-N79 PolarHBondContact O-N 2.97Å; W76-C80 WeakPolarHBondContact O-CB 3.38Å; W76-C80 PolarHBondContact O-N 2.98Å |
| 77 | W | 91.3 | Very high | 90.9 | Very high | 190 Ų | 190 | 111.3 Ų | 111.3 | 72% | 0.72 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.6 | -40.4 | 176.1 | -76.2 | 72.4 | 0 | 0 | 0 | 112.4 | R73 F75 K81 | R73-W77 PolarHBondContact O-N 3.36Å; R73-W77 VanDerWaalsContact O-N 3.17Å; F75-W77 PolarHBondContact O-N 2.84Å; W77-K81 WeakPolarHBondContact O-CB 3.26Å; W77-K81 PolarHBondContact O-N 2.89Å |
| 78 | K | 91.1 | Very high | 91.4 | Very high | 116 Ų | 116 | 112.9 Ų | 112.9 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -46.5 | 174.7 | -77.7 | -177.3 | 70 | 179 | 0 | 111.7 | K74 F75 K81 M82 | K74-K78 HydrophobicContact CG-CD 4.5Å; K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 VanDerWaalsContact O-CG 3.32Å; K74-K78 WeakPolarHBondContact O-CG 3.39Å; K74-K78 PolarHBondContact O-N 3.45Å; K74-K78 VanDerWaalsContact O-N 3.07Å; F75-K78 PolarHBondContact O-N 2.95Å; K78-K81 PolarHBondContact O-N 2.97Å; K78-M82 WeakPolarHBondContact O-CB 3.36Å; K78-M82 VanDerWaalsContact O-CG 3.26Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 3.49Å |
| 79 | N | 92 | Very high | 91.8 | Very high | 101 Ų | 101 | 116.2 Ų | 116.2 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -42.9 | -179.7 | -71.1 | -10.8 | 0 | 0 | 0 | 111.4 | F75 W76 M82 L83 | F75-N79 WeakPolarHBondContact O-CB 3.48Å; F75-N79 VanDerWaalsContact O-CG 3.25Å; F75-N79 PolarHBondContact O-N 3.27Å; W76-N79 PolarHBondContact O-N 2.97Å; N79-M82 PolarHBondContact O-N 3.48Å; N79-L83 WeakPolarHBondContact O-CB 3.35Å; N79-L83 PolarHBondContact O-N 3.38Å |
| 80 | C | 92.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 117.7 Ų | 117.7 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.8 | -46.8 | 175 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | W76 M82 L83 A84 | W76-C80 WeakPolarHBondContact O-CB 3.38Å; W76-C80 PolarHBondContact O-N 2.98Å; C80-M82 PolarHBondContact O-N 3.43Å; C80-L83 PolarHBondContact O-N 3.36Å; C80-A84 PolarHBondContact O-N 2.86Å |
| 81 | K | 94 | Very high | 92.8 | Very high | 157 Ų | 157 | 114.6 Ų | 114.6 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.6 | -41.2 | 176.9 | -172.3 | 179.1 | 170.3 | 89.3 | 0 | 112 | W77 K78 A84 V85 | W77-K81 WeakPolarHBondContact O-CB 3.26Å; W77-K81 PolarHBondContact O-N 2.89Å; K78-K81 PolarHBondContact O-N 2.97Å; K81-A84 PolarHBondContact O-N 3.32Å; K81-V85 VanDerWaalsContact O-CG2 3.29Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.38Å |
| 82 | M | 93.5 | Very high | 93.5 | Very high | 126 Ų | 126 | 114.3 Ų | 114.3 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -41.7 | 176 | -76.7 | -61.1 | -61.4 | 0 | 0 | 112 | K78 N79 C80 V85 L86 | K78-M82 WeakPolarHBondContact O-CB 3.36Å; K78-M82 VanDerWaalsContact O-CG 3.26Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 3.49Å; N79-M82 PolarHBondContact O-N 3.48Å; C80-M82 PolarHBondContact O-N 3.43Å; M82-V85 PolarHBondContact O-N 3.01Å; M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.4Å |
| 83 | L | 95.2 | Very high | 94 | Very high | 125 Ų | 125 | 111.7 Ų | 111.7 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -42.4 | 176.7 | -173.3 | 67.7 | 0 | 0 | 0 | 111.4 | N79 C80 L86 G87 | N79-L83 WeakPolarHBondContact O-CB 3.35Å; N79-L83 PolarHBondContact O-N 3.38Å; C80-L83 PolarHBondContact O-N 3.36Å; L83-L86 PolarHBondContact O-N 2.91Å; L83-G87 PolarHBondContact O-N 3.36Å |
| 84 | A | 96.2 | Very high | 94.5 | Very high | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | C80 K81 L86 G87 V88 | C80-A84 PolarHBondContact O-N 2.86Å; K81-A84 PolarHBondContact O-N 3.32Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 2.97Å; A84-G87 PolarHBondContact O-N 2.94Å; A84-V88 WeakPolarHBondContact O-CG2 3.3Å; A84-V88 PolarHBondContact O-N 3.47Å |
| 85 | V | 96 | Very high | 95 | Very high | 74 Ų | 74 | 104.8 Ų | 104.8 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | K81 M82 V88 L89 | K81-V85 VanDerWaalsContact O-CG2 3.29Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.38Å; M82-V85 PolarHBondContact O-N 3.01Å; V85-V88 PolarHBondContact O-N 2.98Å; V85-L89 HydrophobicContact CG1-CD1 4.3Å; V85-L89 PolarHBondContact O-N 3.39Å |
| 86 | L | 95.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.5 | -178.3 | 63.8 | 0 | 0 | 0 | 111.5 | M82 L83 A84 V88 L89 V90 | M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.4Å; L83-L86 PolarHBondContact O-N 2.91Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 2.97Å; L86-V88 PolarHBondContact O-N 3.26Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.06Å; L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.26Å |
| 87 | G | 96.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 99.2 Ų | 99.2 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L83 A84 L89 V90 V91 | L83-G87 PolarHBondContact O-N 3.36Å; A84-G87 PolarHBondContact O-N 2.94Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3.49Å; G87-V90 PolarHBondContact O-N 2.98Å; G87-V91 WeakPolarHBondContact O-CG2 3.34Å; G87-V91 PolarHBondContact O-N 3.27Å |
| 88 | V | 97.8 | Very high | 96 | Very high | 88 Ų | 88 | 94.9 Ų | 94.9 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | A84 V85 L86 V90 V91 I92 | A84-V88 WeakPolarHBondContact O-CG2 3.3Å; A84-V88 PolarHBondContact O-N 3.47Å; V85-V88 PolarHBondContact O-N 2.98Å; L86-V88 PolarHBondContact O-N 3.26Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V88-V90 PolarHBondContact O-N 2.95Å; V88-V91 PolarHBondContact O-N 3.45Å; V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.03Å |
| 89 | L | 97.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 175.4 | -103.4 | 153.6 | 0 | 0 | 0 | 112.1 | V85 L86 G87 I92 L93 | V85-L89 HydrophobicContact CG1-CD1 4.3Å; V85-L89 PolarHBondContact O-N 3.39Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.06Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.28Å |
| 90 | V | 97.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L86 G87 V88 I92 L93 I94 | L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.26Å; G87-V90 PolarHBondContact O-N 2.98Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V88-V90 PolarHBondContact O-N 2.95Å; V90-I92 PolarHBondContact O-N 2.97Å; V90-L93 PolarHBondContact O-N 2.94Å; V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.44Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 3.48Å |
| 91 | V | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | G87 V88 L93 I94 I95 | G87-V91 WeakPolarHBondContact O-CG2 3.34Å; G87-V91 PolarHBondContact O-N 3.27Å; V88-V91 PolarHBondContact O-N 3.45Å; V91-L93 PolarHBondContact O-N 2.95Å; V91-I94 PolarHBondContact O-N 3.26Å; V91-I95 HydrophobicContact CG1-CD1 3.85Å; V91-I95 HydrophobicContact CG1-CG1 4.46Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.25Å |
| 92 | I | 98.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 94 Ų | 94 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.4 | -68.3 | 165.7 | 0 | 0 | 0 | 110.6 | V88 L89 V90 I94 I95 V96 | V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.03Å; L89-I92 PolarHBondContact O-N 3.37Å; V90-I92 PolarHBondContact O-N 2.97Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.42Å; I92-I95 PolarHBondContact O-N 3.46Å; I92-V96 WeakPolarHBondContact O-CG2 3.32Å; I92-V96 PolarHBondContact O-N 3.26Å |
| 93 | L | 97.7 | Very high | 96.6 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 177.2 | -70.1 | 176 | 0 | 0 | 0 | 111.9 | L89 V90 V91 V96 L97 | L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.28Å; V90-L93 PolarHBondContact O-N 2.94Å; V91-L93 PolarHBondContact O-N 2.95Å; L93-V96 PolarHBondContact O-N 2.97Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.4Å |
| 94 | I | 98 | Very high | 96.5 | Very high | 88 Ų | 88 | 88.7 Ų | 88.7 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.4 | -69.3 | 168.6 | 0 | 0 | 0 | 111 | V90 V91 I92 V96 L97 I98 | V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.44Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 3.48Å; V91-I94 PolarHBondContact O-N 3.26Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.42Å; I94-V96 PolarHBondContact O-N 2.93Å; I94-L97 PolarHBondContact O-N 3.27Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.39Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.47Å |
| 95 | I | 97.7 | Very high | 96.1 | Very high | 96 Ų | 96 | 91.6 Ų | 91.6 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 178 | -68.7 | 166.8 | 0 | 0 | 0 | 110.7 | V91 I92 L97 I98 V99 | V91-I95 HydrophobicContact CG1-CD1 3.85Å; V91-I95 HydrophobicContact CG1-CG1 4.46Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.25Å; I92-I95 PolarHBondContact O-N 3.46Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.96Å; I95-I98 PolarHBondContact O-N 3.26Å; I95-V99 HydrophobicContact CG2-CG2 4.47Å; I95-V99 WeakPolarHBondContact O-CG2 3.32Å; I95-V99 PolarHBondContact O-N 3.46Å |
| 96 | V | 97.3 | Very high | 95.7 | Very high | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | I92 L93 I94 V99 W100 | I92-V96 WeakPolarHBondContact O-CG2 3.32Å; I92-V96 PolarHBondContact O-N 3.26Å; L93-V96 PolarHBondContact O-N 2.97Å; I94-V96 PolarHBondContact O-N 2.93Å; V96-V99 PolarHBondContact O-N 3.03Å; V96-W100 WeakPolarHBondContact O-CB 3.37Å; V96-W100 PolarHBondContact O-N 3.42Å |
| 97 | L | 96.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176 | -73.8 | 178.4 | 0 | 0 | 0 | 112.2 | L93 I94 I95 W100 V101 | L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.4Å; I94-L97 PolarHBondContact O-N 3.27Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.96Å; L97-W100 PolarHBondContact O-N 3.41Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.31Å; L97-V101 PolarHBondContact O-N 2.97Å |
| 98 | I | 96.7 | Very high | 94.6 | Very high | 98 Ų | 98 | 96.9 Ų | 96.9 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 177.8 | -68.2 | 166.2 | 0 | 0 | 0 | 110.6 | I94 I95 W100 V101 V102 | I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.39Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.47Å; I95-I98 PolarHBondContact O-N 3.26Å; I98-W100 PolarHBondContact O-N 3.48Å; I98-V101 PolarHBondContact O-N 3.1Å; I98-V102 HydrophobicContact CG2-CG2 4.38Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 VanDerWaalsContact O-CG2 3.32Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.46Å |
| 99 | V | 96.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 96.9 Ų | 96.9 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I95 V96 V101 V102 S103 | I95-V99 HydrophobicContact CG2-CG2 4.47Å; I95-V99 WeakPolarHBondContact O-CG2 3.32Å; I95-V99 PolarHBondContact O-N 3.46Å; V96-V99 PolarHBondContact O-N 3.03Å; V99-V101 PolarHBondContact O-N 2.89Å; V99-V102 PolarHBondContact O-N 3.48Å; V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.39Å; V99-S103 PolarHBondContact O-OG 3.05Å; V99-S103 VanDerWaalsContact O-OG 3.1Å |
| 100 | W | 96.1 | Very high | 92.8 | Very high | 177 Ų | 177 | 96.6 Ų | 96.6 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 179.4 | -173.4 | 55.8 | 0 | 0 | 0 | 112.4 | V96 L97 I98 S103 E104 | V96-W100 WeakPolarHBondContact O-CB 3.37Å; V96-W100 PolarHBondContact O-N 3.42Å; L97-W100 PolarHBondContact O-N 3.41Å; I98-W100 PolarHBondContact O-N 3.48Å; W100-S103 PolarHBondContact O-N 3.12Å; W100-E104 WeakPolarHBondContact O-CB 3.49Å; W100-E104 PolarHBondContact O-N 3.47Å |
| 101 | V | 95.5 | Very high | 91.7 | Very high | 85 Ų | 85 | 100.4 Ų | 100.4 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L97 I98 V99 Q105 | L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.31Å; L97-V101 PolarHBondContact O-N 2.97Å; I98-V101 PolarHBondContact O-N 3.1Å; V99-V101 PolarHBondContact O-N 2.89Å; V101-Q105 WeakPolarHBondContact O-CG 3.12Å; V101-Q105 PolarHBondContact O-N 3.41Å |
| 102 | V | 94.9 | Very high | 90.3 | Very high | 94 Ų | 94 | 100.3 Ų | 100.3 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 179 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | I98 V99 Q105 K106 | I98-V102 HydrophobicContact CG2-CG2 4.38Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 VanDerWaalsContact O-CG2 3.32Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.46Å; V99-V102 PolarHBondContact O-N 3.48Å; V102-Q105 PolarHBondContact O-N 3.33Å; V102-K106 PolarHBondContact O-N 2.97Å; V102-K106 VanDerWaalsContact O-N 3.1Å |
| 103 | S | 93.6 | Very high | 89 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.8 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | V99 W100 Q105 K106 N107 | V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.39Å; V99-S103 PolarHBondContact O-OG 3.05Å; V99-S103 VanDerWaalsContact O-OG 3.1Å; W100-S103 PolarHBondContact O-N 3.12Å; S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.48Å; S103-K106 PolarHBondContact O-N 3.09Å; S103-N107 PolarHBondContact O-N 3.22Å; S103-N107 VanDerWaalsContact O-N 3.09Å; S103-N107 PolarHBondContact O-ND2 3.08Å; S103-N107 VanDerWaalsContact O-ND2 3.12Å |
| 104 | E | 91.3 | Very high | 87.5 | Confident | 80 Ų | 80 | 104.5 Ų | 104.5 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.2 | -176.2 | 60.4 | -159.7 | 0 | 0 | 112 | W100 N107 K108 | W100-E104 WeakPolarHBondContact O-CB 3.49Å; W100-E104 PolarHBondContact O-N 3.47Å; E104-N107 PolarHBondContact O-N 3.37Å; E104-K108 PolarHBondContact O-N 3.1Å; E104-K108 WeakPolarHBondContact OE1-CE 3.38Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.3Å |
| 105 | Q | 88.7 | Confident | 86.1 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | 176.2 | -66.6 | -70.3 | 79.9 | 0 | 0 | 112.1 | V101 V102 S103 K108 V109 | V101-Q105 WeakPolarHBondContact O-CG 3.12Å; V101-Q105 PolarHBondContact O-N 3.41Å; V102-Q105 PolarHBondContact O-N 3.33Å; S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.48Å; Q105-K108 PolarHBondContact O-N 3.2Å; Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.14Å |
| 106 | K | 87.4 | Confident | 84.6 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 54% | 0.543 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.6 | -170.8 | -175.2 | 171 | -163.7 | 0 | 111.8 | V102 S103 K108 V109 E110 | V102-K106 PolarHBondContact O-N 2.97Å; V102-K106 VanDerWaalsContact O-N 3.1Å; S103-K106 PolarHBondContact O-N 3.09Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.29Å; K106-V109 PolarHBondContact O-N 3.26Å; K106-V109 VanDerWaalsContact O-N 3.14Å; K106-E110 WeakPolarHBondContact CE-OE1 3.33Å; K106-E110 IonicContact NZ-OE1 3.47Å; K106-E110 PolarHBondContact NZ-OE1 3.46Å; K106-E110 PolarHBondContact O-N 3.13Å |
| 107 | N | 86.7 | Confident | 82.8 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59 | -37 | 179.6 | -69.1 | -39.4 | 0 | 0 | 0 | 112.5 | S103 E104 Q111 | S103-N107 PolarHBondContact O-N 3.22Å; S103-N107 VanDerWaalsContact O-N 3.09Å; S103-N107 PolarHBondContact O-ND2 3.08Å; S103-N107 VanDerWaalsContact O-ND2 3.12Å; E104-N107 PolarHBondContact O-N 3.37Å; N107-Q111 PolarHBondContact O-N 2.72Å |
| 108 | K | 83.1 | Confident | 81.2 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 48% | 0.478 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -33.1 | 178 | -66.5 | -174 | -160.9 | -53.6 | 0 | 113.2 | E104 Q105 K106 S112 | E104-K108 PolarHBondContact O-N 3.1Å; E104-K108 WeakPolarHBondContact OE1-CE 3.38Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.3Å; Q105-K108 PolarHBondContact O-N 3.2Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.29Å; K108-S112 PolarHBondContact O-N 3.46Å |
| 109 | V | 79.8 | Confident | 79.6 | Confident | 88 Ų | 88 | 107.5 Ų | 107.5 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.4 | -46.2 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | Q105 K106 Q111 S112 E113 | Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.14Å; K106-V109 PolarHBondContact O-N 3.26Å; K106-V109 VanDerWaalsContact O-N 3.14Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.43Å; V109-S112 PolarHBondContact O-N 3.36Å; V109-S112 VanDerWaalsContact O-N 3.13Å; V109-E113 PolarHBondContact O-N 3.08Å; V109-E113 VanDerWaalsContact O-N 3.08Å |
| 110 | E | 77.6 | Confident | 78.4 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 43% | 0.425 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -34.4 | 179.5 | -69.9 | 175.9 | 146.2 | 0 | 0 | 111.8 | K106 H114 | K106-E110 WeakPolarHBondContact CE-OE1 3.33Å; K106-E110 IonicContact NZ-OE1 3.47Å; K106-E110 PolarHBondContact NZ-OE1 3.46Å; K106-E110 PolarHBondContact O-N 3.13Å; E110-H114 WeakPolarHBondContact O-CB 3.49Å; E110-H114 PolarHBondContact O-N 3.31Å; E110-H114 VanDerWaalsContact O-N 3.08Å |
| 111 | Q | 73.7 | Confident | 77.1 | Confident | 152 Ų | 152 | 105.9 Ų | 105.9 | 71% | 0.71 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.7 | -34.4 | 176.4 | -168.6 | 163.9 | -1.7 | 0 | 0 | 113.1 | N107 V109 S115 | N107-Q111 PolarHBondContact O-N 2.72Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.43Å; Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.33Å; Q111-S115 VanDerWaalsContact O-N 3.15Å |
| 112 | S | 69.9 | Low | 75.9 | Confident | 79 Ų | 79 | 106.9 Ų | 106.9 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.9 | -44.2 | 173.8 | -80.7 | 0 | 0 | 0 | 0 | 111.9 | K108 V109 S115 S116 | K108-S112 PolarHBondContact O-N 3.46Å; V109-S112 PolarHBondContact O-N 3.36Å; V109-S112 VanDerWaalsContact O-N 3.13Å; S112-S115 PolarHBondContact O-N 3.21Å; S112-S116 PolarHBondContact O-N 3.46Å; S112-S116 PolarHBondContact O-OG 3.36Å |
| 113 | E | 70.9 | Confident | 75 | Confident | 136 Ų | 136 | 107.1 Ų | 107.1 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -41.5 | 178.3 | -74.1 | -172.3 | 130.2 | 0 | 0 | 112 | V109 S115 S116 H117 | V109-E113 PolarHBondContact O-N 3.08Å; V109-E113 VanDerWaalsContact O-N 3.08Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.04Å; E113-S116 PolarHBondContact O-N 3.15Å; E113-H117 PolarHBondContact O-N 3.49Å; E113-H117 VanDerWaalsContact O-N 3.11Å |
| 114 | H | 66.3 | Low | 73.9 | Confident | 151 Ų | 151 | 107.1 Ų | 107.1 | 70% | 0.699 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -39.1 | 177.5 | -168.5 | 64.5 | 0 | 0 | 0 | 112.3 | E110 H117 H118 | E110-H114 WeakPolarHBondContact O-CB 3.49Å; E110-H114 PolarHBondContact O-N 3.31Å; E110-H114 VanDerWaalsContact O-N 3.08Å; H114-H117 PolarHBondContact O-N 3.32Å; H114-H118 PolarHBondContact O-N 3.11Å |
| 115 | S | 68.6 | Low | 72.6 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -35.6 | 177.1 | -165.9 | 0 | 0 | 0 | 0 | 112.6 | Q111 S112 E113 L119 | Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.33Å; Q111-S115 VanDerWaalsContact O-N 3.15Å; S112-S115 PolarHBondContact O-N 3.21Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.04Å; S115-L119 PolarHBondContact O-N 3.29Å |
| 116 | S | 64.8 | Low | 71.3 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 53% | 0.531 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 176.5 | -65 | 0 | 0 | 0 | 0 | 112.3 | S112 E113 H118 L119 V120 | S112-S116 PolarHBondContact O-N 3.46Å; S112-S116 PolarHBondContact O-OG 3.36Å; E113-S116 PolarHBondContact O-N 3.15Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.17Å; S116-L119 PolarHBondContact O-N 3.42Å; S116-L119 VanDerWaalsContact O-N 3.17Å; S116-V120 PolarHBondContact O-N 3.22Å |
| 117 | H | 61 | Low | 70.2 | Confident | 137 Ų | 137 | 105.6 Ų | 105.6 | 63% | 0.634 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -31.1 | -178.5 | -136.9 | -77.9 | 0 | 0 | 0 | 112.5 | E113 H114 | E113-H117 PolarHBondContact O-N 3.49Å; E113-H117 VanDerWaalsContact O-N 3.11Å; H114-H117 PolarHBondContact O-N 3.32Å |
| 118 | H | 62.8 | Low | 69.4 | Low | 136 Ų | 136 | 108.2 Ų | 108.2 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.7 | -36.3 | 171.8 | -176.9 | -85.5 | 0 | 0 | 0 | 112.3 | H114 S116 D122 | H114-H118 PolarHBondContact O-N 3.11Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.17Å; H118-D122 PolarHBondContact O-N 3.31Å |
| 119 | L | 63.5 | Low | 68.6 | Low | 117 Ų | 117 | 107.1 Ų | 107.1 | 61% | 0.613 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.5 | -32.1 | -175 | -140.4 | 140.8 | 0 | 0 | 0 | 113.4 | S115 S116 N123 | S115-L119 PolarHBondContact O-N 3.29Å; S116-L119 PolarHBondContact O-N 3.42Å; S116-L119 VanDerWaalsContact O-N 3.17Å; L119-N123 PolarHBondContact O-N 3.5Å; L119-N123 VanDerWaalsContact O-N 3.15Å |
| 120 | V | 70.5 | Confident | 68.1 | Low | 96 Ų | 96 | 110.2 Ų | 110.2 | 58% | 0.582 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.9 | -35 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 112 | S116 S124 | S116-V120 PolarHBondContact O-N 3.22Å; V120-S124 WeakPolarHBondContact O-CB 3.49Å; V120-S124 PolarHBondContact O-N 2.82Å; V120-S124 PolarHBondContact O-OG 3.23Å |
| 121 | M | 67.9 | Low | 67.3 | Low | 129 Ų | 129 | 117 Ų | 117 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.3 | -38.5 | 176.4 | -75.5 | -67.8 | 176.6 | 0 | 0 | 111.6 | S124 S125 | M121-S124 PolarHBondContact O-N 2.88Å; M121-S125 PolarHBondContact O-N 3.4Å; M121-S125 PolarHBondContact O-OG 3.41Å |
| 122 | D | 71.2 | Confident | 66.9 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 57% | 0.572 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.3 | -34.3 | 179.2 | -159 | 45.3 | 0 | 0 | 0 | 113.1 | H118 S125 H126 | H118-D122 PolarHBondContact O-N 3.31Å; D122-S125 PolarHBondContact O-OG 3.34Å; D122-H126 PolarHBondContact O-N 3.15Å |
| 123 | N | 75.5 | Confident | 66.8 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 53% | 0.529 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.6 | -29.7 | 175.7 | -168.5 | 72.4 | 0 | 0 | 0 | 112.9 | L119 L127 | L119-N123 PolarHBondContact O-N 3.5Å; L119-N123 VanDerWaalsContact O-N 3.15Å; N123-L127 PolarHBondContact O-N 3.5Å |
| 124 | S | 70 | Confident | 66.6 | Low | 59 Ų | 59 | 116.1 Ų | 116.1 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.2 | -34.1 | -179.2 | -58 | 0 | 0 | 0 | 0 | 112.5 | V120 M121 H126 L128 | V120-S124 WeakPolarHBondContact O-CB 3.49Å; V120-S124 PolarHBondContact O-N 2.82Å; V120-S124 PolarHBondContact O-OG 3.23Å; M121-S124 PolarHBondContact O-N 2.88Å; S124-H126 VanDerWaalsContact C-N 3.33Å; S124-L128 PolarHBondContact O-N 3.3Å |
| 125 | S | 64.6 | Low | 66.6 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 47% | 0.469 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.2 | -37.2 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | M121 D122 L128 | M121-S125 PolarHBondContact O-N 3.4Å; M121-S125 PolarHBondContact O-OG 3.41Å; D122-S125 PolarHBondContact O-OG 3.34Å; S125-L128 PolarHBondContact O-N 3.45Å |
| 126 | H | 62.2 | Low | 66.5 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.4 | -35.3 | 178 | -165.2 | -79.6 | 0 | 0 | 0 | 113.3 | D122 S124 S129 | D122-H126 PolarHBondContact O-N 3.15Å; S124-H126 VanDerWaalsContact C-N 3.33Å; H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.47Å |
| 127 | L | 64.7 | Low | 66.6 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73 | -27 | 177.9 | -81.1 | -179.3 | 0 | 0 | 0 | 114 | N123 S129 | N123-L127 PolarHBondContact O-N 3.5Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.49Å |
| 128 | L | 68.5 | Low | 67 | Low | 143 Ų | 143 | 118 Ų | 118 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.6 | -13.1 | 176.7 | -71.4 | 174.4 | 0 | 0 | 0 | 113.4 | S124 S125 | S124-L128 PolarHBondContact O-N 3.3Å; S125-L128 PolarHBondContact O-N 3.45Å |
| 129 | S | 67.6 | Low | 67.3 | Low | 87 Ų | 87 | 116.6 Ų | 116.6 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -8.2 | 177.7 | 49.3 | 0 | 0 | 0 | 0 | 115.4 | H126 L127 | H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.47Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.49Å |
| 130 | E | 68.1 | Low | 67.6 | Low | 152 Ų | 152 | 116.6 Ų | 116.6 | 71% | 0.71 | 62% | 0.623 | S | S | * | * | trans | -98.1 | -4 | 178.1 | -88.4 | -150.9 | 111.8 | 0 | 0 | 114.7 | ||||
| 131 | Q | 60.4 | Low | 67.3 | Low | 234 Ų | 234 | 118.5 Ų | 118.5 | 100% | 1.093 | 63% | 0.626 | S | S | * | * | trans | -97 | 0 | 171 | -67 | -71.8 | -71.8 | 0 | 0 | 110.2 |
Retrieved 131 of 131 residues in 48.8 ms
(Link to these results)