| 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 | 39.2 | Very low | 45 | Very low | 243 Ų | 243 | 152 Ų | 152 | 100% | 1.197 | 82% | 0.821 | S | S | * | * | 0 | 98.4 | 0 | -85.4 | 163.4 | 72.9 | 0 | 0 | 108 | K3 | M1-K3 PolarHBondContact O-N 3.43Š| |||
| 2 | V | 39.6 | Very low | 47 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -81.1 | 114.5 | 176 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | R4 | V2-R4 PolarHBondContact O-N 3.14Å; V2-R4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | K | 47.1 | Very low | 49.8 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -65 | 106.3 | 174.9 | -153.9 | 177 | -177.9 | -172.4 | 0 | 106.7 | M1 | M1-K3 PolarHBondContact O-N 3.43Š| ||
| 4 | R | 44.7 | Very low | 52.9 | Low | 239 Ų | 239 | 134.1 Ų | 134.1 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -82.4 | 112.4 | 173.6 | -112.4 | -179.9 | 178.1 | 169.8 | -0.6 | 107.3 | V2 | V2-R4 PolarHBondContact O-N 3.14Å; V2-R4 VanDerWaalsContact O-N 3.14Å | ||
| 5 | E | 38.6 | Very low | 55.6 | Low | 152 Ų | 152 | 129.1 Ų | 129.1 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | trans | -60.2 | 134.7 | 170.1 | -66.7 | -64.9 | 129.8 | 0 | 0 | 110 | ||||
| 6 | P | 49.7 | Very low | 58 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -92 | 97.1 | 173.5 | 33.7 | -24.6 | 0 | 0 | 0 | 108.3 | ||
| 7 | G | 47.4 | Very low | 60.1 | Low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -168.8 | -13.5 | -179 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 8 | E | 43.9 | Very low | 62.1 | Low | 189 Ų | 189 | 120.1 Ų | 120.1 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | trans | -131 | 34.8 | -169.1 | -70.8 | -176.5 | 124.7 | 0 | 0 | 114.5 | ||||
| 9 | N | 44.3 | Very low | 63.9 | Low | 153 Ų | 153 | 116.3 Ų | 116.3 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -108.7 | 20.5 | 172.6 | -75 | -21.6 | 0 | 0 | 0 | 113.9 | T11 | N9-T11 VanDerWaalsContact C-N 3.35Å; N9-T11 PolarHBondContact O-N 2.94Å | ||
| 10 | G | 48.1 | Very low | 65.5 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 62% | 0.619 | 64% | 0.64 | S | S | * | * | trans | -89.5 | 74.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S12 | G10-S12 PolarHBondContact O-N 3.2Š| ||
| 11 | T | 52.1 | Low | 66.9 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | trans | -47.7 | 121.9 | 160.5 | 28.5 | 0 | 0 | 0 | 0 | 106.8 | N9 L13 | N9-T11 VanDerWaalsContact C-N 3.35Å; N9-T11 PolarHBondContact O-N 2.94Å; T11-L13 PolarHBondContact O-N 3.43Å | ||
| 12 | S | 68.9 | Low | 69.6 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -59.3 | 77.7 | -169.1 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | G10 T14 | G10-S12 PolarHBondContact O-N 3.2Å; S12-T14 PolarHBondContact O-N 3.34Å | ||
| 13 | L | 83.3 | Confident | 72.3 | Confident | 22 Ų | 22 | 100.1 Ų | 100.1 | 12% | 0.115 | 56% | 0.561 | C | S | . | * | trans | -64 | 121.1 | -176.6 | -169 | 77 | 0 | 0 | 0 | 108.4 | T11 E17 L18 M21 L41 R44 | T11-L13 PolarHBondContact O-N 3.43Å; L13-E17 HydrophobicContact CD1-CB 3.97Å; L13-E17 HydrophobicContact CG-CB 4.4Å; L13-L18 HydrophobicContact CD2-CB 3.77Å; L13-L18 HydrophobicContact CD2-CD1 3.58Å; L13-L18 HydrophobicContact CD2-CG 4.13Å; L13-L18 HydrophobicContact CG-CB 4.26Å; L13-M21 HydrophobicContact CD1-SD 3.84Å; L13-M21 HydrophobicContact CD2-SD 4.32Å; L13-L41 HydrophobicContact CD2-CD1 4.35Å; L13-L41 HydrophobicContact CD2-CD2 4.38Å; L13-R44 PolarHBondContact O-NH1 2.74Å; L13-R44 VanDerWaalsContact O-NH1 3.16Å; L13-R44 PolarHBondContact O-NH2 3.05Å; L13-R44 VanDerWaalsContact O-NH2 3.1Å | ||
| 14 | T | 93.2 | Very high | 74.7 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | trans | -72.9 | 158.5 | -178.7 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | S12 D16 E17 L18 | S12-T14 PolarHBondContact O-N 3.34Å; T14-D16 PolarHBondContact O-N 3.29Å; T14-E17 WeakPolarHBondContact CB-OE2 3.27Å; T14-E17 PolarHBondContact N-OE2 3.45Å; T14-E17 WeakPolarHBondContact OG1-CB 3.4Å; T14-E17 WeakPolarHBondContact OG1-CG 3.24Å; T14-E17 PolarHBondContact OG1-N 2.65Å; T14-E17 PolarHBondContact OG1-OE2 3.5Å; T14-L18 VanDerWaalsContact O-CB 3.31Å; T14-L18 WeakPolarHBondContact O-CB 3.31Å; T14-L18 PolarHBondContact O-N 3.25Å | ||
| 15 | D | 94.1 | Very high | 77.1 | Confident | 59 Ų | 59 | 95.1 Ų | 95.1 | 32% | 0.316 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 177 | -81.6 | -6.5 | 0 | 0 | 0 | 111.5 | L18 V19 R44 L48 | D15-L18 PolarHBondContact O-N 2.79Å; D15-V19 WeakPolarHBondContact O-CG2 3.39Å; D15-V19 PolarHBondContact O-N 3.41Å; D15-R44 IonicContact OD1-CZ 2.67Å; D15-R44 IonicContact OD1-NE 3.85Å; D15-R44 PolarHBondContact OD1-NE 3.04Å; D15-R44 IonicContact OD1-NH2 3.58Å; D15-R44 PolarHBondContact OD1-NH2 3.14Å; D15-L48 HydrophobicContact CB-CD1 3.73Å; D15-L48 HydrophobicContact CB-CD2 4.02Å; D15-L48 WeakPolarHBondContact OD1-CD1 3.39Å; D15-L48 WeakPolarHBondContact OD2-CD2 3.39Å |
| 16 | D | 93.4 | Very high | 79.8 | Confident | 130 Ų | 130 | 88.3 Ų | 88.3 | 70% | 0.695 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.5 | -46.4 | -177.9 | -73.1 | -15.4 | 0 | 0 | 0 | 111.9 | T14 L18 V19 T20 | T14-D16 PolarHBondContact O-N 3.29Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.19Å; D16-V19 PolarHBondContact O-N 3.11Å; D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 VanDerWaalsContact O-CG2 3.23Å; D16-T20 WeakPolarHBondContact O-CG2 3.31Å; D16-T20 PolarHBondContact O-N 3.44Å; D16-T20 PolarHBondContact O-OG1 2.96Å |
| 17 | E | 94.7 | Very high | 81.9 | Confident | 94 Ų | 94 | 86 Ų | 86 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 173.4 | -70.3 | 165.6 | 143.6 | 0 | 0 | 110.4 | L13 T14 V19 T20 M21 | L13-E17 HydrophobicContact CD1-CB 3.97Å; L13-E17 HydrophobicContact CG-CB 4.4Å; T14-E17 WeakPolarHBondContact CB-OE2 3.27Å; T14-E17 PolarHBondContact N-OE2 3.45Å; T14-E17 WeakPolarHBondContact OG1-CB 3.4Å; T14-E17 WeakPolarHBondContact OG1-CG 3.24Å; T14-E17 PolarHBondContact OG1-N 2.65Å; T14-E17 PolarHBondContact OG1-OE2 3.5Å; E17-V19 VanDerWaalsContact C-N 3.29Å; E17-V19 PolarHBondContact O-N 3.04Å; E17-T20 WeakPolarHBondContact CA-OG1 3.36Å; E17-T20 PolarHBondContact O-N 3.28Å; E17-T20 PolarHBondContact O-OG1 2.9Å; E17-T20 VanDerWaalsContact O-OG1 3.13Å; E17-M21 WeakPolarHBondContact O-CB 3.35Å; E17-M21 WeakPolarHBondContact O-CG 3.41Å; E17-M21 PolarHBondContact O-N 3.3Å |
| 18 | L | 95.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.7 | -35.7 | -177.8 | -178.4 | 57.2 | 0 | 0 | 0 | 113 | L13 T14 D15 D16 L26 L41 R44 R45 L48 | L13-L18 HydrophobicContact CD2-CB 3.77Å; L13-L18 HydrophobicContact CD2-CD1 3.58Å; L13-L18 HydrophobicContact CD2-CG 4.13Å; L13-L18 HydrophobicContact CG-CB 4.26Å; T14-L18 VanDerWaalsContact O-CB 3.31Å; T14-L18 WeakPolarHBondContact O-CB 3.31Å; T14-L18 PolarHBondContact O-N 3.25Å; D15-L18 PolarHBondContact O-N 2.79Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.19Å; L18-L26 HydrophobicContact CD1-CD1 3.82Å; L18-L41 HydrophobicContact CD1-CD1 4.47Å; L18-L41 HydrophobicContact CD1-CD2 4.44Å; L18-L41 HydrophobicContact CD1-CG 4.07Å; L18-L41 HydrophobicContact CD2-CD1 4.26Å; L18-L41 HydrophobicContact CD2-CG 4.49Å; L18-R44 HydrophobicContact CD2-CB 4.09Å; L18-R44 HydrophobicContact CD2-CG 3.81Å; L18-R45 HydrophobicContact CD1-CB 3.88Å; L18-R45 HydrophobicContact CD1-CG 4.11Å; L18-R45 HydrophobicContact CD2-CB 4.08Å; L18-R45 HydrophobicContact CG-CB 3.81Å; L18-R45 HydrophobicContact CG-CG 4.03Å; L18-R45 WeakPolarHBondContact O-CD 3.44Å; L18-R45 WeakPolarHBondContact O-CG 3.42Å; L18-R45 PolarHBondContact O-NE 3.42Å; L18-L48 HydrophobicContact CD2-CD1 4.1Å |
| 19 | V | 96.1 | Very high | 86.4 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 29% | 0.291 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.4 | -43.3 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | D15 D16 E17 R45 L48 K49 | D15-V19 WeakPolarHBondContact O-CG2 3.39Å; D15-V19 PolarHBondContact O-N 3.41Å; D16-V19 PolarHBondContact O-N 3.11Å; E17-V19 VanDerWaalsContact C-N 3.29Å; E17-V19 PolarHBondContact O-N 3.04Å; V19-R45 PolarHBondContact O-NH2 2.9Å; V19-L48 HydrophobicContact CG2-CB 3.32Å; V19-L48 HydrophobicContact CG2-CD1 3.93Å; V19-L48 HydrophobicContact CG2-CG 4.24Å; V19-K49 HydrophobicContact CG1-CG 4.21Å; V19-K49 WeakPolarHBondContact O-CE 3.22Å |
| 20 | T | 95.7 | Very high | 88.8 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -80 | -32.6 | -170.5 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | D16 E17 | D16-T20 WeakPolarHBondContact O-CB 3.25Å; D16-T20 VanDerWaalsContact O-CG2 3.23Å; D16-T20 WeakPolarHBondContact O-CG2 3.31Å; D16-T20 PolarHBondContact O-N 3.44Å; D16-T20 PolarHBondContact O-OG1 2.96Å; E17-T20 WeakPolarHBondContact CA-OG1 3.36Å; E17-T20 PolarHBondContact O-N 3.28Å; E17-T20 PolarHBondContact O-OG1 2.9Å; E17-T20 VanDerWaalsContact O-OG1 3.13Å |
| 21 | M | 95.6 | Very high | 91 | Very high | 22 Ų | 22 | 83 Ų | 83 | 11% | 0.108 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -53.9 | 145.7 | 179.5 | -76.3 | 166.9 | 80.8 | 0 | 0 | 112.5 | L13 E17 E25 H29 R45 | L13-M21 HydrophobicContact CD1-SD 3.84Å; L13-M21 HydrophobicContact CD2-SD 4.32Å; E17-M21 WeakPolarHBondContact O-CB 3.35Å; E17-M21 WeakPolarHBondContact O-CG 3.41Å; E17-M21 PolarHBondContact O-N 3.3Å; M21-E25 WeakPolarHBondContact CA-OE2 3.41Å; M21-E25 HydrophobicContact CB-CB 4.17Å; M21-E25 HydrophobicContact CE-CB 3.72Å; M21-E25 HydrophobicContact CG-CB 4.41Å; M21-H29 HydrophobicContact CE-CB 4.5Å; M21-H29 WeakPolarHBondContact CE-CD2 3.45Å; M21-R45 PolarHBondContact O-NH2 3.13Å |
| 22 | S | 96.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 81.8 Ų | 81.8 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | trans | -66.6 | 170.4 | 172.6 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | R24 E25 L26 R45 | S22-R24 PolarHBondContact O-N 3Å; S22-R24 PolarHBondContact OG-N 3.49Å; S22-E25 PolarHBondContact N-OE2 3.01Å; S22-E25 VanDerWaalsContact OG-CD 3.27Å; S22-E25 WeakPolarHBondContact OG-CG 3.44Å; S22-E25 PolarHBondContact OG-N 2.83Å; S22-E25 VanDerWaalsContact OG-N 3.12Å; S22-E25 PolarHBondContact OG-OE2 3.23Å; S22-L26 WeakPolarHBondContact O-CB 3.39Å; S22-L26 PolarHBondContact O-N 2.9Å; S22-L26 VanDerWaalsContact O-N 3.07Å; S22-R45 PolarHBondContact O-NH1 3.45Å | ||
| 23 | V | 95.8 | Very high | 94 | Very high | 97 Ų | 97 | 78.4 Ų | 78.4 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.9 | -35.2 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | N27 | V23-N27 WeakPolarHBondContact O-CB 3.45Å; V23-N27 VanDerWaalsContact O-CG 3.23Å; V23-N27 PolarHBondContact O-N 3.35Å; V23-N27 PolarHBondContact O-ND2 2.64Å |
| 24 | R | 96.9 | Very high | 94.6 | Very high | 216 Ų | 216 | 79.8 Ų | 79.8 | 82% | 0.815 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.9 | -47 | 179.4 | -173.3 | 179.4 | 178.9 | -174.8 | -0.5 | 111.5 | S22 N27 Q28 | S22-R24 PolarHBondContact O-N 3Å; S22-R24 PolarHBondContact OG-N 3.49Å; R24-N27 PolarHBondContact O-N 3.48Å; R24-Q28 PolarHBondContact O-N 2.83Å |
| 25 | E | 95.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 84.8 Ų | 84.8 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.5 | -71.9 | 156.2 | -171.6 | 0 | 0 | 111.3 | M21 S22 N27 Q28 H29 | M21-E25 WeakPolarHBondContact CA-OE2 3.41Å; M21-E25 HydrophobicContact CB-CB 4.17Å; M21-E25 HydrophobicContact CE-CB 3.72Å; M21-E25 HydrophobicContact CG-CB 4.41Å; S22-E25 PolarHBondContact N-OE2 3.01Å; S22-E25 VanDerWaalsContact OG-CD 3.27Å; S22-E25 WeakPolarHBondContact OG-CG 3.44Å; S22-E25 PolarHBondContact OG-N 2.83Å; S22-E25 VanDerWaalsContact OG-N 3.12Å; S22-E25 PolarHBondContact OG-OE2 3.23Å; E25-N27 VanDerWaalsContact C-N 3.31Å; E25-N27 PolarHBondContact O-N 3.45Å; E25-Q28 WeakPolarHBondContact O-CB 3.17Å; E25-Q28 PolarHBondContact O-N 3.1Å; E25-Q28 VanDerWaalsContact O-N 3.08Å; E25-H29 PolarHBondContact O-CD2 2.96Å; E25-H29 PolarHBondContact O-N 3.16Å; E25-H29 VanDerWaalsContact O-N 3.09Å |
| 26 | L | 94.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 88.9 Ų | 88.9 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -55.6 | -49.3 | 174.1 | 176.9 | 68.3 | 0 | 0 | 0 | 110.6 | L18 S22 Q28 H29 L30 L41 | L18-L26 HydrophobicContact CD1-CD1 3.82Å; S22-L26 WeakPolarHBondContact O-CB 3.39Å; S22-L26 PolarHBondContact O-N 2.9Å; S22-L26 VanDerWaalsContact O-N 3.07Å; L26-Q28 PolarHBondContact O-N 3.41Å; L26-H29 PolarHBondContact O-N 2.7Å; L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CD2-CD1 4.45Å; L26-L30 HydrophobicContact CG-CD1 4.06Å; L26-L30 HydrophobicContact CG-CG 4.23Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; L26-L41 HydrophobicContact CD1-CD2 3.94Å |
| 27 | N | 95.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 86.9 Ų | 86.9 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.9 | -28.6 | 179.9 | -74.7 | -25.6 | 0 | 0 | 0 | 113.2 | V23 R24 E25 | V23-N27 WeakPolarHBondContact O-CB 3.45Å; V23-N27 VanDerWaalsContact O-CG 3.23Å; V23-N27 PolarHBondContact O-N 3.35Å; V23-N27 PolarHBondContact O-ND2 2.64Å; R24-N27 PolarHBondContact O-N 3.48Å; E25-N27 VanDerWaalsContact C-N 3.31Å; E25-N27 PolarHBondContact O-N 3.45Å |
| 28 | Q | 94.6 | Very high | 94.7 | Very high | 116 Ų | 116 | 84.4 Ų | 84.4 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 172.5 | -174.6 | 60.3 | 37 | 0 | 0 | 111.2 | R24 E25 L26 L30 R31 | R24-Q28 PolarHBondContact O-N 2.83Å; E25-Q28 WeakPolarHBondContact O-CB 3.17Å; E25-Q28 PolarHBondContact O-N 3.1Å; E25-Q28 VanDerWaalsContact O-N 3.08Å; L26-Q28 PolarHBondContact O-N 3.41Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.03Å; Q28-R31 WeakPolarHBondContact O-CB 3.36Å; Q28-R31 PolarHBondContact O-N 3.38Å |
| 29 | H | 91.2 | Very high | 94.7 | Very high | 92 Ų | 92 | 89.4 Ų | 89.4 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.8 | -25.2 | 176.2 | -82 | -101.9 | 0 | 0 | 0 | 113.7 | M21 E25 L26 R31 | M21-H29 HydrophobicContact CE-CB 4.5Å; M21-H29 WeakPolarHBondContact CE-CD2 3.45Å; E25-H29 PolarHBondContact O-CD2 2.96Å; E25-H29 PolarHBondContact O-N 3.16Å; E25-H29 VanDerWaalsContact O-N 3.09Å; L26-H29 PolarHBondContact O-N 2.7Å; H29-R31 VanDerWaalsContact C-N 3.26Å; H29-R31 PolarHBondContact O-N 3.02Å |
| 30 | L | 94 | Very high | 94.6 | Very high | 13 Ų | 13 | 93.8 Ų | 93.8 | 7% | 0.068 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.3 | 176.7 | -66 | 177.5 | 0 | 0 | 0 | 113.4 | L26 Q28 G32 L33 I38 L41 | L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CD2-CD1 4.45Å; L26-L30 HydrophobicContact CG-CD1 4.06Å; L26-L30 HydrophobicContact CG-CG 4.23Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.03Å; L30-G32 PolarHBondContact O-N 3.18Å; L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 PolarHBondContact O-N 2.65Å; L30-I38 HydrophobicContact CB-CG1 4.31Å; L30-I38 HydrophobicContact CD1-CG2 4.15Å; L30-I38 HydrophobicContact CD2-CB 4.31Å; L30-I38 HydrophobicContact CD2-CG1 4.08Å; L30-I38 HydrophobicContact CD2-CG2 4.15Å; L30-L41 HydrophobicContact CD2-CB 4.26Å; L30-L41 HydrophobicContact CD2-CD2 3.67Å |
| 31 | R | 94.1 | Very high | 94.6 | Very high | 187 Ų | 187 | 89.9 Ų | 89.9 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 129.9 | -178.6 | -67.3 | -175.9 | -179.8 | -128.6 | 0.8 | 110.4 | Q28 H29 L33 | Q28-R31 WeakPolarHBondContact O-CB 3.36Å; Q28-R31 PolarHBondContact O-N 3.38Å; H29-R31 VanDerWaalsContact C-N 3.26Å; H29-R31 PolarHBondContact O-N 3.02Å; R31-L33 VanDerWaalsContact C-N 3.27Å; R31-L33 PolarHBondContact O-N 2.96Å |
| 32 | G | 90.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 93.8 Ų | 93.8 | 91% | 0.907 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -2.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L30 | L30-G32 PolarHBondContact O-N 3.18Š|
| 33 | L | 93.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 96.3 Ų | 96.3 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | trans | -81.1 | 153 | 169.8 | -62.3 | -175.2 | 0 | 0 | 0 | 111.4 | L30 R31 E37 I38 | L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 PolarHBondContact O-N 2.65Å; R31-L33 VanDerWaalsContact C-N 3.27Å; R31-L33 PolarHBondContact O-N 2.96Å; L33-E37 HydrophobicContact CB-CB 4.16Å; L33-E37 HydrophobicContact CD1-CB 4.47Å; L33-I38 HydrophobicContact CB-CD1 4.43Å; L33-I38 HydrophobicContact CB-CG1 3.87Å | ||
| 34 | S | 95.4 | Very high | 94.7 | Very high | 51 Ų | 51 | 96.6 Ų | 96.6 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | trans | -67.6 | 160.1 | 171.5 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | E36 E37 I38 | S34-E36 PolarHBondContact O-N 3.31Å; S34-E37 VanDerWaalsContact CB-OE2 3.25Å; S34-E37 WeakPolarHBondContact CB-OE2 3.49Å; S34-E37 PolarHBondContact N-OE2 3.37Å; S34-E37 PolarHBondContact O-N 2.98Å; S34-E37 VanDerWaalsContact OG-CD 3.26Å; S34-E37 VanDerWaalsContact OG-CG 3.24Å; S34-E37 WeakPolarHBondContact OG-CG 3.32Å; S34-E37 PolarHBondContact OG-N 3.38Å; S34-E37 PolarHBondContact OG-OE2 3.13Å; S34-I38 VanDerWaalsContact O-CG1 3.27Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.43Å | ||
| 35 | K | 95.4 | Very high | 94.7 | Very high | 172 Ų | 172 | 87.1 Ų | 87.1 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.6 | -37.3 | 179 | -173.4 | -180 | 177.6 | -175.2 | 0 | 112.3 | L39 | K35-L39 HydrophobicContact CG-CD1 4.49Å; K35-L39 WeakPolarHBondContact O-CG 3.28Å; K35-L39 PolarHBondContact O-N 3.44Å; K35-L39 VanDerWaalsContact O-N 3.11Å |
| 36 | E | 94.9 | Very high | 94.9 | Very high | 145 Ų | 145 | 90 Ų | 90 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.6 | -45.7 | -179.6 | -74.9 | 155.3 | -168.5 | 0 | 0 | 111.5 | S34 I38 L39 Q40 | S34-E36 PolarHBondContact O-N 3.31Å; E36-I38 VanDerWaalsContact C-N 3.33Å; E36-I38 PolarHBondContact O-N 3.11Å; E36-L39 PolarHBondContact O-N 3.09Å; E36-Q40 WeakPolarHBondContact O-CG 3.33Å; E36-Q40 PolarHBondContact O-N 3.18Å |
| 37 | E | 92.9 | Very high | 95 | Very high | 89 Ų | 89 | 92.7 Ų | 92.7 | 42% | 0.416 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.2 | -69.8 | 165.6 | 128.9 | 0 | 0 | 111.6 | L33 S34 L39 Q40 L41 | L33-E37 HydrophobicContact CB-CB 4.16Å; L33-E37 HydrophobicContact CD1-CB 4.47Å; S34-E37 VanDerWaalsContact CB-OE2 3.25Å; S34-E37 WeakPolarHBondContact CB-OE2 3.49Å; S34-E37 PolarHBondContact N-OE2 3.37Å; S34-E37 PolarHBondContact O-N 2.98Å; S34-E37 VanDerWaalsContact OG-CD 3.26Å; S34-E37 VanDerWaalsContact OG-CG 3.24Å; S34-E37 WeakPolarHBondContact OG-CG 3.32Å; S34-E37 PolarHBondContact OG-N 3.38Å; S34-E37 PolarHBondContact OG-OE2 3.13Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.4Å; E37-Q40 PolarHBondContact O-N 2.95Å; E37-L41 WeakPolarHBondContact O-CB 3.31Å; E37-L41 PolarHBondContact O-N 3.46Å |
| 38 | I | 94.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 89.8 Ų | 89.8 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 176 | -67.7 | 168.4 | 0 | 0 | 0 | 111 | L30 L33 S34 E36 K42 | L30-I38 HydrophobicContact CB-CG1 4.31Å; L30-I38 HydrophobicContact CD1-CG2 4.15Å; L30-I38 HydrophobicContact CD2-CB 4.31Å; L30-I38 HydrophobicContact CD2-CG1 4.08Å; L30-I38 HydrophobicContact CD2-CG2 4.15Å; L33-I38 HydrophobicContact CB-CD1 4.43Å; L33-I38 HydrophobicContact CB-CG1 3.87Å; S34-I38 VanDerWaalsContact O-CG1 3.27Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.43Å; E36-I38 VanDerWaalsContact C-N 3.33Å; E36-I38 PolarHBondContact O-N 3.11Å; I38-K42 HydrophobicContact CG2-CD 4.12Å; I38-K42 WeakPolarHBondContact O-CB 3.33Å; I38-K42 WeakPolarHBondContact O-CG 3.49Å; I38-K42 PolarHBondContact O-N 2.93Å |
| 39 | L | 95.9 | Very high | 95.3 | Very high | 105 Ų | 105 | 87.4 Ų | 87.4 | 55% | 0.55 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.9 | -77 | 169.1 | 0 | 0 | 0 | 111.3 | K35 E36 E37 L41 K42 Q43 | K35-L39 HydrophobicContact CG-CD1 4.49Å; K35-L39 WeakPolarHBondContact O-CG 3.28Å; K35-L39 PolarHBondContact O-N 3.44Å; K35-L39 VanDerWaalsContact O-N 3.11Å; E36-L39 PolarHBondContact O-N 3.09Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.4Å; L39-L41 PolarHBondContact O-N 2.91Å; L39-K42 PolarHBondContact O-N 3.39Å; L39-Q43 VanDerWaalsContact O-CB 3.31Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.26Å |
| 40 | Q | 94.8 | Very high | 95.6 | Very high | 139 Ų | 139 | 87 Ų | 87 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 177.4 | -71.8 | -178.4 | 3.3 | 0 | 0 | 111.8 | E36 E37 Q43 R44 | E36-Q40 WeakPolarHBondContact O-CG 3.33Å; E36-Q40 PolarHBondContact O-N 3.18Å; E37-Q40 PolarHBondContact O-N 2.95Å; Q40-Q43 PolarHBondContact O-N 3.36Å; Q40-R44 WeakPolarHBondContact O-CB 3.38Å; Q40-R44 PolarHBondContact O-N 3.44Å |
| 41 | L | 95 | Very high | 95.8 | Very high | 30 Ų | 30 | 94 Ų | 94 | 16% | 0.157 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | -178.7 | -157.3 | 73.9 | 0 | 0 | 0 | 112 | L13 L18 L26 L30 E37 L39 R44 R45 | L13-L41 HydrophobicContact CD2-CD1 4.35Å; L13-L41 HydrophobicContact CD2-CD2 4.38Å; L18-L41 HydrophobicContact CD1-CD1 4.47Å; L18-L41 HydrophobicContact CD1-CD2 4.44Å; L18-L41 HydrophobicContact CD1-CG 4.07Å; L18-L41 HydrophobicContact CD2-CD1 4.26Å; L18-L41 HydrophobicContact CD2-CG 4.49Å; L26-L41 HydrophobicContact CD1-CD2 3.94Å; L30-L41 HydrophobicContact CD2-CB 4.26Å; L30-L41 HydrophobicContact CD2-CD2 3.67Å; E37-L41 WeakPolarHBondContact O-CB 3.31Å; E37-L41 PolarHBondContact O-N 3.46Å; L39-L41 PolarHBondContact O-N 2.91Å; L41-R44 PolarHBondContact O-N 3.06Å; L41-R45 WeakPolarHBondContact O-CB 3.46Å; L41-R45 PolarHBondContact O-N 3.41Å |
| 42 | K | 96 | Very high | 95.9 | Very high | 105 Ų | 105 | 86.8 Ų | 86.8 | 46% | 0.457 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.8 | -76.4 | -179.7 | 176.4 | 179.6 | 0 | 111.8 | I38 L39 R45 R46 | I38-K42 HydrophobicContact CG2-CD 4.12Å; I38-K42 WeakPolarHBondContact O-CB 3.33Å; I38-K42 WeakPolarHBondContact O-CG 3.49Å; I38-K42 PolarHBondContact O-N 2.93Å; L39-K42 PolarHBondContact O-N 3.39Å; K42-R45 PolarHBondContact O-N 3.4Å; K42-R46 WeakPolarHBondContact O-CB 3.19Å; K42-R46 PolarHBondContact O-N 3.04Å |
| 43 | Q | 97.1 | Very high | 96.3 | Very high | 102 Ų | 102 | 89.5 Ų | 89.5 | 48% | 0.477 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 178.5 | -176 | 59.2 | 22.6 | 0 | 0 | 111.4 | L39 Q40 R45 R46 T47 | L39-Q43 VanDerWaalsContact O-CB 3.31Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 PolarHBondContact O-N 3.26Å; Q40-Q43 PolarHBondContact O-N 3.36Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 2.88Å; Q43-R46 PolarHBondContact O-N 2.96Å; Q43-T47 PolarHBondContact O-N 3.42Å; Q43-T47 PolarHBondContact O-OG1 3.2Å; Q43-T47 VanDerWaalsContact O-OG1 3.14Å |
| 44 | R | 96.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 89.5 Ų | 89.5 | 39% | 0.389 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.3 | -49.8 | 173.4 | -176.1 | 177.8 | 170.1 | -157.6 | -2.7 | 110.4 | L13 D15 L18 Q40 L41 R46 T47 L48 | L13-R44 PolarHBondContact O-NH1 2.74Å; L13-R44 VanDerWaalsContact O-NH1 3.16Å; L13-R44 PolarHBondContact O-NH2 3.05Å; L13-R44 VanDerWaalsContact O-NH2 3.1Å; D15-R44 IonicContact OD1-CZ 2.67Å; D15-R44 IonicContact OD1-NE 3.85Å; D15-R44 PolarHBondContact OD1-NE 3.04Å; D15-R44 IonicContact OD1-NH2 3.58Å; D15-R44 PolarHBondContact OD1-NH2 3.14Å; L18-R44 HydrophobicContact CD2-CB 4.09Å; L18-R44 HydrophobicContact CD2-CG 3.81Å; Q40-R44 WeakPolarHBondContact O-CB 3.38Å; Q40-R44 PolarHBondContact O-N 3.44Å; L41-R44 PolarHBondContact O-N 3.06Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.09Å; R44-T47 PolarHBondContact O-N 3.23Å; R44-L48 HydrophobicContact CG-CD1 4.1Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.11Å; R44-L48 PolarHBondContact O-N 3.28Å |
| 45 | R | 97.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 89.7 Ų | 89.7 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 176.5 | -170.6 | 172.4 | -172.3 | -167.7 | -9.1 | 113 | L18 V19 M21 S22 L41 K42 Q43 L48 K49 | L18-R45 HydrophobicContact CD1-CB 3.88Å; L18-R45 HydrophobicContact CD1-CG 4.11Å; L18-R45 HydrophobicContact CD2-CB 4.08Å; L18-R45 HydrophobicContact CG-CB 3.81Å; L18-R45 HydrophobicContact CG-CG 4.03Å; L18-R45 WeakPolarHBondContact O-CD 3.44Å; L18-R45 WeakPolarHBondContact O-CG 3.42Å; L18-R45 PolarHBondContact O-NE 3.42Å; V19-R45 PolarHBondContact O-NH2 2.9Å; M21-R45 PolarHBondContact O-NH2 3.13Å; S22-R45 PolarHBondContact O-NH1 3.45Å; L41-R45 WeakPolarHBondContact O-CB 3.46Å; L41-R45 PolarHBondContact O-N 3.41Å; K42-R45 PolarHBondContact O-N 3.4Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 2.88Å; R45-L48 PolarHBondContact O-N 3.46Å; R45-K49 VanDerWaalsContact NH2-NZ 3.15Å; R45-K49 PolarHBondContact O-N 3.24Å |
| 46 | R | 98.1 | Very high | 96.8 | Very high | 160 Ų | 160 | 85.1 Ų | 85.1 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 178.5 | -175.8 | 179.9 | -176.4 | -176.4 | 0.8 | 111.3 | K42 Q43 R44 L48 K49 N50 | K42-R46 WeakPolarHBondContact O-CB 3.19Å; K42-R46 PolarHBondContact O-N 3.04Å; Q43-R46 PolarHBondContact O-N 2.96Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.09Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 3.03Å; R46-K49 PolarHBondContact O-N 2.99Å; R46-N50 WeakPolarHBondContact O-CB 3.5Å; R46-N50 VanDerWaalsContact O-CG 3.28Å; R46-N50 PolarHBondContact O-N 3.11Å |
| 47 | T | 97.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 81.1 Ų | 81.1 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.9 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | Q43 R44 N50 R51 | Q43-T47 PolarHBondContact O-N 3.42Å; Q43-T47 PolarHBondContact O-OG1 3.2Å; Q43-T47 VanDerWaalsContact O-OG1 3.14Å; R44-T47 PolarHBondContact O-N 3.23Å; T47-N50 PolarHBondContact O-N 3.14Å; T47-R51 PolarHBondContact O-N 2.91Å |
| 48 | L | 97.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 85.3 Ų | 85.3 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 178.4 | -65 | 169.5 | 0 | 0 | 0 | 112.4 | D15 L18 V19 R44 R45 R46 N50 R51 G52 | D15-L48 HydrophobicContact CB-CD1 3.73Å; D15-L48 HydrophobicContact CB-CD2 4.02Å; D15-L48 WeakPolarHBondContact OD1-CD1 3.39Å; D15-L48 WeakPolarHBondContact OD2-CD2 3.39Å; L18-L48 HydrophobicContact CD2-CD1 4.1Å; V19-L48 HydrophobicContact CG2-CB 3.32Å; V19-L48 HydrophobicContact CG2-CD1 3.93Å; V19-L48 HydrophobicContact CG2-CG 4.24Å; R44-L48 HydrophobicContact CG-CD1 4.1Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.11Å; R44-L48 PolarHBondContact O-N 3.28Å; R45-L48 PolarHBondContact O-N 3.46Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 3.03Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.43Å; L48-R51 VanDerWaalsContact O-CB 3.32Å; L48-R51 WeakPolarHBondContact O-CB 3.25Å; L48-R51 PolarHBondContact O-N 3.13Å; L48-G52 PolarHBondContact O-N 3.25Å; L48-G52 VanDerWaalsContact O-N 3.11Å |
| 49 | K | 97.8 | Very high | 97.4 | Very high | 66 Ų | 66 | 87.8 Ų | 87.8 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.6 | -78.5 | -168.8 | 170.6 | -172.2 | 0 | 112.2 | V19 R45 R46 R51 G52 Y53 | V19-K49 HydrophobicContact CG1-CG 4.21Å; V19-K49 WeakPolarHBondContact O-CE 3.22Å; R45-K49 VanDerWaalsContact NH2-NZ 3.15Å; R45-K49 PolarHBondContact O-N 3.24Å; R46-K49 PolarHBondContact O-N 2.99Å; K49-R51 VanDerWaalsContact C-N 3.28Å; K49-R51 PolarHBondContact O-N 3.33Å; K49-G52 WeakPolarHBondContact O-CA 3.5Å; K49-G52 PolarHBondContact O-N 2.57Å; K49-G52 VanDerWaalsContact O-N 3.09Å; K49-Y53 HydrophobicContact CB-CE2 3.98Å; K49-Y53 VanDerWaalsContact O-CD2 3.25Å; K49-Y53 WeakPolarHBondContact O-CD2 3.47Å; K49-Y53 PolarHBondContact O-N 3.37Å |
| 50 | N | 97.9 | Very high | 97.5 | Very high | 84 Ų | 84 | 89.3 Ų | 89.3 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 176.2 | -77.1 | -7.6 | 0 | 0 | 0 | 112.4 | R46 T47 L48 G52 Y53 A54 | R46-N50 WeakPolarHBondContact O-CB 3.5Å; R46-N50 VanDerWaalsContact O-CG 3.28Å; R46-N50 PolarHBondContact O-N 3.11Å; T47-N50 PolarHBondContact O-N 3.14Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.43Å; N50-G52 VanDerWaalsContact C-N 3.35Å; N50-Y53 PolarHBondContact O-N 2.85Å; N50-A54 WeakPolarHBondContact O-CB 3.41Å; N50-A54 PolarHBondContact O-N 3.29Å |
| 51 | R | 97.8 | Very high | 97.7 | Very high | 159 Ų | 159 | 90.4 Ų | 90.4 | 60% | 0.6 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 171.7 | -172.7 | -173.6 | -68.3 | 155 | -2.9 | 110.9 | T47 L48 K49 A54 A55 | T47-R51 PolarHBondContact O-N 2.91Å; L48-R51 VanDerWaalsContact O-CB 3.32Å; L48-R51 WeakPolarHBondContact O-CB 3.25Å; L48-R51 PolarHBondContact O-N 3.13Å; K49-R51 VanDerWaalsContact C-N 3.28Å; K49-R51 PolarHBondContact O-N 3.33Å; R51-A54 PolarHBondContact O-N 3.18Å; R51-A55 PolarHBondContact O-N 2.87Å; R51-A55 VanDerWaalsContact O-N 3.13Å |
| 52 | G | 97.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 92.7 Ų | 92.7 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L48 K49 N50 A54 A55 S56 | L48-G52 PolarHBondContact O-N 3.25Å; L48-G52 VanDerWaalsContact O-N 3.11Å; K49-G52 WeakPolarHBondContact O-CA 3.5Å; K49-G52 PolarHBondContact O-N 2.57Å; K49-G52 VanDerWaalsContact O-N 3.09Å; N50-G52 VanDerWaalsContact C-N 3.35Å; G52-A54 VanDerWaalsContact C-N 3.3Å; G52-A54 PolarHBondContact O-N 3.07Å; G52-A55 WeakPolarHBondContact O-CB 3.46Å; G52-A55 PolarHBondContact O-N 2.95Å; G52-A55 VanDerWaalsContact O-N 3.13Å; G52-S56 PolarHBondContact O-N 3.49Å; G52-S56 PolarHBondContact O-OG 3.48Å |
| 53 | Y | 98.1 | Very high | 98 | Very high | 146 Ų | 146 | 91.3 Ų | 91.3 | 57% | 0.573 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.7 | -37.3 | 177.5 | -62.2 | -39.7 | 0 | 0 | 0 | 113 | K49 N50 C57 | K49-Y53 HydrophobicContact CB-CE2 3.98Å; K49-Y53 VanDerWaalsContact O-CD2 3.25Å; K49-Y53 WeakPolarHBondContact O-CD2 3.47Å; K49-Y53 PolarHBondContact O-N 3.37Å; N50-Y53 PolarHBondContact O-N 2.85Å; Y53-C57 VanDerWaalsContact O-CB 3.22Å; Y53-C57 WeakPolarHBondContact O-CB 3.45Å; Y53-C57 PolarHBondContact O-N 2.76Å |
| 54 | A | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 91.7 Ų | 91.7 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N50 R51 G52 C57 R58 | N50-A54 WeakPolarHBondContact O-CB 3.41Å; N50-A54 PolarHBondContact O-N 3.29Å; R51-A54 PolarHBondContact O-N 3.18Å; G52-A54 VanDerWaalsContact C-N 3.3Å; G52-A54 PolarHBondContact O-N 3.07Å; A54-C57 PolarHBondContact O-N 3.08Å; A54-R58 WeakPolarHBondContact O-CG 3.33Å; A54-R58 PolarHBondContact O-N 3.37Å; A54-R58 VanDerWaalsContact O-N 3.14Å |
| 55 | A | 97.9 | Very high | 98.2 | Very high | 54 Ų | 54 | 92.8 Ų | 92.8 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -50 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R51 G52 C57 R58 V59 | R51-A55 PolarHBondContact O-N 2.87Å; R51-A55 VanDerWaalsContact O-N 3.13Å; G52-A55 WeakPolarHBondContact O-CB 3.46Å; G52-A55 PolarHBondContact O-N 2.95Å; G52-A55 VanDerWaalsContact O-N 3.13Å; A55-C57 VanDerWaalsContact C-N 3.26Å; A55-C57 PolarHBondContact O-N 3.05Å; A55-R58 WeakPolarHBondContact O-CB 3.38Å; A55-R58 PolarHBondContact O-N 3.31Å; A55-R58 VanDerWaalsContact O-N 3.11Å; A55-V59 PolarHBondContact O-N 3.45Å |
| 56 | S | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -35.6 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | G52 V59 K60 | G52-S56 PolarHBondContact O-N 3.49Å; G52-S56 PolarHBondContact O-OG 3.48Å; S56-V59 PolarHBondContact O-N 2.92Å; S56-K60 VanDerWaalsContact O-CB 3.3Å; S56-K60 WeakPolarHBondContact O-CB 2.87Å; S56-K60 PolarHBondContact O-N 3.07Å |
| 57 | C | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 93.5 Ų | 93.5 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | Y53 A54 A55 R61 | Y53-C57 VanDerWaalsContact O-CB 3.22Å; Y53-C57 WeakPolarHBondContact O-CB 3.45Å; Y53-C57 PolarHBondContact O-N 2.76Å; A54-C57 PolarHBondContact O-N 3.08Å; A55-C57 VanDerWaalsContact C-N 3.26Å; A55-C57 PolarHBondContact O-N 3.05Å; C57-R61 WeakPolarHBondContact O-CB 3.4Å; C57-R61 PolarHBondContact O-N 3.13Å |
| 58 | R | 98.6 | Very high | 98.3 | Very high | 177 Ų | 177 | 95.6 Ų | 95.6 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 175.9 | -67.3 | 173.5 | -157.5 | -102.4 | 3.6 | 111 | A54 A55 R61 V62 | A54-R58 WeakPolarHBondContact O-CG 3.33Å; A54-R58 PolarHBondContact O-N 3.37Å; A54-R58 VanDerWaalsContact O-N 3.14Å; A55-R58 WeakPolarHBondContact O-CB 3.38Å; A55-R58 PolarHBondContact O-N 3.31Å; A55-R58 VanDerWaalsContact O-N 3.11Å; R58-R61 PolarHBondContact O-N 3.37Å; R58-V62 WeakPolarHBondContact O-CG2 3.24Å; R58-V62 PolarHBondContact O-N 3.12Å |
| 59 | V | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 99.9 Ų | 99.9 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.5 | -52.4 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | A55 S56 R61 V62 T63 | A55-V59 PolarHBondContact O-N 3.45Å; S56-V59 PolarHBondContact O-N 2.92Å; V59-R61 VanDerWaalsContact C-N 3.26Å; V59-R61 PolarHBondContact O-N 3Å; V59-V62 PolarHBondContact O-N 3.22Å; V59-V62 VanDerWaalsContact O-N 3.13Å; V59-T63 PolarHBondContact O-N 3.08Å; V59-T63 PolarHBondContact O-OG1 2.9Å; V59-T63 VanDerWaalsContact O-OG1 3.08Å |
| 60 | K | 98.7 | Very high | 98.4 | Very high | 138 Ų | 138 | 102.2 Ų | 102.2 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.1 | -41.3 | 179.5 | -172.7 | 175.5 | -177.7 | 178.6 | 0 | 112 | S56 Q64 | S56-K60 VanDerWaalsContact O-CB 3.3Å; S56-K60 WeakPolarHBondContact O-CB 2.87Å; S56-K60 PolarHBondContact O-N 3.07Å; K60-Q64 HydrophobicContact CG-CG 4.49Å; K60-Q64 VanDerWaalsContact O-CB 3.29Å; K60-Q64 WeakPolarHBondContact O-CB 3.43Å; K60-Q64 VanDerWaalsContact O-CG 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.33Å |
| 61 | R | 98.7 | Very high | 98.5 | Very high | 162 Ų | 162 | 102.2 Ų | 102.2 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.8 | -171.3 | -176.4 | -57.2 | 155.7 | 4.2 | 112.3 | C57 R58 V59 Q64 K65 | C57-R61 WeakPolarHBondContact O-CB 3.4Å; C57-R61 PolarHBondContact O-N 3.13Å; R58-R61 PolarHBondContact O-N 3.37Å; V59-R61 VanDerWaalsContact C-N 3.26Å; V59-R61 PolarHBondContact O-N 3Å; R61-Q64 PolarHBondContact O-N 3.49Å; R61-K65 WeakPolarHBondContact O-CB 3.29Å; R61-K65 PolarHBondContact O-N 3Å |
| 62 | V | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -50.4 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 110 | R58 V59 Q64 K65 E66 | R58-V62 WeakPolarHBondContact O-CG2 3.24Å; R58-V62 PolarHBondContact O-N 3.12Å; V59-V62 PolarHBondContact O-N 3.22Å; V59-V62 VanDerWaalsContact O-N 3.13Å; V62-Q64 VanDerWaalsContact C-N 3.32Å; V62-Q64 PolarHBondContact O-N 2.94Å; V62-K65 WeakPolarHBondContact O-CB 3.3Å; V62-K65 PolarHBondContact O-N 2.87Å; V62-K65 VanDerWaalsContact O-N 3.07Å; V62-E66 HydrophobicContact CG1-CG 4.38Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.34Å; V62-E66 WeakPolarHBondContact O-CG 3.4Å; V62-E66 PolarHBondContact O-N 2.97Å |
| 63 | T | 98.5 | Very high | 98.6 | Very high | 76 Ų | 76 | 103.1 Ų | 103.1 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | V59 K65 E66 E67 | V59-T63 PolarHBondContact O-N 3.08Å; V59-T63 PolarHBondContact O-OG1 2.9Å; V59-T63 VanDerWaalsContact O-OG1 3.08Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 3.48Å; T63-E66 PolarHBondContact O-N 3.43Å; T63-E67 WeakPolarHBondContact O-CB 3.43Å; T63-E67 PolarHBondContact O-N 2.92Å |
| 64 | Q | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.8 | -80.2 | -176 | -21.4 | 0 | 0 | 112.5 | K60 R61 V62 L68 | K60-Q64 HydrophobicContact CG-CG 4.49Å; K60-Q64 VanDerWaalsContact O-CB 3.29Å; K60-Q64 WeakPolarHBondContact O-CB 3.43Å; K60-Q64 VanDerWaalsContact O-CG 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.33Å; R61-Q64 PolarHBondContact O-N 3.49Å; V62-Q64 VanDerWaalsContact C-N 3.32Å; V62-Q64 PolarHBondContact O-N 2.94Å; Q64-L68 VanDerWaalsContact O-CG 3.29Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.22Å; Q64-L68 VanDerWaalsContact O-N 3.07Å |
| 65 | K | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 104 Ų | 104 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -48.6 | 176.3 | 179.1 | -175.6 | 166.8 | -172.7 | 0 | 111 | R61 V62 T63 E67 L68 E69 | R61-K65 WeakPolarHBondContact O-CB 3.29Å; R61-K65 PolarHBondContact O-N 3Å; V62-K65 WeakPolarHBondContact O-CB 3.3Å; V62-K65 PolarHBondContact O-N 2.87Å; V62-K65 VanDerWaalsContact O-N 3.07Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 3.48Å; K65-E67 VanDerWaalsContact C-N 3.32Å; K65-E67 PolarHBondContact O-N 3.26Å; K65-L68 PolarHBondContact O-N 3.07Å; K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 IonicContact NZ-OE1 3.11Å; K65-E69 WeakPolarHBondContact O-CG 3.46Å; K65-E69 PolarHBondContact O-N 3.5Å |
| 66 | E | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 179.4 | -70.7 | 169.6 | 169.4 | 0 | 0 | 111.7 | V62 T63 E69 K70 | V62-E66 HydrophobicContact CG1-CG 4.38Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.34Å; V62-E66 WeakPolarHBondContact O-CG 3.4Å; V62-E66 PolarHBondContact O-N 2.97Å; T63-E66 PolarHBondContact O-N 3.43Å; E66-E69 PolarHBondContact O-N 2.91Å; E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 3.45Å |
| 67 | E | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 109.1 Ų | 109.1 | 38% | 0.383 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.8 | -178.4 | 55.9 | -150.8 | 0 | 0 | 111.7 | T63 K65 E69 K70 Q71 | T63-E67 WeakPolarHBondContact O-CB 3.43Å; T63-E67 PolarHBondContact O-N 2.92Å; K65-E67 VanDerWaalsContact C-N 3.32Å; K65-E67 PolarHBondContact O-N 3.26Å; E67-E69 PolarHBondContact O-N 2.98Å; E67-K70 PolarHBondContact O-N 3.5Å; E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.39Å; E67-Q71 PolarHBondContact O-N 3.28Å; E67-Q71 PolarHBondContact OE1-NE2 2.91Å |
| 68 | L | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 111.5 Ų | 111.5 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 174.5 | -72.4 | 171.6 | 0 | 0 | 0 | 112.3 | Q64 K65 Q71 K72 | Q64-L68 VanDerWaalsContact O-CG 3.29Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.22Å; Q64-L68 VanDerWaalsContact O-N 3.07Å; K65-L68 PolarHBondContact O-N 3.07Å; L68-Q71 PolarHBondContact O-N 3.43Å; L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.45Å |
| 69 | E | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.7 | -74.8 | 175.5 | 168.7 | 0 | 0 | 111.4 | K65 E66 E67 K72 A73 | K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 IonicContact NZ-OE1 3.11Å; K65-E69 WeakPolarHBondContact O-CG 3.46Å; K65-E69 PolarHBondContact O-N 3.5Å; E66-E69 PolarHBondContact O-N 2.91Å; E67-E69 PolarHBondContact O-N 2.98Å; E69-K72 PolarHBondContact O-N 2.94Å; E69-A73 WeakPolarHBondContact O-CB 3.29Å; E69-A73 PolarHBondContact O-N 2.95Å |
| 70 | K | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 173.6 | -177.8 | -175.7 | 174 | -169 | 0 | 111.9 | E66 E67 K72 A73 Q74 | E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 3.45Å; E67-K70 PolarHBondContact O-N 3.5Å; K70-K72 VanDerWaalsContact C-N 3.33Å; K70-K72 PolarHBondContact O-N 3.34Å; K70-A73 PolarHBondContact O-N 2.97Å; K70-Q74 WeakPolarHBondContact O-CG 3.31Å; K70-Q74 PolarHBondContact O-N 3Å |
| 71 | Q | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 105.9 Ų | 105.9 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 177.2 | -73.2 | 174.7 | 11.5 | 0 | 0 | 111.5 | E67 L68 A73 Q74 L75 | E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.39Å; E67-Q71 PolarHBondContact O-N 3.28Å; E67-Q71 PolarHBondContact OE1-NE2 2.91Å; L68-Q71 PolarHBondContact O-N 3.43Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; Q71-A73 PolarHBondContact O-N 2.91Å; Q71-Q74 PolarHBondContact O-N 3.46Å; Q71-L75 WeakPolarHBondContact O-CG 3.43Å; Q71-L75 PolarHBondContact O-N 3.21Å |
| 72 | K | 98.6 | Very high | 98.7 | Very high | 154 Ų | 154 | 102.5 Ų | 102.5 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.9 | -45.8 | 174.4 | -179.1 | -176.4 | 174.6 | -175.8 | 0 | 111.6 | L68 E69 K70 L75 Q76 | L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.45Å; E69-K72 PolarHBondContact O-N 2.94Å; K70-K72 VanDerWaalsContact C-N 3.33Å; K70-K72 PolarHBondContact O-N 3.34Å; K72-L75 PolarHBondContact O-N 2.96Å; K72-Q76 WeakPolarHBondContact O-CB 3.36Å; K72-Q76 PolarHBondContact O-N 3.41Å |
| 73 | A | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 101.6 Ų | 101.6 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E69 K70 Q71 Q76 Q77 | E69-A73 WeakPolarHBondContact O-CB 3.29Å; E69-A73 PolarHBondContact O-N 2.95Å; K70-A73 PolarHBondContact O-N 2.97Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; Q71-A73 PolarHBondContact O-N 2.91Å; A73-Q76 PolarHBondContact O-N 3.48Å; A73-Q77 PolarHBondContact O-N 3.33Å |
| 74 | Q | 98.7 | Very high | 98.7 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.4 | -72.9 | 176.4 | -21.5 | 0 | 0 | 112 | K70 Q71 Q76 Q77 E78 | K70-Q74 WeakPolarHBondContact O-CG 3.31Å; K70-Q74 PolarHBondContact O-N 3Å; Q71-Q74 PolarHBondContact O-N 3.46Å; Q74-Q76 VanDerWaalsContact C-N 3.33Å; Q74-Q76 PolarHBondContact O-N 3.45Å; Q74-Q77 WeakPolarHBondContact O-CB 3.38Å; Q74-Q77 PolarHBondContact O-N 3.39Å; Q74-E78 PolarHBondContact O-N 3.45Å |
| 75 | L | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 177.5 | -72.2 | 172 | 0 | 0 | 0 | 111.8 | Q71 K72 Q77 E78 V79 | Q71-L75 WeakPolarHBondContact O-CG 3.43Å; Q71-L75 PolarHBondContact O-N 3.21Å; K72-L75 PolarHBondContact O-N 2.96Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; L75-Q77 PolarHBondContact O-N 2.94Å; L75-E78 PolarHBondContact O-N 2.96Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.5Å |
| 76 | Q | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.1 | -172.8 | 61.1 | 56.6 | 0 | 0 | 111.3 | K72 A73 Q74 E78 V79 D80 | K72-Q76 WeakPolarHBondContact O-CB 3.36Å; K72-Q76 PolarHBondContact O-N 3.41Å; A73-Q76 PolarHBondContact O-N 3.48Å; Q74-Q76 VanDerWaalsContact C-N 3.33Å; Q74-Q76 PolarHBondContact O-N 3.45Å; Q76-E78 VanDerWaalsContact C-N 3.29Å; Q76-E78 PolarHBondContact O-N 3.27Å; Q76-V79 PolarHBondContact O-N 2.85Å; Q76-D80 PolarHBondContact NE2-OD1 2.95Å; Q76-D80 PolarHBondContact O-N 3.26Å |
| 77 | Q | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 96.3 Ų | 96.3 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 176 | -174 | -177.4 | 6.5 | 0 | 0 | 112 | A73 Q74 L75 D80 K81 | A73-Q77 PolarHBondContact O-N 3.33Å; Q74-Q77 WeakPolarHBondContact O-CB 3.38Å; Q74-Q77 PolarHBondContact O-N 3.39Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; L75-Q77 PolarHBondContact O-N 2.94Å; Q77-D80 PolarHBondContact O-N 3.5Å; Q77-K81 WeakPolarHBondContact O-CB 3.36Å; Q77-K81 PolarHBondContact O-N 3.47Å |
| 78 | E | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 176.9 | -172.8 | 170.5 | -170.6 | 0 | 0 | 112 | Q74 L75 Q76 D80 K81 L82 | Q74-E78 PolarHBondContact O-N 3.45Å; L75-E78 PolarHBondContact O-N 2.96Å; Q76-E78 VanDerWaalsContact C-N 3.29Å; Q76-E78 PolarHBondContact O-N 3.27Å; E78-D80 PolarHBondContact O-N 3.05Å; E78-K81 PolarHBondContact O-N 3.38Å; E78-L82 HydrophobicContact CG-CD1 4.16Å; E78-L82 WeakPolarHBondContact O-CB 3.2Å; E78-L82 VanDerWaalsContact O-CG 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.46Å; E78-L82 PolarHBondContact O-N 3.26Å |
| 79 | V | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 95.1 Ų | 95.1 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 173.5 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L75 Q76 K81 L82 A83 | L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.5Å; Q76-V79 PolarHBondContact O-N 2.85Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-K81 PolarHBondContact O-N 2.97Å; V79-L82 PolarHBondContact O-N 3.01Å; V79-A83 VanDerWaalsContact O-CB 3.31Å; V79-A83 WeakPolarHBondContact O-CB 3.49Å; V79-A83 PolarHBondContact O-N 2.85Å |
| 80 | D | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 95.9 Ų | 95.9 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | -178.4 | -63.8 | -17.3 | 0 | 0 | 0 | 111.7 | Q76 Q77 E78 A83 T84 | Q76-D80 PolarHBondContact NE2-OD1 2.95Å; Q76-D80 PolarHBondContact O-N 3.26Å; Q77-D80 PolarHBondContact O-N 3.5Å; E78-D80 PolarHBondContact O-N 3.05Å; D80-A83 PolarHBondContact O-N 2.89Å; D80-T84 PolarHBondContact O-N 2.94Å; D80-T84 PolarHBondContact O-OG1 3.21Å |
| 81 | K | 98.7 | Very high | 98.7 | Very high | 123 Ų | 123 | 95.4 Ų | 95.4 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -52.3 | 173.7 | -179.7 | 177.2 | -179.4 | -74.4 | 0 | 111.1 | Q77 E78 V79 A83 T84 E85 | Q77-K81 WeakPolarHBondContact O-CB 3.36Å; Q77-K81 PolarHBondContact O-N 3.47Å; E78-K81 PolarHBondContact O-N 3.38Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-K81 PolarHBondContact O-N 2.97Å; K81-A83 VanDerWaalsContact C-N 3.32Å; K81-A83 PolarHBondContact O-N 3.45Å; K81-T84 WeakPolarHBondContact O-CB 3.43Å; K81-T84 PolarHBondContact O-N 3.37Å; K81-E85 VanDerWaalsContact CE-OE1 3.3Å; K81-E85 WeakPolarHBondContact CE-OE1 3.22Å; K81-E85 WeakPolarHBondContact CG-OE1 3.31Å; K81-E85 IonicContact NZ-OE1 2.83Å; K81-E85 PolarHBondContact NZ-OE1 2.97Å; K81-E85 IonicContact NZ-OE2 2.64Å; K81-E85 WeakPolarHBondContact O-CG 3.46Å; K81-E85 PolarHBondContact O-N 2.67Å |
| 82 | L | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | -179.9 | -70.7 | 173.3 | 0 | 0 | 0 | 112.1 | E78 V79 T84 E85 N86 | E78-L82 HydrophobicContact CG-CD1 4.16Å; E78-L82 WeakPolarHBondContact O-CB 3.2Å; E78-L82 VanDerWaalsContact O-CG 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.46Å; E78-L82 PolarHBondContact O-N 3.26Å; V79-L82 PolarHBondContact O-N 3.01Å; L82-T84 VanDerWaalsContact C-N 3.33Å; L82-T84 PolarHBondContact O-N 2.97Å; L82-E85 PolarHBondContact O-N 3.48Å; L82-N86 WeakPolarHBondContact O-CB 3.32Å; L82-N86 PolarHBondContact O-N 3.42Å |
| 83 | A | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V79 D80 K81 N86 A87 | V79-A83 VanDerWaalsContact O-CB 3.31Å; V79-A83 WeakPolarHBondContact O-CB 3.49Å; V79-A83 PolarHBondContact O-N 2.85Å; D80-A83 PolarHBondContact O-N 2.89Å; K81-A83 VanDerWaalsContact C-N 3.32Å; K81-A83 PolarHBondContact O-N 3.45Å; A83-N86 PolarHBondContact O-N 3.33Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.46Å |
| 84 | T | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 95.3 Ų | 95.3 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D80 K81 L82 N86 A87 S88 | D80-T84 PolarHBondContact O-N 2.94Å; D80-T84 PolarHBondContact O-OG1 3.21Å; K81-T84 WeakPolarHBondContact O-CB 3.43Å; K81-T84 PolarHBondContact O-N 3.37Å; L82-T84 VanDerWaalsContact C-N 3.33Å; L82-T84 PolarHBondContact O-N 2.97Å; T84-N86 VanDerWaalsContact C-N 3.34Å; T84-N86 PolarHBondContact O-N 3.15Å; T84-A87 PolarHBondContact O-N 3.35Å; T84-S88 PolarHBondContact O-N 3.01Å |
| 85 | E | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 92.7 Ų | 92.7 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.2 | -71.8 | 173 | -173.1 | 0 | 0 | 111.6 | K81 L82 S88 M89 | K81-E85 VanDerWaalsContact CE-OE1 3.3Å; K81-E85 WeakPolarHBondContact CE-OE1 3.22Å; K81-E85 WeakPolarHBondContact CG-OE1 3.31Å; K81-E85 IonicContact NZ-OE1 2.83Å; K81-E85 PolarHBondContact NZ-OE1 2.97Å; K81-E85 IonicContact NZ-OE2 2.64Å; K81-E85 WeakPolarHBondContact O-CG 3.46Å; K81-E85 PolarHBondContact O-N 2.67Å; L82-E85 PolarHBondContact O-N 3.48Å; E85-S88 PolarHBondContact O-N 2.98Å; E85-M89 HydrophobicContact CB-CE 4.06Å; E85-M89 WeakPolarHBondContact O-CE 3.45Å; E85-M89 WeakPolarHBondContact O-CG 3.42Å; E85-M89 PolarHBondContact O-N 3.39Å |
| 86 | N | 98.6 | Very high | 98.6 | Very high | 79 Ų | 79 | 93.3 Ų | 93.3 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.2 | -166.6 | -25.7 | 0 | 0 | 0 | 111.9 | L82 A83 T84 M89 K90 | L82-N86 WeakPolarHBondContact O-CB 3.32Å; L82-N86 PolarHBondContact O-N 3.42Å; A83-N86 PolarHBondContact O-N 3.33Å; T84-N86 VanDerWaalsContact C-N 3.34Å; T84-N86 PolarHBondContact O-N 3.15Å; N86-M89 PolarHBondContact O-N 3.18Å; N86-K90 WeakPolarHBondContact O-CG 3.45Å; N86-K90 PolarHBondContact O-N 2.93Å; N86-K90 WeakPolarHBondContact OD1-CE 3.41Å |
| 87 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 96 Ų | 96 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A83 T84 K90 V91 | A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 3.46Å; T84-A87 PolarHBondContact O-N 3.35Å; A87-K90 PolarHBondContact O-N 3.45Å; A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 3.3Å |
| 88 | S | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 175.8 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | T84 E85 K90 V91 E92 | T84-S88 PolarHBondContact O-N 3.01Å; E85-S88 PolarHBondContact O-N 2.98Å; S88-K90 VanDerWaalsContact C-N 3.31Å; S88-K90 PolarHBondContact O-N 3.01Å; S88-V91 PolarHBondContact O-N 2.92Å; S88-V91 VanDerWaalsContact O-N 3.15Å; S88-E92 PolarHBondContact O-N 3.34Å; S88-E92 PolarHBondContact OG-OE1 3.3Å |
| 89 | M | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 179.1 | -76.8 | -174 | -94.2 | 0 | 0 | 112.5 | E85 N86 E92 L93 | E85-M89 HydrophobicContact CB-CE 4.06Å; E85-M89 WeakPolarHBondContact O-CE 3.45Å; E85-M89 WeakPolarHBondContact O-CG 3.42Å; E85-M89 PolarHBondContact O-N 3.39Å; N86-M89 PolarHBondContact O-N 3.18Å; M89-E92 PolarHBondContact O-N 3.46Å; M89-L93 VanDerWaalsContact O-CB 3.25Å; M89-L93 WeakPolarHBondContact O-CB 3.25Å; M89-L93 PolarHBondContact O-N 3.37Å |
| 90 | K | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 97.3 Ų | 97.3 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.6 | -76 | 174.4 | 178.4 | 172.9 | 0 | 111.9 | N86 A87 S88 L93 D94 | N86-K90 WeakPolarHBondContact O-CG 3.45Å; N86-K90 PolarHBondContact O-N 2.93Å; N86-K90 WeakPolarHBondContact OD1-CE 3.41Å; A87-K90 PolarHBondContact O-N 3.45Å; S88-K90 VanDerWaalsContact C-N 3.31Å; S88-K90 PolarHBondContact O-N 3.01Å; K90-L93 PolarHBondContact O-N 3.45Å; K90-D94 PolarHBondContact O-N 3.48Å |
| 91 | V | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 98.1 Ų | 98.1 | 62% | 0.624 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | A87 S88 L93 D94 A95 | A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 3.3Å; S88-V91 PolarHBondContact O-N 2.92Å; S88-V91 VanDerWaalsContact O-N 3.15Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 2.97Å; V91-D94 PolarHBondContact O-N 3.4Å; V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 3.3Å |
| 92 | E | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 95.2 Ų | 95.2 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 177.1 | -72 | 175.1 | -149.8 | 0 | 0 | 112.2 | S88 M89 A95 L96 | S88-E92 PolarHBondContact O-N 3.34Å; S88-E92 PolarHBondContact OG-OE1 3.3Å; M89-E92 PolarHBondContact O-N 3.46Å; E92-A95 PolarHBondContact O-N 2.93Å; E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 3.33Å |
| 93 | L | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 178 | -163.7 | 167.9 | 0 | 0 | 0 | 110.9 | M89 K90 V91 A95 L96 R97 | M89-L93 VanDerWaalsContact O-CB 3.25Å; M89-L93 WeakPolarHBondContact O-CB 3.25Å; M89-L93 PolarHBondContact O-N 3.37Å; K90-L93 PolarHBondContact O-N 3.45Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 2.97Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.4Å; L93-L96 PolarHBondContact O-N 3.4Å; L93-R97 VanDerWaalsContact CD2-CD 3.45Å; L93-R97 HydrophobicContact CD2-CG 3.85Å; L93-R97 WeakPolarHBondContact O-CG 3.36Å; L93-R97 PolarHBondContact O-N 3.29Å |
| 94 | D | 98.4 | Very high | 98 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178 | -71.9 | -21 | 0 | 0 | 0 | 111.8 | K90 V91 L96 R97 S98 | K90-D94 PolarHBondContact O-N 3.48Å; V91-D94 PolarHBondContact O-N 3.4Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 3.39Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NH1 3.66Å; D94-S98 PolarHBondContact O-N 3.47Å |
| 95 | A | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 94.4 Ų | 94.4 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | V91 E92 L93 S98 K99 | V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 3.3Å; E92-A95 PolarHBondContact O-N 2.93Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.4Å; A95-S98 PolarHBondContact O-N 3.5Å; A95-K99 WeakPolarHBondContact O-CG 3.49Å; A95-K99 PolarHBondContact O-N 2.86Å; A95-K99 VanDerWaalsContact O-N 3.14Å |
| 96 | L | 98.3 | Very high | 97.6 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -41.7 | 177.7 | -171.4 | 62 | 0 | 0 | 0 | 111.9 | E92 L93 D94 S98 K99 Y100 | E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.4Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 3.39Å; L96-S98 PolarHBondContact O-N 3.5Å; L96-K99 PolarHBondContact O-N 2.95Å; L96-Y100 WeakPolarHBondContact O-CB 3.49Å; L96-Y100 PolarHBondContact O-N 3.14Å |
| 97 | R | 98.1 | Very high | 97.4 | Very high | 152 Ų | 152 | 96 Ų | 96 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.2 | -46.6 | 173.2 | -80.3 | 175.9 | 172.2 | 157.9 | 0.8 | 111.5 | L93 D94 K99 Y100 E101 | L93-R97 VanDerWaalsContact CD2-CD 3.45Å; L93-R97 HydrophobicContact CD2-CG 3.85Å; L93-R97 WeakPolarHBondContact O-CG 3.36Å; L93-R97 PolarHBondContact O-N 3.29Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NH1 3.66Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.19Å; R97-Y100 WeakPolarHBondContact O-CB 3.5Å; R97-Y100 PolarHBondContact O-N 3.48Å; R97-E101 WeakPolarHBondContact O-CG 3.48Å; R97-E101 PolarHBondContact O-N 3.04Å |
| 98 | S | 98.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 99 Ų | 99 | 57% | 0.573 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | D94 A95 L96 E101 A102 | D94-S98 PolarHBondContact O-N 3.47Å; A95-S98 PolarHBondContact O-N 3.5Å; L96-S98 PolarHBondContact O-N 3.5Å; S98-E101 PolarHBondContact O-N 2.9Å; S98-A102 WeakPolarHBondContact O-CB 3.48Å; S98-A102 PolarHBondContact O-N 3.18Å |
| 99 | K | 97.6 | Very high | 96.7 | Very high | 148 Ų | 148 | 100.4 Ų | 100.4 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 175.5 | -71.3 | 171.6 | -176.6 | 174.8 | 0 | 111.8 | A95 L96 R97 A102 L103 | A95-K99 WeakPolarHBondContact O-CG 3.49Å; A95-K99 PolarHBondContact O-N 2.86Å; A95-K99 VanDerWaalsContact O-N 3.14Å; L96-K99 PolarHBondContact O-N 2.95Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.19Å; K99-A102 PolarHBondContact O-N 3.3Å; K99-L103 PolarHBondContact O-N 3.33Å |
| 100 | Y | 97.9 | Very high | 96.2 | Very high | 135 Ų | 135 | 99.5 Ų | 99.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.4 | 179.6 | -102.4 | 0 | 0 | 0 | 112.3 | L96 R97 A102 L103 Q104 | L96-Y100 WeakPolarHBondContact O-CB 3.49Å; L96-Y100 PolarHBondContact O-N 3.14Å; R97-Y100 WeakPolarHBondContact O-CB 3.5Å; R97-Y100 PolarHBondContact O-N 3.48Å; Y100-A102 PolarHBondContact O-N 3.48Å; Y100-L103 PolarHBondContact O-N 3.44Å; Y100-Q104 HydrophobicContact CD1-CG 4.36Å; Y100-Q104 HydrophobicContact CE1-CG 3.86Å; Y100-Q104 HydrophobicContact CE2-CG 4.45Å; Y100-Q104 VanDerWaalsContact CZ-NE2 3.26Å; Y100-Q104 PolarHBondContact O-N 2.96Å; Y100-Q104 PolarHBondContact OH-NE2 2.94Å |
| 101 | E | 97.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 97.6 Ų | 97.6 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -75.6 | -61.8 | 156.5 | 0 | 0 | 112.2 | R97 S98 L103 Q104 S105 R108 | R97-E101 WeakPolarHBondContact O-CG 3.48Å; R97-E101 PolarHBondContact O-N 3.04Å; S98-E101 PolarHBondContact O-N 2.9Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.36Å; E101-Q104 PolarHBondContact O-N 3.26Å; E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 3.36Å; E101-R108 IonicContact OE2-NH2 3.88Å |
| 102 | A | 96 | Very high | 93.9 | Very high | 61 Ų | 61 | 103 Ų | 103 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | S98 K99 Y100 S105 F106 | S98-A102 WeakPolarHBondContact O-CB 3.48Å; S98-A102 PolarHBondContact O-N 3.18Å; K99-A102 PolarHBondContact O-N 3.3Å; Y100-A102 PolarHBondContact O-N 3.48Å; A102-S105 PolarHBondContact O-N 3.48Å; A102-F106 WeakPolarHBondContact O-CB 3.35Å; A102-F106 PolarHBondContact O-N 2.85Å |
| 103 | L | 96.6 | Very high | 91.9 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 177.9 | -170.4 | 64.3 | 0 | 0 | 0 | 112.2 | K99 Y100 E101 F106 A107 | K99-L103 PolarHBondContact O-N 3.33Å; Y100-L103 PolarHBondContact O-N 3.44Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.36Å; L103-F106 PolarHBondContact O-N 2.88Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 3.38Å |
| 104 | Q | 96.4 | Very high | 89.7 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 27% | 0.271 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173.9 | -85.4 | -160.1 | -1.2 | 0 | 0 | 111.9 | Y100 E101 F106 A107 R108 | Y100-Q104 HydrophobicContact CD1-CG 4.36Å; Y100-Q104 HydrophobicContact CE1-CG 3.86Å; Y100-Q104 HydrophobicContact CE2-CG 4.45Å; Y100-Q104 VanDerWaalsContact CZ-NE2 3.26Å; Y100-Q104 PolarHBondContact O-N 2.96Å; Y100-Q104 PolarHBondContact OH-NE2 2.94Å; E101-Q104 PolarHBondContact O-N 3.26Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 3.23Å; Q104-A107 PolarHBondContact O-N 3.06Å; Q104-R108 WeakPolarHBondContact O-CB 3.43Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.93Å |
| 105 | S | 94.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 104.6 Ų | 104.6 | 42% | 0.42 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.3 | -44.1 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | E101 A102 R108 T109 | E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 3.36Å; A102-S105 PolarHBondContact O-N 3.48Å; S105-R108 PolarHBondContact O-N 3.45Å; S105-T109 WeakPolarHBondContact O-CB 3.44Å; S105-T109 PolarHBondContact O-N 3.41Å; S105-T109 PolarHBondContact O-OG1 3.35Å |
| 106 | F | 94.3 | Very high | 85.2 | Confident | 133 Ų | 133 | 107.3 Ų | 107.3 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.5 | -51.9 | 174.2 | 177.9 | -101.9 | 0 | 0 | 0 | 111.7 | A102 L103 Q104 R108 T109 V110 | A102-F106 WeakPolarHBondContact O-CB 3.35Å; A102-F106 PolarHBondContact O-N 2.85Å; L103-F106 PolarHBondContact O-N 2.88Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 3.23Å; F106-R108 VanDerWaalsContact C-N 3.32Å; F106-R108 PolarHBondContact O-N 3.11Å; F106-T109 PolarHBondContact O-N 2.89Å; F106-T109 VanDerWaalsContact O-N 3.11Å; F106-V110 HydrophobicContact CD1-CG2 4.32Å; F106-V110 HydrophobicContact CD2-CG2 4.38Å; F106-V110 HydrophobicContact CE1-CG2 3.91Å; F106-V110 HydrophobicContact CE2-CG2 3.97Å; F106-V110 HydrophobicContact CZ-CG2 3.72Å; F106-V110 WeakPolarHBondContact O-CG2 3.36Å; F106-V110 PolarHBondContact O-N 3.41Å |
| 107 | A | 93.9 | Very high | 82.5 | Confident | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.1 | -41.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L103 Q104 V110 A111 | L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 3.38Å; Q104-A107 PolarHBondContact O-N 3.06Å; A107-V110 PolarHBondContact O-N 2.78Å; A107-A111 WeakPolarHBondContact O-CB 2.83Å; A107-A111 PolarHBondContact O-N 3.39Å |
| 108 | R | 93.1 | Very high | 79.8 | Confident | 119 Ų | 119 | 104.4 Ų | 104.4 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 174.5 | -77.1 | -173.3 | -72.8 | -103.9 | 2.1 | 112.2 | E101 Q104 S105 F106 A111 R112 | E101-R108 IonicContact OE2-NH2 3.88Å; Q104-R108 WeakPolarHBondContact O-CB 3.43Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.93Å; S105-R108 PolarHBondContact O-N 3.45Å; F106-R108 VanDerWaalsContact C-N 3.32Å; F106-R108 PolarHBondContact O-N 3.11Å; R108-A111 PolarHBondContact O-N 3.34Å; R108-R112 VanDerWaalsContact O-CB 3.3Å; R108-R112 WeakPolarHBondContact O-CB 3.3Å; R108-R112 PolarHBondContact O-N 2.88Å |
| 109 | T | 89.2 | Confident | 77.4 | Confident | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -44.3 | 179 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | S105 F106 A111 R112 S113 | S105-T109 WeakPolarHBondContact O-CB 3.44Å; S105-T109 PolarHBondContact O-N 3.41Å; S105-T109 PolarHBondContact O-OG1 3.35Å; F106-T109 PolarHBondContact O-N 2.89Å; F106-T109 VanDerWaalsContact O-N 3.11Å; T109-A111 PolarHBondContact O-N 3.48Å; T109-R112 PolarHBondContact O-N 2.91Å; T109-S113 PolarHBondContact O-N 2.9Å |
| 110 | V | 87.9 | Confident | 74.6 | Confident | 88 Ų | 88 | 109 Ų | 109 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.3 | -42.3 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | F106 A107 | F106-V110 HydrophobicContact CD1-CG2 4.32Å; F106-V110 HydrophobicContact CD2-CG2 4.38Å; F106-V110 HydrophobicContact CE1-CG2 3.91Å; F106-V110 HydrophobicContact CE2-CG2 3.97Å; F106-V110 HydrophobicContact CZ-CG2 3.72Å; F106-V110 WeakPolarHBondContact O-CG2 3.36Å; F106-V110 PolarHBondContact O-N 3.41Å; A107-V110 PolarHBondContact O-N 2.78Å |
| 111 | A | 79.6 | Confident | 72.2 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.4 | -28.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A107 R108 T109 | A107-A111 WeakPolarHBondContact O-CB 2.83Å; A107-A111 PolarHBondContact O-N 3.39Å; R108-A111 PolarHBondContact O-N 3.34Å; T109-A111 PolarHBondContact O-N 3.48Å |
| 112 | R | 70.5 | Confident | 70 | Confident | 217 Ų | 217 | 112.8 Ų | 112.8 | 82% | 0.819 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88 | -2.1 | 178.3 | -85.3 | -173.1 | 168.7 | 179.1 | -2.6 | 114.8 | R108 T109 P114 | R108-R112 VanDerWaalsContact O-CB 3.3Å; R108-R112 WeakPolarHBondContact O-CB 3.3Å; R108-R112 PolarHBondContact O-N 2.88Å; T109-R112 PolarHBondContact O-N 2.91Å; R112-P114 WeakPolarHBondContact O-CD 3.33Å |
| 113 | S | 56 | Low | 67.2 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | trans | -89.7 | 82.9 | 160.4 | -106 | 0 | 0 | 0 | 0 | 107.9 | T109 V115 | T109-S113 PolarHBondContact O-N 2.9Å; S113-V115 PolarHBondContact O-N 3.45Å | ||
| 114 | P | 51.4 | Low | 65 | Low | 87 Ų | 87 | 114 Ų | 114 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | trans | -64.4 | 126.9 | 162.2 | 32.1 | -32.6 | 0 | 0 | 0 | 105.6 | R112 T116 | R112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-T116 HydrophobicContact CB-CG2 3.97Å; P114-T116 HydrophobicContact CG-CG2 4.01Å; P114-T116 PolarHBondContact O-N 3.38Å | ||
| 115 | V | 55.8 | Low | 62.2 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 93% | 0.927 | 70% | 0.696 | S | S | * | * | trans | -58.5 | 90.5 | 159.6 | 177.2 | 0 | 0 | 0 | 0 | 106.7 | S113 | S113-V115 PolarHBondContact O-N 3.45Š| ||
| 116 | T | 45.9 | Very low | 60 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -113.2 | 114.6 | 161.1 | 65.8 | 0 | 0 | 0 | 0 | 103.5 | P114 | P114-T116 HydrophobicContact CB-CG2 3.97Å; P114-T116 HydrophobicContact CG-CG2 4.01Å; P114-T116 PolarHBondContact O-N 3.38Å | ||
| 117 | T | 42.2 | Very low | 57.5 | Low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -172.1 | 148.7 | 49.4 | 45.1 | 0 | 0 | 0 | 0 | 107 | ||
| 118 | G | 41.7 | Very low | 55.2 | Low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | cis | -170.2 | 156.3 | 10.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 119 | R | 47.2 | Very low | 52.5 | Low | 262 Ų | 262 | 125 Ų | 125 | 99% | 0.989 | 76% | 0.756 | S | S | * | * | trans | -94.6 | 105.2 | 173.7 | -171.7 | 147.2 | 176.6 | 164.9 | -3.4 | 107.7 | ||||
| 120 | G | 39.6 | Very low | 50.6 | Low | 63 Ų | 63 | 128.6 Ų | 128.6 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -139.7 | 153.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 121 | P | 46.4 | Very low | 48.6 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 140.1 | -155.7 | 31.4 | -33.6 | 0 | 0 | 0 | 113.4 | A123 | P121-A123 PolarHBondContact O-N 3.08Š| ||
| 122 | M | 51.9 | Low | 46.9 | Very low | 192 Ų | 192 | 129 Ų | 129 | 95% | 0.946 | 78% | 0.781 | S | S | * | * | trans | 8.4 | 101.1 | 153.1 | -54 | -69.3 | -89.5 | 0 | 0 | 116.2 | ||||
| 123 | A | 37.8 | Very low | 45.8 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -141 | 112.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P121 V125 | P121-A123 PolarHBondContact O-N 3.08Å; A123-V125 PolarHBondContact O-N 3.29Å | ||
| 124 | S | 49.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -58.8 | 117.9 | 173.3 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 125 | V | 38.4 | Very low | 45.6 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -138 | 110.2 | 163.2 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | A123 | A123-V125 PolarHBondContact O-N 3.29Š| ||
| 126 | I | 47.1 | Very low | 45.5 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -76 | 118.7 | 170.4 | -65.8 | 165 | 0 | 0 | 0 | 107.4 | ||||
| 127 | G | 41.3 | Very low | 45.8 | Very low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 81% | 0.809 | S | S | * | * | trans | -169.7 | 141.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 128 | P | 46.2 | Very low | 46.3 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -79.4 | 125.9 | -169.4 | 30.9 | -31.5 | 0 | 0 | 0 | 111.3 | ||||
| 129 | L | 37.1 | Very low | 47.5 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -112.8 | 111.7 | 179.1 | -161.2 | 77.2 | 0 | 0 | 0 | 110.3 | ||||
| 130 | I | 48 | Very low | 47.9 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -94.1 | 119.4 | 161.4 | -58.9 | 168.8 | 0 | 0 | 0 | 106 | ||||
| 131 | P | 46.3 | Very low | 48.8 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | -151 | 148.2 | 107.6 | 33.7 | -13.7 | 0 | 0 | 0 | 112.3 | |||||
| 132 | G | 44.8 | Very low | 49.8 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | 110.5 | 108.6 | 61.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 133 | K | 46.1 | Very low | 50.2 | Low | 209 Ų | 209 | 126.4 Ų | 126.4 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 54.2 | 95.1 | 166.9 | -86.3 | 168.9 | 172.5 | 170.2 | 0 | 118.3 | A135 | K133-A135 PolarHBondContact O-N 3.01Š| ||
| 134 | V | 51.8 | Low | 51.1 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -62.7 | 115.5 | 151.9 | -79.4 | 0 | 0 | 0 | 0 | 109.3 | A136 | V134-A136 PolarHBondContact O-N 3.23Š| ||
| 135 | A | 52.4 | Low | 51.3 | Low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 128.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K133 T137 | K133-A135 PolarHBondContact O-N 3.01Å; A135-T137 PolarHBondContact O-N 3.29Å; A135-T137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | A | 54.7 | Low | 52.2 | Low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -59.9 | 111.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V134 S138 | V134-A136 PolarHBondContact O-N 3.23Å; A136-S138 PolarHBondContact O-N 3.39Å | ||
| 137 | T | 51 | Low | 52.6 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 102.7 | 168.1 | -42.5 | 0 | 0 | 0 | 0 | 108.2 | A135 V139 | A135-T137 PolarHBondContact O-N 3.29Å; A135-T137 VanDerWaalsContact O-N 3.08Å; T137-V139 PolarHBondContact O-N 2.89Å | ||
| 138 | S | 53.1 | Low | 52.8 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 113.1 | 177.5 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | A136 | A136-S138 PolarHBondContact O-N 3.39Š| ||
| 139 | V | 67.2 | Low | 53 | Low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -74.8 | 124 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | T137 | T137-V139 PolarHBondContact O-N 2.89Š| ||
| 140 | I | 55.3 | Low | 53.9 | Low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -87.6 | 112.4 | 175.7 | -58.8 | 174.1 | 0 | 0 | 0 | 108.3 | I142 | I140-I142 HydrophobicContact CG2-CG1 4.39Š| ||
| 141 | T | 58.2 | Low | 54 | Low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -82.4 | 113.8 | 171.3 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | V143 | T141-V143 HydrophobicContact CG2-CG2 4.49Š| ||
| 142 | I | 67.4 | Low | 54.4 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -90.3 | 106.1 | 171.4 | -58.6 | 175.3 | 0 | 0 | 0 | 107.9 | I140 K144 | I140-I142 HydrophobicContact CG2-CG1 4.39Å; I142-K144 PolarHBondContact O-N 3.5Å | ||
| 143 | V | 60.6 | Low | 54.9 | Low | 120 Ų | 120 | 145.1 Ų | 145.1 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -79.1 | 113.3 | 169 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | T141 S145 | T141-V143 HydrophobicContact CG2-CG2 4.49Å; V143-S145 PolarHBondContact O-N 3.36Å | ||
| 144 | K | 57 | Low | 55.4 | Low | 197 Ų | 197 | 141.6 Ų | 141.6 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -82.9 | 101.6 | 174.5 | -175.5 | 168.3 | -180 | 163.3 | 0 | 109.1 | I142 K146 | I142-K144 PolarHBondContact O-N 3.5Å; K144-K146 PolarHBondContact O-N 3.46Å | ||
| 145 | S | 54 | Low | 55.6 | Low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -72.1 | 116.1 | 171.5 | -43 | 0 | 0 | 0 | 0 | 109.4 | V143 T147 | V143-S145 PolarHBondContact O-N 3.36Å; S145-T147 PolarHBondContact O-N 2.94Å | ||
| 146 | K | 57.4 | Low | 55.8 | Low | 174 Ų | 174 | 144.1 Ų | 144.1 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | trans | -77.3 | 108.8 | 172.5 | -172.4 | 176.8 | 179.5 | -175.7 | 0 | 108.1 | K144 E148 | K144-K146 PolarHBondContact O-N 3.46Å; K146-E148 PolarHBondContact O-N 3.24Å | ||
| 147 | T | 53.9 | Low | 55.9 | Low | 139 Ų | 139 | 147.5 Ų | 147.5 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -72.2 | 104.6 | 166.3 | 24.9 | 0 | 0 | 0 | 0 | 108.3 | S145 A149 | S145-T147 PolarHBondContact O-N 2.94Å; T147-A149 PolarHBondContact O-N 2.76Å | ||
| 148 | E | 45.8 | Very low | 56.3 | Low | 162 Ų | 162 | 148.6 Ų | 148.6 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -74.9 | 108.2 | 165.6 | -70.9 | -158.2 | 145.6 | 0 | 0 | 108.8 | K146 R150 | K146-E148 PolarHBondContact O-N 3.24Å; E148-R150 PolarHBondContact O-N 3.36Å | ||
| 149 | A | 51.1 | Low | 56.5 | Low | 98 Ų | 98 | 151.8 Ų | 151.8 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -71.1 | 111.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T147 S151 | T147-A149 PolarHBondContact O-N 2.76Å; A149-S151 PolarHBondContact O-N 3.41Å | ||
| 150 | R | 55.1 | Low | 55.6 | Low | 244 Ų | 244 | 153.8 Ų | 153.8 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -82.3 | 110 | 172 | -165.7 | 175.1 | -179.8 | 180 | 0.1 | 107.5 | E148 | E148-R150 PolarHBondContact O-N 3.36Š| ||
| 151 | S | 51.4 | Low | 55.6 | Low | 187 Ų | 187 | 154.2 Ų | 154.2 | 100% | 1.308 | 84% | 0.839 | S | S | * | * | trans | -68.6 | 0 | 163.6 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | A149 | A149-S151 PolarHBondContact O-N 3.41Š|
Retrieved 151 of 151 residues in 317.8 ms
(Link to these results)