| 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 | 45.5 | Very low | 62 | Low | 213 Ų | 213 | 117.1 Ų | 117.1 | 100% | 1.049 | 62% | 0.617 | S | S | * | * | 0 | 70.6 | 0 | -169.7 | 176.3 | 56.6 | 0 | 0 | 109.3 | |||||
| 2 | I | 52.9 | Low | 63.4 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 87% | 0.867 | 62% | 0.62 | S | S | * | * | trans | -134.1 | 66.1 | -179.2 | -53.2 | 172.7 | 0 | 0 | 0 | 108.3 | ||||
| 3 | I | 54.1 | Low | 64.6 | Low | 42 Ų | 42 | 113.8 Ų | 113.8 | 22% | 0.215 | 60% | 0.602 | C | S | . | * | trans | -135.8 | -1.7 | 170.1 | -45.6 | 169.4 | 0 | 0 | 0 | 111.2 | N5 A6 I18 | I3-N5 PolarHBondContact O-N 3.14Å; I3-N5 VanDerWaalsContact O-N 3.07Å; I3-A6 HydrophobicContact CG2-CB 3.62Å; I3-A6 WeakPolarHBondContact O-CB 3.31Å; I3-A6 PolarHBondContact O-N 3.5Å; I3-I18 HydrophobicContact CD1-CD1 3.34Å; I3-I18 HydrophobicContact CD1-CG1 4.41Å; I3-I18 HydrophobicContact CG1-CD1 3.66Å; I3-I18 HydrophobicContact CG2-CD1 4.42Å | ||
| 4 | Q | 57.8 | Low | 65.9 | Low | 161 Ų | 161 | 110.9 Ų | 110.9 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -22.1 | -176.1 | -72 | -176.2 | -13.1 | 0 | 0 | 114.4 | ||
| 5 | N | 64.4 | Low | 67.1 | Low | 166 Ų | 166 | 107.8 Ų | 107.8 | 89% | 0.888 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 17.3 | 178.6 | -63.7 | -18.1 | 0 | 0 | 0 | 112.8 | I3 | I3-N5 PolarHBondContact O-N 3.14Å; I3-N5 VanDerWaalsContact O-N 3.07Å |
| 6 | A | 60.1 | Low | 68.3 | Low | 24 Ų | 24 | 107.9 Ų | 107.9 | 20% | 0.198 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -77.9 | 142.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I3 L10 | I3-A6 HydrophobicContact CG2-CB 3.62Å; I3-A6 WeakPolarHBondContact O-CB 3.31Å; I3-A6 PolarHBondContact O-N 3.5Å; A6-L10 HydrophobicContact CB-CB 3.62Å; A6-L10 HydrophobicContact CB-CD1 3.95Å; A6-L10 HydrophobicContact CB-CG 4.44Å |
| 7 | P | 69 | Low | 69.5 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | trans | -48.5 | 148.3 | 173.4 | 14.7 | -29.3 | 0 | 0 | 0 | 111.6 | D9 L10 | P7-D9 PolarHBondContact O-N 3.04Å; P7-L10 HydrophobicContact CG-CD1 3.83Å; P7-L10 HydrophobicContact CG-CG 4.25Å; P7-L10 WeakPolarHBondContact O-CA 3.26Å; P7-L10 WeakPolarHBondContact O-CB 3.31Å; P7-L10 PolarHBondContact O-N 2.87Å | ||
| 8 | N | 70.3 | Confident | 70.4 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -49 | -33.2 | -171.5 | -77.5 | -14.7 | 0 | 0 | 0 | 114.1 | L10 L11 | N8-L10 PolarHBondContact O-N 3.45Å; N8-L11 WeakPolarHBondContact O-CB 3.13Å; N8-L11 PolarHBondContact O-N 3.04Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.33Å |
| 9 | D | 71.5 | Confident | 71.4 | Confident | 134 Ų | 134 | 102.4 Ų | 102.4 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.7 | -33.2 | 176.9 | -56 | -29 | 0 | 0 | 0 | 112.6 | P7 S12 Y13 | P7-D9 PolarHBondContact O-N 3.04Å; D9-S12 PolarHBondContact O-OG 3.36Å; D9-Y13 WeakPolarHBondContact O-CD2 3.21Å; D9-Y13 VanDerWaalsContact O-CE2 3.24Å; D9-Y13 WeakPolarHBondContact O-CE2 3.32Å |
| 10 | L | 66.6 | Low | 72.5 | Confident | 64 Ų | 64 | 104 Ų | 104 | 34% | 0.335 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -84.3 | -17.4 | 179.9 | -67.8 | 177.4 | 0 | 0 | 0 | 113.8 | A6 P7 N8 S12 Y13 | A6-L10 HydrophobicContact CB-CB 3.62Å; A6-L10 HydrophobicContact CB-CD1 3.95Å; A6-L10 HydrophobicContact CB-CG 4.44Å; P7-L10 HydrophobicContact CG-CD1 3.83Å; P7-L10 HydrophobicContact CG-CG 4.25Å; P7-L10 WeakPolarHBondContact O-CA 3.26Å; P7-L10 WeakPolarHBondContact O-CB 3.31Å; P7-L10 PolarHBondContact O-N 2.87Å; N8-L10 PolarHBondContact O-N 3.45Å; L10-S12 PolarHBondContact O-N 3.29Å; L10-Y13 HydrophobicContact CD2-CD2 4.17Å; L10-Y13 HydrophobicContact CD2-CE2 4.36Å; L10-Y13 WeakPolarHBondContact O-CB 3.15Å; L10-Y13 PolarHBondContact O-N 3.44Å |
| 11 | L | 69.7 | Low | 73.4 | Confident | 96 Ų | 96 | 103.2 Ų | 103.2 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -24.1 | 179.2 | -67.4 | 174.5 | 0 | 0 | 0 | 112.5 | N8 Y13 | N8-L11 WeakPolarHBondContact O-CB 3.13Å; N8-L11 PolarHBondContact O-N 3.04Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.33Å; L11-Y13 VanDerWaalsContact C-N 3.29Å |
| 12 | S | 78.4 | Confident | 75.6 | Confident | 93 Ų | 93 | 96.7 Ų | 96.7 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.2 | 175.6 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | D9 L10 | D9-S12 PolarHBondContact O-OG 3.36Å; L10-S12 PolarHBondContact O-N 3.29Å |
| 13 | Y | 79.1 | Confident | 77.6 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 38% | 0.384 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -86.2 | 126.7 | -176.9 | -70.5 | -100 | 0 | 0 | 0 | 110 | D9 L10 L11 D17 M21 | D9-Y13 WeakPolarHBondContact O-CD2 3.21Å; D9-Y13 VanDerWaalsContact O-CE2 3.24Å; D9-Y13 WeakPolarHBondContact O-CE2 3.32Å; L10-Y13 HydrophobicContact CD2-CD2 4.17Å; L10-Y13 HydrophobicContact CD2-CE2 4.36Å; L10-Y13 WeakPolarHBondContact O-CB 3.15Å; L10-Y13 PolarHBondContact O-N 3.44Å; L11-Y13 VanDerWaalsContact C-N 3.29Å; Y13-D17 HydrophobicContact CD1-CB 3.73Å; Y13-D17 HydrophobicContact CG-CB 4.42Å; Y13-M21 HydrophobicContact CD1-SD 4.08Å; Y13-M21 HydrophobicContact CE1-SD 4.03Å |
| 14 | T | 82.7 | Confident | 79.5 | Confident | 73 Ų | 73 | 96.8 Ų | 96.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | trans | -71.1 | 160.9 | 172.2 | 68.3 | 0 | 0 | 0 | 0 | 110 | N16 D17 I18 | T14-N16 PolarHBondContact O-N 2.9Å; T14-N16 VanDerWaalsContact O-N 3.11Å; T14-N16 PolarHBondContact OG1-N 3.32Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.27Å; T14-D17 PolarHBondContact O-N 3.49Å; T14-D17 PolarHBondContact OG1-N 2.65Å; T14-D17 PolarHBondContact OG1-OD2 3.49Å; T14-I18 PolarHBondContact O-N 2.86Å; T14-I18 VanDerWaalsContact O-N 3.15Å | ||
| 15 | S | 84 | Confident | 81.1 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -53.7 | -34.1 | 172.2 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | I18 F19 | S15-I18 PolarHBondContact O-N 2.86Å; S15-F19 WeakPolarHBondContact O-CD2 3.38Å; S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact OG-CE2 3.24Å; S15-F19 WeakPolarHBondContact OG-CE2 3.36Å |
| 16 | N | 87.5 | Confident | 82.6 | Confident | 110 Ų | 110 | 91.2 Ų | 91.2 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 176.5 | -70.5 | -18.3 | 0 | 0 | 0 | 112.2 | T14 F19 K20 | T14-N16 PolarHBondContact O-N 2.9Å; T14-N16 VanDerWaalsContact O-N 3.11Å; T14-N16 PolarHBondContact OG1-N 3.32Å; N16-F19 PolarHBondContact O-N 3.05Å; N16-K20 VanDerWaalsContact O-CG 3.27Å; N16-K20 WeakPolarHBondContact O-CG 3.48Å; N16-K20 PolarHBondContact O-N 2.84Å |
| 17 | D | 87.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 94.4 Ų | 94.4 | 26% | 0.262 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.3 | -55.6 | -46.1 | 0 | 0 | 0 | 111 | Y13 T14 K20 M21 | Y13-D17 HydrophobicContact CD1-CB 3.73Å; Y13-D17 HydrophobicContact CG-CB 4.42Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 PolarHBondContact N-OD2 3.27Å; T14-D17 PolarHBondContact O-N 3.49Å; T14-D17 PolarHBondContact OG1-N 2.65Å; T14-D17 PolarHBondContact OG1-OD2 3.49Å; D17-K20 WeakPolarHBondContact O-CB 3.32Å; D17-K20 PolarHBondContact O-N 3.37Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.42Å; D17-M21 PolarHBondContact O-N 2.94Å |
| 18 | I | 86.4 | Confident | 85.2 | Confident | 48 Ų | 48 | 93 Ų | 93 | 25% | 0.246 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 173.7 | -61.5 | -174.7 | 0 | 0 | 0 | 111 | I3 T14 S15 K20 M21 I22 | I3-I18 HydrophobicContact CD1-CD1 3.34Å; I3-I18 HydrophobicContact CD1-CG1 4.41Å; I3-I18 HydrophobicContact CG1-CD1 3.66Å; I3-I18 HydrophobicContact CG2-CD1 4.42Å; T14-I18 PolarHBondContact O-N 2.86Å; T14-I18 VanDerWaalsContact O-N 3.15Å; S15-I18 PolarHBondContact O-N 2.86Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.05Å; I18-M21 PolarHBondContact O-N 2.74Å; I18-M21 VanDerWaalsContact O-N 3.16Å; I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 3.29Å |
| 19 | F | 89.3 | Confident | 86.1 | Confident | 122 Ų | 122 | 92.3 Ų | 92.3 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.2 | -80.4 | -61.6 | 0 | 0 | 0 | 111.3 | S15 N16 M21 I22 E23 | S15-F19 WeakPolarHBondContact O-CD2 3.38Å; S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact OG-CE2 3.24Å; S15-F19 WeakPolarHBondContact OG-CE2 3.36Å; N16-F19 PolarHBondContact O-N 3.05Å; F19-M21 PolarHBondContact O-N 3.37Å; F19-I22 PolarHBondContact O-N 2.79Å; F19-E23 WeakPolarHBondContact O-CG 3.33Å; F19-E23 PolarHBondContact O-N 3.36Å |
| 20 | K | 92.4 | Very high | 87.1 | Confident | 133 Ų | 133 | 91.3 Ų | 91.3 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 173.8 | -73 | 170.3 | -175.7 | 172.9 | 0 | 112.2 | N16 D17 I18 I22 E23 L24 | N16-K20 VanDerWaalsContact O-CG 3.27Å; N16-K20 WeakPolarHBondContact O-CG 3.48Å; N16-K20 PolarHBondContact O-N 2.84Å; D17-K20 WeakPolarHBondContact O-CB 3.32Å; D17-K20 PolarHBondContact O-N 3.37Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.05Å; K20-I22 PolarHBondContact O-N 2.93Å; K20-E23 PolarHBondContact O-N 3.14Å; K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.45Å |
| 21 | M | 91.4 | Very high | 88.2 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.7 | -70.6 | 175 | 78.7 | 0 | 0 | 111.9 | Y13 D17 I18 F19 E23 L24 V25 | Y13-M21 HydrophobicContact CD1-SD 4.08Å; Y13-M21 HydrophobicContact CE1-SD 4.03Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.42Å; D17-M21 PolarHBondContact O-N 2.94Å; I18-M21 PolarHBondContact O-N 2.74Å; I18-M21 VanDerWaalsContact O-N 3.16Å; F19-M21 PolarHBondContact O-N 3.37Å; M21-E23 VanDerWaalsContact C-N 3.34Å; M21-E23 PolarHBondContact O-N 2.95Å; M21-L24 PolarHBondContact O-N 3.48Å; M21-V25 WeakPolarHBondContact O-CG2 3.38Å; M21-V25 PolarHBondContact O-N 3.35Å |
| 22 | I | 92.1 | Very high | 89.2 | Confident | 76 Ų | 76 | 94 Ų | 94 | 39% | 0.39 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.2 | -69.9 | 169.8 | 0 | 0 | 0 | 110.4 | I18 F19 K20 V25 K26 | I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 3.29Å; F19-I22 PolarHBondContact O-N 2.79Å; K20-I22 PolarHBondContact O-N 2.93Å; I22-V25 PolarHBondContact O-N 2.87Å; I22-K26 HydrophobicContact CG2-CD 4.3Å; I22-K26 HydrophobicContact CG2-CG 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.12Å |
| 23 | E | 94.8 | Very high | 89.9 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 177.8 | -69.2 | -55.1 | 120.3 | 0 | 0 | 111.8 | F19 K20 M21 V25 K26 E27 | F19-E23 WeakPolarHBondContact O-CG 3.33Å; F19-E23 PolarHBondContact O-N 3.36Å; K20-E23 PolarHBondContact O-N 3.14Å; M21-E23 VanDerWaalsContact C-N 3.34Å; M21-E23 PolarHBondContact O-N 2.95Å; E23-V25 PolarHBondContact O-N 3.37Å; E23-K26 PolarHBondContact O-N 3.03Å; E23-K26 IonicContact OE1-NZ 2.79Å; E23-K26 PolarHBondContact OE1-NZ 2.97Å; E23-E27 WeakPolarHBondContact O-CB 3.39Å; E23-E27 PolarHBondContact O-N 2.93Å |
| 24 | L | 93.8 | Very high | 90.5 | Very high | 111 Ų | 111 | 94.9 Ų | 94.9 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 173.3 | -72.1 | 171.9 | 0 | 0 | 0 | 112.5 | K20 M21 E27 A28 | K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.45Å; M21-L24 PolarHBondContact O-N 3.48Å; L24-E27 PolarHBondContact O-N 3.19Å; L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 3.27Å |
| 25 | V | 92.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111 | M21 I22 E23 E27 A28 L29 | M21-V25 WeakPolarHBondContact O-CG2 3.38Å; M21-V25 PolarHBondContact O-N 3.35Å; I22-V25 PolarHBondContact O-N 2.87Å; E23-V25 PolarHBondContact O-N 3.37Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.48Å; V25-A28 PolarHBondContact O-N 3.18Å; V25-L29 WeakPolarHBondContact O-CB 2.76Å; V25-L29 PolarHBondContact O-N 3.04Å |
| 26 | K | 94.2 | Very high | 91.2 | Very high | 110 Ų | 110 | 93.1 Ų | 93.1 | 48% | 0.478 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.4 | -74.2 | 178 | -173.4 | 165.6 | 0 | 111.1 | I22 E23 L29 T30 | I22-K26 HydrophobicContact CG2-CD 4.3Å; I22-K26 HydrophobicContact CG2-CG 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.12Å; E23-K26 PolarHBondContact O-N 3.03Å; E23-K26 IonicContact OE1-NZ 2.79Å; E23-K26 PolarHBondContact OE1-NZ 2.97Å; K26-L29 WeakPolarHBondContact O-CB 3.13Å; K26-L29 PolarHBondContact O-N 3.12Å; K26-T30 WeakPolarHBondContact O-CG2 3.43Å; K26-T30 PolarHBondContact O-N 2.85Å; K26-T30 PolarHBondContact O-OG1 3.42Å |
| 27 | E | 94.3 | Very high | 91.4 | Very high | 90 Ų | 90 | 92.3 Ų | 92.3 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.8 | -170.2 | -172.5 | 167.9 | 0 | 0 | 112 | E23 L24 V25 L29 T30 K31 | E23-E27 WeakPolarHBondContact O-CB 3.39Å; E23-E27 PolarHBondContact O-N 2.93Å; L24-E27 PolarHBondContact O-N 3.19Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.48Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.34Å; E27-T30 PolarHBondContact O-N 2.91Å; E27-T30 PolarHBondContact O-OG1 3.25Å; E27-K31 WeakPolarHBondContact O-CG 3.4Å; E27-K31 PolarHBondContact O-N 3.34Å; E27-K31 WeakPolarHBondContact OE1-CE 3.3Å; E27-K31 IonicContact OE1-NZ 2.62Å; E27-K31 PolarHBondContact OE1-NZ 3.46Å |
| 28 | A | 89.4 | Confident | 91.6 | Very high | 54 Ų | 54 | 93 Ų | 93 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L24 V25 K31 L32 | L24-A28 WeakPolarHBondContact O-CB 3.41Å; L24-A28 PolarHBondContact O-N 3.27Å; V25-A28 PolarHBondContact O-N 3.18Å; A28-K31 PolarHBondContact O-N 3.33Å; A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.2Å; A28-L32 VanDerWaalsContact O-N 3.11Å |
| 29 | L | 90.1 | Very high | 91.7 | Very high | 122 Ų | 122 | 94.9 Ų | 94.9 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 178.8 | -170.4 | 68 | 0 | 0 | 0 | 112.2 | V25 K26 E27 K31 L32 | V25-L29 WeakPolarHBondContact O-CB 2.76Å; V25-L29 PolarHBondContact O-N 3.04Å; K26-L29 WeakPolarHBondContact O-CB 3.13Å; K26-L29 PolarHBondContact O-N 3.12Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.34Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3.06Å; L29-L32 HydrophobicContact CD1-CD1 4.38Å; L29-L32 PolarHBondContact O-N 2.94Å |
| 30 | T | 91.7 | Very high | 91.7 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 69% | 0.693 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -25.6 | 177.2 | 57 | 0 | 0 | 0 | 0 | 112.9 | K26 E27 | K26-T30 WeakPolarHBondContact O-CG2 3.43Å; K26-T30 PolarHBondContact O-N 2.85Å; K26-T30 PolarHBondContact O-OG1 3.42Å; E27-T30 PolarHBondContact O-N 2.91Å; E27-T30 PolarHBondContact O-OG1 3.25Å |
| 31 | K | 90.7 | Very high | 91.7 | Very high | 137 Ų | 137 | 90.9 Ų | 90.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -84.9 | -13.9 | 174.6 | -68 | 176.2 | -173.6 | 172.6 | 0 | 113.5 | E27 A28 L29 T33 | E27-K31 WeakPolarHBondContact O-CG 3.4Å; E27-K31 PolarHBondContact O-N 3.34Å; E27-K31 WeakPolarHBondContact OE1-CE 3.3Å; E27-K31 IonicContact OE1-NZ 2.62Å; E27-K31 PolarHBondContact OE1-NZ 3.46Å; A28-K31 PolarHBondContact O-N 3.33Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3.06Å; K31-T33 PolarHBondContact O-N 2.57Å |
| 32 | L | 90.5 | Very high | 91.7 | Very high | 80 Ų | 80 | 88.8 Ų | 88.8 | 42% | 0.419 | 48% | 0.484 | S | S | . | . | trans | -73.6 | 112.7 | 175.4 | -81.2 | 169.1 | 0 | 0 | 0 | 110 | A28 L29 L40 | A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.2Å; A28-L32 VanDerWaalsContact O-N 3.11Å; L29-L32 HydrophobicContact CD1-CD1 4.38Å; L29-L32 PolarHBondContact O-N 2.94Å; L32-L40 HydrophobicContact CD2-CD1 4.04Å | ||
| 33 | T | 92.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 88.5 Ų | 88.5 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | trans | -105.7 | 162.6 | 171.2 | 62.4 | 0 | 0 | 0 | 0 | 108.9 | K31 S35 S36 L37 | K31-T33 PolarHBondContact O-N 2.57Å; T33-S35 PolarHBondContact O-N 3.38Å; T33-S35 VanDerWaalsContact O-N 3.13Å; T33-S36 PolarHBondContact N-OG 2.97Å; T33-S36 PolarHBondContact O-N 3.06Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 3.45Å; T33-S36 PolarHBondContact OG1-N 3.26Å; T33-S36 VanDerWaalsContact OG1-N 3.15Å; T33-S36 PolarHBondContact OG1-OG 3.22Å; T33-L37 PolarHBondContact O-N 3.47Å | ||
| 34 | T | 91.6 | Very high | 91.4 | Very high | 129 Ų | 129 | 93.4 Ų | 93.4 | 79% | 0.791 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -54.1 | -34.1 | 172.4 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | S38 | T34-S38 WeakPolarHBondContact O-CB 3.33Å; T34-S38 PolarHBondContact O-N 3.3Å |
| 35 | S | 92.5 | Very high | 91.3 | Very high | 71 Ų | 71 | 92.8 Ų | 92.8 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -50.2 | 175.8 | -179 | 0 | 0 | 0 | 0 | 112.3 | T33 L37 S38 Q39 | T33-S35 PolarHBondContact O-N 3.38Å; T33-S35 VanDerWaalsContact O-N 3.13Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.88Å; S35-S38 PolarHBondContact O-N 3.26Å; S35-Q39 WeakPolarHBondContact O-CG 3.45Å; S35-Q39 PolarHBondContact O-N 2.99Å |
| 36 | S | 90.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 94.8 Ų | 94.8 | 21% | 0.21 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | T33 Q39 L40 | T33-S36 PolarHBondContact N-OG 2.97Å; T33-S36 PolarHBondContact O-N 3.06Å; T33-S36 VanDerWaalsContact O-N 3.12Å; T33-S36 PolarHBondContact O-OG 3.45Å; T33-S36 PolarHBondContact OG1-N 3.26Å; T33-S36 VanDerWaalsContact OG1-N 3.15Å; T33-S36 PolarHBondContact OG1-OG 3.22Å; S36-Q39 PolarHBondContact O-N 3.33Å; S36-L40 VanDerWaalsContact O-CG 3.3Å; S36-L40 WeakPolarHBondContact O-CG 3.4Å; S36-L40 PolarHBondContact O-N 2.9Å |
| 37 | L | 90.6 | Very high | 90.7 | Very high | 93 Ų | 93 | 97.3 Ų | 97.3 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 173.2 | -172.9 | 65.9 | 0 | 0 | 0 | 111.9 | T33 S35 Q39 L40 M41 | T33-L37 PolarHBondContact O-N 3.47Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.88Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.82Å; L37-L40 PolarHBondContact O-N 2.87Å; L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 2.95Å |
| 38 | S | 92 | Very high | 90.5 | Very high | 64 Ų | 64 | 94.4 Ų | 94.4 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | T34 S35 M41 M42 | T34-S38 WeakPolarHBondContact O-CB 3.33Å; T34-S38 PolarHBondContact O-N 3.3Å; S35-S38 PolarHBondContact O-N 3.26Å; S38-M41 PolarHBondContact O-N 3.4Å; S38-M42 WeakPolarHBondContact O-CG 3.45Å; S38-M42 PolarHBondContact O-N 2.92Å |
| 39 | Q | 89.3 | Confident | 90.7 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.7 | -69.9 | 174.8 | 2.6 | 0 | 0 | 112.3 | S35 S36 L37 M41 M42 I43 | S35-Q39 WeakPolarHBondContact O-CG 3.45Å; S35-Q39 PolarHBondContact O-N 2.99Å; S36-Q39 PolarHBondContact O-N 3.33Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.82Å; Q39-M41 VanDerWaalsContact C-N 3.3Å; Q39-M41 PolarHBondContact O-N 2.68Å; Q39-M42 HydrophobicContact CG-CE 4.22Å; Q39-M42 PolarHBondContact O-N 3.5Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; Q39-I43 VanDerWaalsContact O-CG1 3.32Å; Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 3.43Å |
| 40 | L | 88.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 92 Ų | 92 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.2 | -71.7 | 172.1 | 0 | 0 | 0 | 111.5 | L32 S36 L37 I43 R44 | L32-L40 HydrophobicContact CD2-CD1 4.04Å; S36-L40 VanDerWaalsContact O-CG 3.3Å; S36-L40 WeakPolarHBondContact O-CG 3.4Å; S36-L40 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 2.87Å; L40-I43 PolarHBondContact O-N 2.95Å; L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 3.47Å |
| 41 | M | 92 | Very high | 90.7 | Very high | 82 Ų | 82 | 91.1 Ų | 91.1 | 40% | 0.404 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.8 | -70.2 | -57.1 | 100 | 0 | 0 | 111.8 | L37 S38 Q39 R44 T45 | L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 2.95Å; S38-M41 PolarHBondContact O-N 3.4Å; Q39-M41 VanDerWaalsContact C-N 3.3Å; Q39-M41 PolarHBondContact O-N 2.68Å; M41-R44 PolarHBondContact O-N 3.22Å; M41-T45 WeakPolarHBondContact O-CB 3.5Å; M41-T45 WeakPolarHBondContact O-CG2 3.3Å; M41-T45 PolarHBondContact O-N 3.29Å; M41-T45 PolarHBondContact O-OG1 3.3Å |
| 42 | M | 92.5 | Very high | 90.8 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 23% | 0.227 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.4 | -74.5 | -166.8 | -73.9 | 0 | 0 | 112.3 | S38 Q39 R44 T45 R46 Y49 | S38-M42 WeakPolarHBondContact O-CG 3.45Å; S38-M42 PolarHBondContact O-N 2.92Å; Q39-M42 HydrophobicContact CG-CE 4.22Å; Q39-M42 PolarHBondContact O-N 3.5Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; M42-R44 VanDerWaalsContact C-N 3.33Å; M42-R44 PolarHBondContact O-N 2.93Å; M42-T45 PolarHBondContact O-N 3.11Å; M42-R46 WeakPolarHBondContact O-CB 3.33Å; M42-R46 PolarHBondContact O-N 2.98Å; M42-Y49 HydrophobicContact CB-CD1 3.54Å; M42-Y49 HydrophobicContact CB-CD2 4.15Å; M42-Y49 HydrophobicContact CB-CE1 3.58Å; M42-Y49 HydrophobicContact CB-CE2 4.2Å; M42-Y49 HydrophobicContact CB-CG 3.84Å; M42-Y49 HydrophobicContact CE-CE1 4.16Å; M42-Y49 HydrophobicContact CE-CE2 3.75Å; M42-Y49 VanDerWaalsContact CE-CZ 3.46Å; M42-Y49 VanDerWaalsContact CE-OH 3.24Å; M42-Y49 WeakPolarHBondContact CE-OH 3.3Å; M42-Y49 HydrophobicContact SD-CD2 4.11Å; M42-Y49 HydrophobicContact SD-CE2 3.68Å |
| 43 | I | 90.2 | Very high | 90.9 | Very high | 69 Ų | 69 | 90.1 Ų | 90.1 | 35% | 0.354 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.1 | -67.1 | 166.6 | 0 | 0 | 0 | 110.2 | Q39 L40 Y49 L53 | Q39-I43 VanDerWaalsContact O-CG1 3.32Å; Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 3.43Å; L40-I43 PolarHBondContact O-N 2.95Å; I43-Y49 HydrophobicContact CB-CD1 4.46Å; I43-Y49 HydrophobicContact CG1-CD1 3.69Å; I43-Y49 HydrophobicContact CG1-CE1 3.79Å; I43-L53 HydrophobicContact CG1-CD1 4.42Å |
| 44 | R | 88.8 | Confident | 91 | Very high | 205 Ų | 205 | 89.3 Ų | 89.3 | 77% | 0.774 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.6 | -40.3 | -179.8 | -176.9 | -180 | 179.6 | -175.2 | 1.4 | 113.3 | L40 M41 M42 | L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 3.47Å; M41-R44 PolarHBondContact O-N 3.22Å; M42-R44 VanDerWaalsContact C-N 3.33Å; M42-R44 PolarHBondContact O-N 2.93Å |
| 45 | T | 92.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 88.1 Ų | 88.1 | 60% | 0.595 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -97.2 | -24.2 | -167.6 | 57 | 0 | 0 | 0 | 0 | 114.1 | M41 M42 | M41-T45 WeakPolarHBondContact O-CB 3.5Å; M41-T45 WeakPolarHBondContact O-CG2 3.3Å; M41-T45 PolarHBondContact O-N 3.29Å; M41-T45 PolarHBondContact O-OG1 3.3Å; M42-T45 PolarHBondContact O-N 3.11Å |
| 46 | R | 90.1 | Very high | 91.4 | Very high | 144 Ų | 144 | 91.7 Ų | 91.7 | 54% | 0.543 | 45% | 0.451 | S | S | . | . | trans | -118.4 | 102.3 | -174.9 | -61.6 | -178.1 | 178 | -167.7 | -2.1 | 110.1 | M42 G48 Y49 | M42-R46 WeakPolarHBondContact O-CB 3.33Å; M42-R46 PolarHBondContact O-N 2.98Å; R46-G48 VanDerWaalsContact C-N 3.3Å; R46-G48 PolarHBondContact O-N 2.88Å; R46-Y49 VanDerWaalsContact O-CB 3.31Å; R46-Y49 WeakPolarHBondContact O-CB 3.36Å; R46-Y49 PolarHBondContact O-N 3.39Å | ||
| 47 | I | 84.7 | Confident | 91.7 | Very high | 162 Ų | 162 | 95.9 Ų | 95.9 | 83% | 0.831 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -48.6 | -48.7 | -176.6 | -60.7 | 170.7 | 0 | 0 | 0 | 111.8 | Y49 | I47-Y49 VanDerWaalsContact C-N 3.35Å; I47-Y49 PolarHBondContact O-N 3.47Å |
| 48 | G | 91.1 | Very high | 92 | Very high | 29 Ų | 29 | 95.1 Ų | 95.1 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.5 | 8.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R46 R52 | R46-G48 VanDerWaalsContact C-N 3.3Å; R46-G48 PolarHBondContact O-N 2.88Å; G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.42Å; G48-R52 PolarHBondContact O-NE 3.36Å |
| 49 | Y | 92.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 95.6 Ų | 95.6 | 14% | 0.137 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -74.1 | -41.9 | 175.1 | 179.5 | -105.6 | 0 | 0 | 0 | 111.7 | M42 I43 R46 I47 D51 R52 L53 | M42-Y49 HydrophobicContact CB-CD1 3.54Å; M42-Y49 HydrophobicContact CB-CD2 4.15Å; M42-Y49 HydrophobicContact CB-CE1 3.58Å; M42-Y49 HydrophobicContact CB-CE2 4.2Å; M42-Y49 HydrophobicContact CB-CG 3.84Å; M42-Y49 HydrophobicContact CE-CE1 4.16Å; M42-Y49 HydrophobicContact CE-CE2 3.75Å; M42-Y49 VanDerWaalsContact CE-CZ 3.46Å; M42-Y49 VanDerWaalsContact CE-OH 3.24Å; M42-Y49 WeakPolarHBondContact CE-OH 3.3Å; M42-Y49 HydrophobicContact SD-CD2 4.11Å; M42-Y49 HydrophobicContact SD-CE2 3.68Å; I43-Y49 HydrophobicContact CB-CD1 4.46Å; I43-Y49 HydrophobicContact CG1-CD1 3.69Å; I43-Y49 HydrophobicContact CG1-CE1 3.79Å; R46-Y49 VanDerWaalsContact O-CB 3.31Å; R46-Y49 WeakPolarHBondContact O-CB 3.36Å; R46-Y49 PolarHBondContact O-N 3.39Å; I47-Y49 VanDerWaalsContact C-N 3.35Å; I47-Y49 PolarHBondContact O-N 3.47Å; Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.31Å; Y49-R52 PolarHBondContact O-N 2.94Å; Y49-L53 HydrophobicContact CD1-CD1 3.81Å; Y49-L53 HydrophobicContact CD1-CG 4.27Å; Y49-L53 HydrophobicContact CE1-CD1 3.2Å; Y49-L53 HydrophobicContact CE1-CD2 4.49Å; Y49-L53 HydrophobicContact CE1-CG 3.83Å; Y49-L53 HydrophobicContact CE2-CD1 4.47Å; Y49-L53 HydrophobicContact CE2-CD2 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.25Å; Y49-L53 WeakPolarHBondContact O-CG 3.46Å; Y49-L53 PolarHBondContact O-N 3.43Å |
| 50 | L | 89.8 | Confident | 92.7 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.6 | -176.6 | 62.1 | 0 | 0 | 0 | 111.6 | L53 T54 | L50-L53 PolarHBondContact O-N 3.04Å; L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.48Å; L50-T54 PolarHBondContact O-OG1 3.46Å |
| 51 | D | 92 | Very high | 93.1 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 176.9 | -60 | -31.2 | 0 | 0 | 0 | 111 | Y49 L53 T54 D55 | Y49-D51 VanDerWaalsContact C-N 3.34Å; Y49-D51 PolarHBondContact O-N 3.31Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.95Å; D51-T54 WeakPolarHBondContact O-CA 3.39Å; D51-T54 WeakPolarHBondContact O-CB 3.33Å; D51-T54 PolarHBondContact O-N 3.16Å; D51-D55 PolarHBondContact O-N 2.94Å |
| 52 | R | 93.9 | Very high | 93.4 | Very high | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.562 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -35.9 | 177 | -73.9 | -179.5 | -67.9 | -146.2 | -2.2 | 113.5 | G48 Y49 R56 | G48-R52 WeakPolarHBondContact O-CG 3.4Å; G48-R52 PolarHBondContact O-N 3.42Å; G48-R52 PolarHBondContact O-NE 3.36Å; Y49-R52 PolarHBondContact O-N 2.94Å; R52-R56 WeakPolarHBondContact O-CB 3.36Å; R52-R56 PolarHBondContact O-N 3.02Å |
| 53 | L | 92 | Very high | 93.6 | Very high | 47 Ų | 47 | 107.1 Ų | 107.1 | 25% | 0.246 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 173.5 | -80.6 | -177.3 | 0 | 0 | 0 | 110.9 | I43 Y49 L50 D51 R56 L57 | I43-L53 HydrophobicContact CG1-CD1 4.42Å; Y49-L53 HydrophobicContact CD1-CD1 3.81Å; Y49-L53 HydrophobicContact CD1-CG 4.27Å; Y49-L53 HydrophobicContact CE1-CD1 3.2Å; Y49-L53 HydrophobicContact CE1-CD2 4.49Å; Y49-L53 HydrophobicContact CE1-CG 3.83Å; Y49-L53 HydrophobicContact CE2-CD1 4.47Å; Y49-L53 HydrophobicContact CE2-CD2 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.25Å; Y49-L53 WeakPolarHBondContact O-CG 3.46Å; Y49-L53 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 3.04Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.95Å; L53-R56 PolarHBondContact O-N 3.31Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.36Å |
| 54 | T | 93.5 | Very high | 94 | Very high | 64 Ų | 64 | 106 Ų | 106 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | L50 D51 R56 L57 L58 | L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 3.48Å; L50-T54 PolarHBondContact O-OG1 3.46Å; D51-T54 WeakPolarHBondContact O-CA 3.39Å; D51-T54 WeakPolarHBondContact O-CB 3.33Å; D51-T54 PolarHBondContact O-N 3.16Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 3.17Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-L57 VanDerWaalsContact O-N 3.16Å; T54-L58 HydrophobicContact CG2-CD1 4.16Å; T54-L58 HydrophobicContact CG2-CG 4.49Å; T54-L58 WeakPolarHBondContact O-CG 3.44Å; T54-L58 PolarHBondContact O-N 2.87Å |
| 55 | D | 96.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.5 | -44 | 176.3 | -69.7 | -23.4 | 0 | 0 | 0 | 111.7 | D51 L58 D59 | D51-D55 PolarHBondContact O-N 2.94Å; D55-L58 PolarHBondContact O-N 3.17Å; D55-D59 WeakPolarHBondContact O-CB 3.36Å; D55-D59 PolarHBondContact O-N 3.48Å |
| 56 | R | 96 | Very high | 94.7 | Very high | 147 Ų | 147 | 100.5 Ų | 100.5 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 177.6 | -174.3 | 178.9 | -68.3 | 177.2 | -3.4 | 112.1 | R52 L53 T54 L58 D59 Y60 | R52-R56 WeakPolarHBondContact O-CB 3.36Å; R52-R56 PolarHBondContact O-N 3.02Å; L53-R56 PolarHBondContact O-N 3.31Å; T54-R56 VanDerWaalsContact C-N 3.31Å; T54-R56 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.35Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-Y60 HydrophobicContact CG-CD2 3.99Å; R56-Y60 HydrophobicContact CG-CE2 3.53Å; R56-Y60 WeakPolarHBondContact O-CD2 3.33Å; R56-Y60 PolarHBondContact O-N 2.91Å |
| 57 | L | 96.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 176.1 | -72 | 173.4 | 0 | 0 | 0 | 111.7 | L53 T54 R61 | L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 3.36Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-L57 VanDerWaalsContact O-N 3.16Å; L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 2.84Å |
| 58 | L | 97.7 | Very high | 95.7 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.1 | -71.5 | 172.9 | 0 | 0 | 0 | 111.6 | T54 D55 R56 R61 R62 | T54-L58 HydrophobicContact CG2-CD1 4.16Å; T54-L58 HydrophobicContact CG2-CG 4.49Å; T54-L58 WeakPolarHBondContact O-CG 3.44Å; T54-L58 PolarHBondContact O-N 2.87Å; D55-L58 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.35Å; L58-R61 VanDerWaalsContact CD2-NH2 3.31Å; L58-R61 PolarHBondContact O-N 3.13Å; L58-R62 PolarHBondContact O-N 2.9Å |
| 59 | D | 97.8 | Very high | 96 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 175.5 | -173.8 | 52 | 0 | 0 | 0 | 111.4 | D55 R56 R61 R62 Q63 | D55-D59 WeakPolarHBondContact O-CB 3.36Å; D55-D59 PolarHBondContact O-N 3.48Å; R56-D59 PolarHBondContact O-N 3.06Å; D59-R61 VanDerWaalsContact C-N 3.3Å; D59-R61 PolarHBondContact O-N 3.3Å; D59-R62 WeakPolarHBondContact O-CB 3.49Å; D59-R62 PolarHBondContact O-N 3.48Å; D59-R62 VanDerWaalsContact O-N 3.11Å; D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.14Å; D59-Q63 PolarHBondContact OD2-NE2 3.43Å |
| 60 | Y | 97.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 105.7 Ų | 105.7 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.5 | -71.3 | -33.3 | 0 | 0 | 0 | 113 | R56 Q63 A64 | R56-Y60 HydrophobicContact CG-CD2 3.99Å; R56-Y60 HydrophobicContact CG-CE2 3.53Å; R56-Y60 WeakPolarHBondContact O-CD2 3.33Å; R56-Y60 PolarHBondContact O-N 2.91Å; Y60-Q63 PolarHBondContact O-N 3.42Å; Y60-A64 WeakPolarHBondContact O-CB 3.24Å; Y60-A64 PolarHBondContact O-N 2.84Å |
| 61 | R | 97.7 | Very high | 96.7 | Very high | 150 Ų | 150 | 106 Ų | 106 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 174.1 | -174.8 | 178 | 69 | 179.5 | 2.5 | 110.9 | L57 L58 D59 A64 E65 | L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 2.84Å; L58-R61 VanDerWaalsContact CD2-NH2 3.31Å; L58-R61 PolarHBondContact O-N 3.13Å; D59-R61 VanDerWaalsContact C-N 3.3Å; D59-R61 PolarHBondContact O-N 3.3Å; R61-A64 PolarHBondContact O-N 3.5Å; R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 3.4Å |
| 62 | R | 97.7 | Very high | 97 | Very high | 166 Ų | 166 | 104.4 Ų | 104.4 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 177.1 | -173.2 | -177.6 | -176.7 | -176.9 | 1.8 | 111.9 | L58 D59 A64 E65 L66 | L58-R62 PolarHBondContact O-N 2.9Å; D59-R62 WeakPolarHBondContact O-CB 3.49Å; D59-R62 PolarHBondContact O-N 3.48Å; D59-R62 VanDerWaalsContact O-N 3.11Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 3.17Å; R62-E65 PolarHBondContact O-N 2.88Å; R62-L66 HydrophobicContact CG-CD1 4.38Å; R62-L66 WeakPolarHBondContact O-CG 3.44Å; R62-L66 PolarHBondContact O-N 2.83Å |
| 63 | Q | 98 | Very high | 97.1 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 176.3 | -70 | -177.5 | 21.8 | 0 | 0 | 111.6 | D59 Y60 L66 A67 | D59-Q63 WeakPolarHBondContact O-CG 3.35Å; D59-Q63 PolarHBondContact O-N 3.14Å; D59-Q63 PolarHBondContact OD2-NE2 3.43Å; Y60-Q63 PolarHBondContact O-N 3.42Å; Q63-L66 PolarHBondContact O-N 3.06Å; Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 2.94Å |
| 64 | A | 97.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 104 Ų | 104 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y60 R61 R62 A67 R68 | Y60-A64 WeakPolarHBondContact O-CB 3.24Å; Y60-A64 PolarHBondContact O-N 2.84Å; R61-A64 PolarHBondContact O-N 3.5Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 3.17Å; A64-A67 PolarHBondContact O-N 2.93Å; A64-R68 VanDerWaalsContact O-CG 3.32Å; A64-R68 WeakPolarHBondContact O-CG 3.32Å; A64-R68 PolarHBondContact O-N 3.41Å |
| 65 | E | 97.9 | Very high | 97.6 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 174 | -74.2 | 169.2 | -175.7 | 0 | 0 | 111.5 | R61 R62 A67 R68 T69 | R61-E65 WeakPolarHBondContact O-CG 3.35Å; R61-E65 PolarHBondContact O-N 3.4Å; R62-E65 PolarHBondContact O-N 2.88Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-OG1 3.27Å |
| 66 | L | 97.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 107.2 Ų | 107.2 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.1 | -71.5 | 172.9 | 0 | 0 | 0 | 112.1 | R62 Q63 T69 R70 | R62-L66 HydrophobicContact CG-CD1 4.38Å; R62-L66 WeakPolarHBondContact O-CG 3.44Å; R62-L66 PolarHBondContact O-N 2.83Å; Q63-L66 PolarHBondContact O-N 3.06Å; L66-T69 PolarHBondContact O-N 2.95Å; L66-R70 WeakPolarHBondContact O-CG 3.36Å; L66-R70 PolarHBondContact O-N 2.96Å |
| 67 | A | 97.7 | Very high | 97.8 | Very high | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q63 A64 E65 T69 R70 V71 | Q63-A67 WeakPolarHBondContact O-CB 3.48Å; Q63-A67 PolarHBondContact O-N 2.94Å; A64-A67 PolarHBondContact O-N 2.93Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 3.3Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.96Å; A67-R70 PolarHBondContact O-N 2.88Å; A67-V71 VanDerWaalsContact O-CG2 3.24Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.36Å |
| 68 | R | 98 | Very high | 97.8 | Very high | 189 Ų | 189 | 104.3 Ų | 104.3 | 71% | 0.713 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 175.2 | -74.1 | 173.4 | -177.6 | 177.8 | 1.2 | 112 | A64 E65 V71 S72 | A64-R68 VanDerWaalsContact O-CG 3.32Å; A64-R68 WeakPolarHBondContact O-CG 3.32Å; A64-R68 PolarHBondContact O-N 3.41Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.39Å; R68-V71 PolarHBondContact O-N 2.93Å; R68-S72 WeakPolarHBondContact O-CB 3.4Å; R68-S72 PolarHBondContact O-N 2.89Å |
| 69 | T | 97.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E65 L66 A67 S72 Q73 | E65-T69 PolarHBondContact O-N 3.39Å; E65-T69 PolarHBondContact O-OG1 3.27Å; L66-T69 PolarHBondContact O-N 2.95Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-N 3.2Å; T69-Q73 WeakPolarHBondContact O-CG 3.39Å; T69-Q73 PolarHBondContact O-N 3.44Å |
| 70 | R | 97.9 | Very high | 97.9 | Very high | 166 Ų | 166 | 107.4 Ų | 107.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.6 | -47 | 176.7 | -73 | 177.8 | -168.1 | 174.2 | 4.5 | 111.6 | L66 A67 S72 Q73 T74 | L66-R70 WeakPolarHBondContact O-CG 3.36Å; L66-R70 PolarHBondContact O-N 2.96Å; A67-R70 PolarHBondContact O-N 2.88Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.35Å; R70-Q73 PolarHBondContact O-N 3.15Å; R70-Q73 VanDerWaalsContact O-N 3.17Å; R70-T74 WeakPolarHBondContact O-CG2 3.36Å; R70-T74 PolarHBondContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 2.97Å; R70-T74 VanDerWaalsContact O-OG1 3.06Å |
| 71 | V | 98.2 | Very high | 97.9 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 58% | 0.582 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58 | -44.7 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | A67 R68 Q73 T74 Q75 | A67-V71 VanDerWaalsContact O-CG2 3.24Å; A67-V71 WeakPolarHBondContact O-CG2 3.41Å; A67-V71 PolarHBondContact O-N 3.36Å; R68-V71 PolarHBondContact O-N 2.93Å; V71-Q73 PolarHBondContact O-N 2.76Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 2.97Å; V71-T74 PolarHBondContact O-OG1 2.92Å; V71-Q75 WeakPolarHBondContact O-CB 3.32Å; V71-Q75 PolarHBondContact O-N 3.41Å |
| 72 | S | 97.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 100.6 Ų | 100.6 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | R68 T69 R70 Q75 K76 | R68-S72 WeakPolarHBondContact O-CB 3.4Å; R68-S72 PolarHBondContact O-N 2.89Å; T69-S72 PolarHBondContact O-N 3.2Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.35Å; S72-Q75 PolarHBondContact O-N 3.36Å; S72-K76 WeakPolarHBondContact O-CG 3.45Å; S72-K76 PolarHBondContact O-N 2.88Å; S72-K76 VanDerWaalsContact O-N 3.14Å |
| 73 | Q | 97.7 | Very high | 97.9 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.6 | -73.1 | 172.7 | -13.8 | 0 | 0 | 111.9 | T69 R70 V71 Q75 K76 L77 | T69-Q73 WeakPolarHBondContact O-CG 3.39Å; T69-Q73 PolarHBondContact O-N 3.44Å; R70-Q73 PolarHBondContact O-N 3.15Å; R70-Q73 VanDerWaalsContact O-N 3.17Å; V71-Q73 PolarHBondContact O-N 2.76Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.29Å; Q73-K76 PolarHBondContact O-N 3.49Å; Q73-L77 PolarHBondContact O-N 3.38Å |
| 74 | T | 97.5 | Very high | 97.9 | Very high | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 177.4 | 51 | 0 | 0 | 0 | 0 | 111.6 | R70 V71 K76 L77 I78 | R70-T74 WeakPolarHBondContact O-CG2 3.36Å; R70-T74 PolarHBondContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 2.97Å; R70-T74 VanDerWaalsContact O-OG1 3.06Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 2.97Å; V71-T74 PolarHBondContact O-OG1 2.92Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.34Å; T74-L77 PolarHBondContact O-N 2.82Å; T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 3.35Å |
| 75 | Q | 97.7 | Very high | 97.9 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176 | -171.4 | 60.3 | 49.3 | 0 | 0 | 111.2 | V71 S72 Q73 L77 I78 D79 | V71-Q75 WeakPolarHBondContact O-CB 3.32Å; V71-Q75 PolarHBondContact O-N 3.41Å; S72-Q75 PolarHBondContact O-N 3.36Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.29Å; Q75-L77 VanDerWaalsContact C-N 3.27Å; Q75-L77 PolarHBondContact O-N 3.31Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.87Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; Q75-D79 PolarHBondContact NE2-OD1 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å |
| 76 | K | 97.9 | Very high | 97.9 | Very high | 144 Ų | 144 | 103.1 Ų | 103.1 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | 175.4 | -70.6 | 175.8 | -177.6 | -175.5 | 0 | 113 | S72 Q73 T74 K80 | S72-K76 WeakPolarHBondContact O-CG 3.45Å; S72-K76 PolarHBondContact O-N 2.88Å; S72-K76 VanDerWaalsContact O-N 3.14Å; Q73-K76 PolarHBondContact O-N 3.49Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.34Å; K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 PolarHBondContact O-N 2.92Å |
| 77 | L | 98.2 | Very high | 97.9 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -40.5 | 175.9 | -67.9 | 174.4 | 0 | 0 | 0 | 111.6 | Q73 T74 Q75 K80 A81 | Q73-L77 PolarHBondContact O-N 3.38Å; T74-L77 PolarHBondContact O-N 2.82Å; Q75-L77 VanDerWaalsContact C-N 3.27Å; Q75-L77 PolarHBondContact O-N 3.31Å; L77-K80 PolarHBondContact O-N 2.84Å; L77-A81 WeakPolarHBondContact O-CB 3.31Å; L77-A81 PolarHBondContact O-N 2.98Å |
| 78 | I | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 107 Ų | 107 | 43% | 0.431 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174.3 | -68.7 | 165.6 | 0 | 0 | 0 | 110 | T74 Q75 K80 A81 L82 | T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 3.35Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.87Å; Q75-I78 VanDerWaalsContact O-N 3.13Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.92Å; I78-A81 PolarHBondContact O-N 3.05Å; I78-A81 VanDerWaalsContact O-N 3.16Å; I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.05Å |
| 79 | D | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 102 Ų | 102 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.8 | -60.7 | -22.1 | 0 | 0 | 0 | 111.1 | Q75 L82 L83 | Q75-D79 PolarHBondContact NE2-OD1 3.34Å; Q75-D79 PolarHBondContact O-N 3.16Å; D79-L82 PolarHBondContact O-N 3.32Å; D79-L83 WeakPolarHBondContact O-CG 3.37Å; D79-L83 PolarHBondContact O-N 2.88Å |
| 80 | K | 98.1 | Very high | 97.7 | Very high | 145 Ų | 145 | 102.3 Ų | 102.3 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 174.9 | -175 | -179 | 176.4 | -175 | 0 | 112.1 | K76 L77 I78 L82 L83 E84 | K76-K80 WeakPolarHBondContact O-CB 3.49Å; K76-K80 PolarHBondContact O-N 2.92Å; L77-K80 PolarHBondContact O-N 2.84Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.92Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.84Å; K80-L83 PolarHBondContact O-N 3.27Å; K80-E84 PolarHBondContact O-N 3.41Å |
| 81 | A | 97.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L77 I78 E84 Q85 | L77-A81 WeakPolarHBondContact O-CB 3.31Å; L77-A81 PolarHBondContact O-N 2.98Å; I78-A81 PolarHBondContact O-N 3.05Å; I78-A81 VanDerWaalsContact O-N 3.16Å; A81-E84 PolarHBondContact O-N 3.39Å; A81-Q85 VanDerWaalsContact O-CB 3.3Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.5Å |
| 82 | L | 98.4 | Very high | 97.5 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.4 | -74.2 | 172.5 | 0 | 0 | 0 | 111.9 | I78 D79 K80 Q85 Q86 | I78-L82 HydrophobicContact CG2-CD1 3.91Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.05Å; D79-L82 PolarHBondContact O-N 3.32Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 2.84Å; L82-Q85 PolarHBondContact O-N 2.97Å; L82-Q86 WeakPolarHBondContact O-CB 3.34Å; L82-Q86 VanDerWaalsContact O-CG 3.3Å; L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.19Å |
| 83 | L | 97.9 | Very high | 97.3 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 175.5 | -72.2 | 173 | 0 | 0 | 0 | 111.7 | D79 K80 Q86 E87 | D79-L83 WeakPolarHBondContact O-CG 3.37Å; D79-L83 PolarHBondContact O-N 2.88Å; K80-L83 PolarHBondContact O-N 3.27Å; L83-Q86 PolarHBondContact O-N 3.37Å; L83-E87 PolarHBondContact O-N 3.32Å |
| 84 | E | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.8 | -175.5 | 174.3 | 178.2 | 0 | 0 | 111.5 | K80 A81 Q86 E87 K88 | K80-E84 PolarHBondContact O-N 3.41Å; A81-E84 PolarHBondContact O-N 3.39Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 2.9Å; E84-E87 PolarHBondContact O-N 2.97Å; E84-K88 HydrophobicContact CG-CG 4.46Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.32Å |
| 85 | Q | 97.9 | Very high | 97 | Very high | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 176 | -175.8 | -179.6 | 19.5 | 0 | 0 | 111.8 | A81 L82 K88 T89 | A81-Q85 VanDerWaalsContact O-CB 3.3Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.5Å; L82-Q85 PolarHBondContact O-N 2.97Å; Q85-K88 PolarHBondContact O-N 2.88Å; Q85-T89 VanDerWaalsContact O-CB 3.3Å; Q85-T89 WeakPolarHBondContact O-CB 3.34Å; Q85-T89 PolarHBondContact O-N 3.12Å; Q85-T89 PolarHBondContact O-OG1 3.13Å |
| 86 | Q | 97.8 | Very high | 96.7 | Very high | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -48.5 | 176.4 | -75.6 | 174.7 | -4.2 | 0 | 0 | 111 | L82 L83 E84 K88 T89 T90 | L82-Q86 WeakPolarHBondContact O-CB 3.34Å; L82-Q86 VanDerWaalsContact O-CG 3.3Å; L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.19Å; L83-Q86 PolarHBondContact O-N 3.37Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 2.9Å; Q86-K88 PolarHBondContact O-N 3.15Å; Q86-T89 PolarHBondContact O-N 3.45Å; Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.43Å; Q86-T90 VanDerWaalsContact O-OG1 3.11Å |
| 87 | E | 97.7 | Very high | 96.4 | Very high | 107 Ų | 107 | 96.1 Ų | 96.1 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 178.3 | -167.7 | -165.5 | 148.7 | 0 | 0 | 111.7 | L83 E84 T89 T90 Q91 | L83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 2.97Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.27Å; E87-T90 PolarHBondContact O-N 2.94Å; E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.45Å; E87-Q91 PolarHBondContact OE1-NE2 3.48Å |
| 88 | K | 97.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 47% | 0.47 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 178 | -66 | -52.1 | 178.9 | -168.1 | 0 | 112.7 | E84 Q85 Q86 T90 Q91 L92 | E84-K88 HydrophobicContact CG-CG 4.46Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.32Å; Q85-K88 PolarHBondContact O-N 2.88Å; Q86-K88 PolarHBondContact O-N 3.15Å; K88-T90 VanDerWaalsContact C-N 3.34Å; K88-Q91 PolarHBondContact O-N 2.9Å; K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.14Å |
| 89 | T | 96.6 | Very high | 95.8 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111 | Q85 Q86 E87 L92 A93 | Q85-T89 VanDerWaalsContact O-CB 3.3Å; Q85-T89 WeakPolarHBondContact O-CB 3.34Å; Q85-T89 PolarHBondContact O-N 3.12Å; Q85-T89 PolarHBondContact O-OG1 3.13Å; Q86-T89 PolarHBondContact O-N 3.45Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.27Å; T89-L92 PolarHBondContact O-N 3.33Å; T89-A93 WeakPolarHBondContact O-CB 3.32Å; T89-A93 PolarHBondContact O-N 2.9Å |
| 90 | T | 96.2 | Very high | 95.4 | Very high | 80 Ų | 80 | 93.8 Ų | 93.8 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | Q86 E87 K88 L92 A93 Q94 | Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.43Å; Q86-T90 VanDerWaalsContact O-OG1 3.11Å; E87-T90 PolarHBondContact O-N 2.94Å; K88-T90 VanDerWaalsContact C-N 3.34Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 2.94Å; T90-A93 PolarHBondContact O-N 3.28Å; T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 2.66Å |
| 91 | Q | 96.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 94.4 Ų | 94.4 | 31% | 0.313 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.1 | -74.8 | 170.7 | 7.7 | 0 | 0 | 111.4 | E87 K88 Q94 L95 | E87-Q91 WeakPolarHBondContact O-CG 3.36Å; E87-Q91 PolarHBondContact O-N 3.45Å; E87-Q91 PolarHBondContact OE1-NE2 3.48Å; K88-Q91 PolarHBondContact O-N 2.9Å; Q91-Q94 PolarHBondContact O-N 3.36Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.87Å |
| 92 | L | 94.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.1 | -174.2 | 67.5 | 0 | 0 | 0 | 111.1 | K88 T89 T90 Q94 L95 K96 | K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 PolarHBondContact O-N 3.14Å; T89-L92 PolarHBondContact O-N 3.33Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 2.94Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; L92-Q94 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3.43Å; L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.37Å; L92-K96 PolarHBondContact O-N 3.01Å |
| 93 | A | 93.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T89 T90 N97 | T89-A93 WeakPolarHBondContact O-CB 3.32Å; T89-A93 PolarHBondContact O-N 2.9Å; T90-A93 PolarHBondContact O-N 3.28Å; A93-N97 VanDerWaalsContact O-CG 3.29Å; A93-N97 PolarHBondContact O-N 3.24Å; A93-N97 PolarHBondContact O-ND2 2.95Å |
| 94 | Q | 95.2 | Very high | 94.1 | Very high | 119 Ų | 119 | 91.4 Ų | 91.4 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 174.8 | -71.7 | 176 | -6.3 | 0 | 0 | 111.9 | T90 Q91 L92 N97 S98 | T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 2.66Å; Q91-Q94 PolarHBondContact O-N 3.36Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; L92-Q94 PolarHBondContact O-N 2.91Å; Q94-N97 PolarHBondContact O-N 3.11Å; Q94-S98 PolarHBondContact O-N 3.4Å; Q94-S98 PolarHBondContact O-OG 3.28Å |
| 95 | L | 93 | Very high | 93.9 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 63% | 0.628 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 177.4 | -74.6 | 168.6 | 0 | 0 | 0 | 111.9 | Q91 L92 N97 S98 C99 | Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.87Å; L92-L95 PolarHBondContact O-N 3.43Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.14Å; L95-S98 PolarHBondContact O-N 2.93Å; L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.23Å |
| 96 | K | 91.2 | Very high | 93.7 | Very high | 78 Ų | 78 | 90.5 Ų | 90.5 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 173.8 | -69.6 | -175.1 | -163.9 | -147.9 | 0 | 111.4 | L92 C99 K100 L127 | L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.37Å; L92-K96 PolarHBondContact O-N 3.01Å; K96-C99 PolarHBondContact O-N 2.62Å; K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.26Å; K96-L127 WeakPolarHBondContact CD-O 3.4Å; K96-L127 WeakPolarHBondContact CD-OXT 3.49Å; K96-L127 WeakPolarHBondContact CE-O 3.39Å; K96-L127 WeakPolarHBondContact CG-OXT 3.44Å; K96-L127 PolarHBondContact NZ-O 3.07Å |
| 97 | N | 92 | Very high | 93.4 | Very high | 93 Ų | 93 | 86.7 Ų | 86.7 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 178.3 | -74.2 | -22.3 | 0 | 0 | 0 | 112.4 | A93 Q94 L95 K100 K101 | A93-N97 VanDerWaalsContact O-CG 3.29Å; A93-N97 PolarHBondContact O-N 3.24Å; A93-N97 PolarHBondContact O-ND2 2.95Å; Q94-N97 PolarHBondContact O-N 3.11Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.14Å; N97-K100 PolarHBondContact O-N 3.45Å; N97-K101 WeakPolarHBondContact O-CG 3.42Å; N97-K101 PolarHBondContact O-N 2.95Å |
| 98 | S | 93 | Very high | 93.3 | Very high | 65 Ų | 65 | 86.1 Ų | 86.1 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | Q94 L95 K101 L102 | Q94-S98 PolarHBondContact O-N 3.4Å; Q94-S98 PolarHBondContact O-OG 3.28Å; L95-S98 PolarHBondContact O-N 2.93Å; S98-K101 PolarHBondContact O-N 2.9Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.3Å |
| 99 | C | 90.9 | Very high | 93.1 | Very high | 44 Ų | 44 | 84.1 Ų | 84.1 | 30% | 0.297 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | L95 K96 K101 L102 V103 | L95-C99 WeakPolarHBondContact O-CB 3.49Å; L95-C99 PolarHBondContact O-N 3.23Å; K96-C99 PolarHBondContact O-N 2.62Å; C99-K101 VanDerWaalsContact C-N 3.33Å; C99-K101 PolarHBondContact O-N 3.49Å; C99-L102 PolarHBondContact O-N 2.87Å; C99-L102 VanDerWaalsContact O-N 3.12Å; C99-V103 WeakPolarHBondContact O-CG2 3.41Å; C99-V103 PolarHBondContact O-N 3.45Å |
| 100 | K | 89.5 | Confident | 93 | Very high | 117 Ų | 117 | 83.4 Ų | 83.4 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 175.1 | -74.6 | 179.8 | -179.9 | -174.7 | 0 | 112.6 | K96 N97 L102 V103 S104 | K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.26Å; N97-K100 PolarHBondContact O-N 3.45Å; K100-L102 PolarHBondContact O-N 3.49Å; K100-V103 PolarHBondContact O-N 2.85Å; K100-S104 PolarHBondContact O-N 2.89Å; K100-S104 PolarHBondContact O-OG 3.26Å; K100-S104 VanDerWaalsContact O-OG 3.12Å |
| 101 | K | 91.7 | Very high | 92.9 | Very high | 157 Ų | 157 | 80.9 Ų | 80.9 | 68% | 0.683 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 176.7 | -73.2 | 177.3 | -179.6 | -177.1 | 0 | 112.5 | N97 S98 C99 F105 | N97-K101 WeakPolarHBondContact O-CG 3.42Å; N97-K101 PolarHBondContact O-N 2.95Å; S98-K101 PolarHBondContact O-N 2.9Å; C99-K101 VanDerWaalsContact C-N 3.33Å; C99-K101 PolarHBondContact O-N 3.49Å; K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 3.22Å |
| 102 | L | 91.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 85.7 Ų | 85.7 | 59% | 0.586 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 177 | -72.5 | 169.9 | 0 | 0 | 0 | 111.8 | S98 C99 K100 F105 L106 | S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.3Å; C99-L102 PolarHBondContact O-N 2.87Å; C99-L102 VanDerWaalsContact O-N 3.12Å; K100-L102 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 2.93Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.93Å |
| 103 | V | 91.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 87.4 Ų | 87.4 | 11% | 0.109 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.2 | C99 K100 F105 L106 E107 I120 | C99-V103 WeakPolarHBondContact O-CG2 3.41Å; C99-V103 PolarHBondContact O-N 3.45Å; K100-V103 PolarHBondContact O-N 2.85Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 3.32Å; V103-L106 VanDerWaalsContact O-N 3.14Å; V103-E107 HydrophobicContact CG1-CG 4.27Å; V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 3.3Å; V103-I120 HydrophobicContact CG1-CB 4.23Å; V103-I120 HydrophobicContact CG1-CD1 4.41Å |
| 104 | S | 90.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 88.1 Ų | 88.1 | 41% | 0.406 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | K100 L106 E107 D108 | K100-S104 PolarHBondContact O-N 2.89Å; K100-S104 PolarHBondContact O-OG 3.26Å; K100-S104 VanDerWaalsContact O-OG 3.12Å; S104-L106 PolarHBondContact O-N 3.45Å; S104-E107 PolarHBondContact O-N 2.89Å; S104-D108 WeakPolarHBondContact O-CB 3.34Å; S104-D108 PolarHBondContact O-N 3.49Å |
| 105 | F | 93.4 | Very high | 92.6 | Very high | 124 Ų | 124 | 89.8 Ų | 89.8 | 54% | 0.544 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.2 | 176.1 | -97.5 | 0 | 0 | 0 | 112.3 | K101 L102 V103 D108 E109 | K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 3.22Å; L102-F105 PolarHBondContact O-N 2.93Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 3.43Å; F105-D108 PolarHBondContact O-N 2.96Å; F105-E109 HydrophobicContact CE1-CG 4.08Å; F105-E109 HydrophobicContact CE2-CG 4.17Å; F105-E109 HydrophobicContact CZ-CG 3.87Å; F105-E109 WeakPolarHBondContact O-CG 3.48Å; F105-E109 PolarHBondContact O-N 3.3Å |
| 106 | L | 92.8 | Very high | 92.6 | Very high | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 177.4 | -71.4 | 171.9 | 0 | 0 | 0 | 112.2 | L102 V103 S104 D108 E109 L110 I120 | L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.37Å; L102-L106 PolarHBondContact O-N 2.93Å; V103-L106 PolarHBondContact O-N 3.32Å; V103-L106 VanDerWaalsContact O-N 3.14Å; S104-L106 PolarHBondContact O-N 3.45Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-E109 PolarHBondContact O-N 3.33Å; L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.49Å; L106-I120 HydrophobicContact CB-CD1 3.7Å; L106-I120 HydrophobicContact CD1-CD1 4.3Å |
| 107 | E | 92.8 | Very high | 92.5 | Very high | 42 Ų | 42 | 96.5 Ų | 96.5 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 175 | -74.4 | 178.9 | 155.5 | 0 | 0 | 111.4 | V103 S104 S111 Q119 I120 | V103-E107 HydrophobicContact CG1-CG 4.27Å; V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 3.3Å; S104-E107 PolarHBondContact O-N 2.89Å; E107-S111 WeakPolarHBondContact O-CB 3.01Å; E107-S111 PolarHBondContact O-N 3.16Å; E107-S111 PolarHBondContact O-OG 3.4Å; E107-Q119 WeakPolarHBondContact OE1-CA 3.3Å; E107-I120 HydrophobicContact CG-CB 4.29Å; E107-I120 HydrophobicContact CG-CD1 4.05Å; E107-I120 HydrophobicContact CG-CG1 3.83Å; E107-I120 PolarHBondContact OE1-N 3.03Å |
| 108 | D | 93.7 | Very high | 92.5 | Very high | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.3 | -76.2 | -20.4 | 0 | 0 | 0 | 111.6 | S104 F105 L106 S111 R112 | S104-D108 WeakPolarHBondContact O-CB 3.34Å; S104-D108 PolarHBondContact O-N 3.49Å; F105-D108 PolarHBondContact O-N 2.96Å; L106-D108 VanDerWaalsContact C-N 3.34Å; D108-S111 PolarHBondContact O-N 3.29Å; D108-R112 VanDerWaalsContact O-CG 3.32Å; D108-R112 WeakPolarHBondContact O-CG 3.33Å; D108-R112 PolarHBondContact O-N 2.79Å |
| 109 | E | 94.4 | Very high | 92.2 | Very high | 66 Ų | 66 | 96.6 Ų | 96.6 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 179.7 | -73.5 | -60.7 | 120.8 | 0 | 0 | 112.3 | F105 L106 S111 R112 I113 | F105-E109 HydrophobicContact CE1-CG 4.08Å; F105-E109 HydrophobicContact CE2-CG 4.17Å; F105-E109 HydrophobicContact CZ-CG 3.87Å; F105-E109 WeakPolarHBondContact O-CG 3.48Å; F105-E109 PolarHBondContact O-N 3.3Å; L106-E109 PolarHBondContact O-N 3.33Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 2.94Å; E109-R112 PolarHBondContact O-N 2.89Å; E109-R112 IonicContact OE1-CZ 3.64Å; E109-R112 IonicContact OE1-NH1 2.74Å; E109-R112 PolarHBondContact OE1-NH1 3.44Å; E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 2.95Å |
| 110 | L | 93.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 96.9 Ų | 96.9 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.2 | -72 | 173 | 0 | 0 | 0 | 111.7 | L106 R112 I113 C114 V118 I120 | L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.49Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 2.89Å; L110-C114 VanDerWaalsContact O-CB 3.31Å; L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.15Å; L110-C114 PolarHBondContact O-SG 2.92Å; L110-V118 HydrophobicContact CB-CB 4.09Å; L110-V118 HydrophobicContact CB-CG1 4.05Å; L110-V118 HydrophobicContact CB-CG2 4.26Å; L110-V118 HydrophobicContact CD1-CG1 4.18Å; L110-I120 HydrophobicContact CD1-CD1 4.48Å |
| 111 | S | 94.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 97.3 Ų | 97.3 | 19% | 0.189 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 178.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | E107 D108 E109 N115 R116 V118 | E107-S111 WeakPolarHBondContact O-CB 3.01Å; E107-S111 PolarHBondContact O-N 3.16Å; E107-S111 PolarHBondContact O-OG 3.4Å; D108-S111 PolarHBondContact O-N 3.29Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 2.94Å; S111-N115 PolarHBondContact O-N 3.11Å; S111-R116 WeakPolarHBondContact CA-O 3.38Å; S111-R116 VanDerWaalsContact CB-O 3.31Å; S111-R116 WeakPolarHBondContact CB-O 3.24Å; S111-R116 PolarHBondContact O-N 2.65Å; S111-R116 PolarHBondContact OG-O 3.26Å; S111-V118 PolarHBondContact OG-N 3.47Å |
| 112 | R | 94.7 | Very high | 90.5 | Very high | 169 Ų | 169 | 91.6 Ų | 91.6 | 64% | 0.638 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -47.4 | 172.6 | -71.9 | 170.4 | -176 | 177.4 | -0.8 | 111.9 | D108 E109 L110 N115 | D108-R112 VanDerWaalsContact O-CG 3.32Å; D108-R112 WeakPolarHBondContact O-CG 3.33Å; D108-R112 PolarHBondContact O-N 2.79Å; E109-R112 PolarHBondContact O-N 2.89Å; E109-R112 IonicContact OE1-CZ 3.64Å; E109-R112 IonicContact OE1-NH1 2.74Å; E109-R112 PolarHBondContact OE1-NH1 3.44Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.48Å; R112-N115 PolarHBondContact O-OD1 2.82Å |
| 113 | I | 95.1 | Very high | 89.3 | Confident | 129 Ų | 129 | 94 Ų | 94 | 66% | 0.662 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | -179.4 | -67.4 | 167.1 | 0 | 0 | 0 | 111.3 | E109 L110 | E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 2.95Å; L110-I113 PolarHBondContact O-N 2.89Å |
| 114 | C | 92.3 | Very high | 87.7 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -87.6 | -3.6 | -176.3 | -67.3 | 0 | 0 | 0 | 0 | 114.5 | L110 R116 V118 | L110-C114 VanDerWaalsContact O-CB 3.31Å; L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.15Å; L110-C114 PolarHBondContact O-SG 2.92Å; C114-R116 HydrophobicContact CB-CG 3.93Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 VanDerWaalsContact O-N 3.14Å; C114-V118 HydrophobicContact CB-CG2 4.12Å |
| 115 | N | 92.6 | Very high | 85.9 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 82% | 0.824 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 33.9 | -173.5 | -72.6 | -35.4 | 0 | 0 | 0 | 114 | S111 R112 | S111-N115 PolarHBondContact O-N 3.11Å; R112-N115 PolarHBondContact O-OD1 2.82Å |
| 116 | R | 91.7 | Very high | 84.2 | Confident | 182 Ų | 182 | 100.6 Ų | 100.6 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -155.4 | 157.1 | 176.4 | 65.9 | 178.3 | 179.9 | 168 | -0.9 | 109.4 | S111 C114 V118 | S111-R116 WeakPolarHBondContact CA-O 3.38Å; S111-R116 VanDerWaalsContact CB-O 3.31Å; S111-R116 WeakPolarHBondContact CB-O 3.24Å; S111-R116 PolarHBondContact O-N 2.65Å; S111-R116 PolarHBondContact OG-O 3.26Å; C114-R116 HydrophobicContact CB-CG 3.93Å; C114-R116 PolarHBondContact O-N 3.43Å; C114-R116 VanDerWaalsContact O-N 3.14Å; R116-V118 HydrophobicContact CG-CG2 4.41Å; R116-V118 PolarHBondContact O-N 2.93Å |
| 117 | Q | 90.4 | Very high | 82.2 | Confident | 157 Ų | 157 | 102.4 Ų | 102.4 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | trans | -63.4 | 124.5 | 173.3 | -170.7 | 175 | 6.5 | 0 | 0 | 110.6 | ||||
| 118 | V | 90.1 | Very high | 81.7 | Confident | 31 Ų | 31 | 105.5 Ų | 105.5 | 19% | 0.188 | 54% | 0.535 | C | S | . | . | trans | -112.8 | 130 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | L110 S111 C114 R116 | L110-V118 HydrophobicContact CB-CB 4.09Å; L110-V118 HydrophobicContact CB-CG1 4.05Å; L110-V118 HydrophobicContact CB-CG2 4.26Å; L110-V118 HydrophobicContact CD1-CG1 4.18Å; S111-V118 PolarHBondContact OG-N 3.47Å; C114-V118 HydrophobicContact CB-CG2 4.12Å; R116-V118 HydrophobicContact CG-CG2 4.41Å; R116-V118 PolarHBondContact O-N 2.93Å | ||
| 119 | Q | 88.3 | Confident | 81 | Confident | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | trans | -116.5 | 129.5 | 172.6 | -70.3 | 179.8 | -7.5 | 0 | 0 | 109.1 | E107 T121 | E107-Q119 WeakPolarHBondContact OE1-CA 3.3Å; Q119-T121 PolarHBondContact O-N 3.29Å | ||
| 120 | I | 84.6 | Confident | 80.3 | Confident | 49 Ų | 49 | 108.2 Ų | 108.2 | 25% | 0.251 | 55% | 0.549 | S | S | . | . | trans | -82.1 | 105.2 | 174.9 | -62.9 | 173.4 | 0 | 0 | 0 | 107 | V103 L106 E107 L110 | V103-I120 HydrophobicContact CG1-CB 4.23Å; V103-I120 HydrophobicContact CG1-CD1 4.41Å; L106-I120 HydrophobicContact CB-CD1 3.7Å; L106-I120 HydrophobicContact CD1-CD1 4.3Å; E107-I120 HydrophobicContact CG-CB 4.29Å; E107-I120 HydrophobicContact CG-CD1 4.05Å; E107-I120 HydrophobicContact CG-CG1 3.83Å; E107-I120 PolarHBondContact OE1-N 3.03Å; L110-I120 HydrophobicContact CD1-CD1 4.48Å | ||
| 121 | T | 81.1 | Confident | 79.5 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | trans | -90.6 | 137.6 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | Q119 | Q119-T121 PolarHBondContact O-N 3.29Š| ||
| 122 | G | 70.8 | Confident | 78.5 | Confident | 37 Ų | 37 | 115.8 Ų | 115.8 | 38% | 0.381 | 58% | 0.583 | S | S | . | * | S | Bend | trans | 151.3 | 166.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F124 C125 | G122-F124 PolarHBondContact O-N 3.06Å; G122-C125 PolarHBondContact O-N 2.77Å |
| 123 | Q | 65.8 | Low | 77.4 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -14.5 | -178.9 | -68.4 | 178.9 | -11.1 | 0 | 0 | 114 | C125 D126 L127 | Q123-C125 PolarHBondContact O-N 3.22Å; Q123-D126 PolarHBondContact O-N 3.04Å; Q123-L127 WeakPolarHBondContact O-CG 3.24Å; Q123-L127 PolarHBondContact O-N 3.2Å |
| 124 | F | 58.4 | Low | 76.2 | Confident | 142 Ų | 142 | 111 Ų | 111 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -28.9 | 172.6 | -58.1 | -75 | 0 | 0 | 0 | 113 | G122 | G122-F124 PolarHBondContact O-N 3.06Š|
| 125 | C | 53.1 | Low | 75 | Confident | 55 Ų | 55 | 114.8 Ų | 114.8 | 37% | 0.372 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -22 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | G122 Q123 | G122-C125 PolarHBondContact O-N 2.77Å; Q123-C125 PolarHBondContact O-N 3.22Å |
| 126 | D | 56.5 | Low | 73.5 | Confident | 143 Ų | 143 | 111.5 Ų | 111.5 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -8.3 | -179.6 | -65.8 | -32.2 | 0 | 0 | 0 | 113.2 | Q123 | Q123-D126 PolarHBondContact O-N 3.04Š|
| 127 | L | 51.1 | Low | 71.8 | Confident | 125 Ų | 125 | 105.1 Ų | 105.1 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | trans | -69.2 | 0 | 171.8 | -79.2 | 166.3 | 0 | 0 | 0 | 111.3 | K96 Q123 | K96-L127 WeakPolarHBondContact CD-O 3.4Å; K96-L127 WeakPolarHBondContact CD-OXT 3.49Å; K96-L127 WeakPolarHBondContact CE-O 3.39Å; K96-L127 WeakPolarHBondContact CG-OXT 3.44Å; K96-L127 PolarHBondContact NZ-O 3.07Å; Q123-L127 WeakPolarHBondContact O-CG 3.24Å; Q123-L127 PolarHBondContact O-N 3.2Å |
Retrieved 127 of 127 residues in 51.6 ms
(Link to these results)