| 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 | 30.4 | Very low | 39.1 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 100% | 1.158 | 73% | 0.726 | S | S | * | * | 0 | 93.3 | 0 | -155.7 | 172.7 | 93.5 | 0 | 0 | 106.5 | Q3 | M1-Q3 PolarHBondContact O-N 3.43Š| |||
| 2 | E | 35.1 | Very low | 42 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -66 | 104.5 | -176.1 | -71.7 | -178.8 | 159.1 | 0 | 0 | 109.4 | R4 | E2-R4 PolarHBondContact O-N 3.4Š| ||
| 3 | Q | 30.8 | Very low | 44.6 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -64.7 | 89.8 | 160.6 | -80.9 | -176.1 | -26.1 | 0 | 0 | 107.3 | M1 L5 | M1-Q3 PolarHBondContact O-N 3.43Å; Q3-L5 PolarHBondContact O-N 3.16Å | ||
| 4 | R | 34.7 | Very low | 46.6 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | -59 | 93.7 | 151.7 | -75 | -173.4 | 174.2 | -163.5 | -3.1 | 105.7 | E2 S6 | E2-R4 PolarHBondContact O-N 3.4Å; R4-S6 PolarHBondContact O-N 2.74Å; R4-S6 PolarHBondContact O-OG 3.05Å | ||
| 5 | L | 31.6 | Very low | 48.4 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | trans | -67.9 | 64.7 | 158.7 | -87.4 | 160.4 | 0 | 0 | 0 | 107.5 | Q3 | Q3-L5 PolarHBondContact O-N 3.16Š| ||
| 6 | S | 32.2 | Very low | 50.3 | Low | 65 Ų | 65 | 141.9 Ų | 141.9 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | trans | -93.5 | 122.4 | 170.9 | 59 | 0 | 0 | 0 | 0 | 106.6 | R4 | R4-S6 PolarHBondContact O-N 2.74Å; R4-S6 PolarHBondContact O-OG 3.05Å | ||
| 7 | Y | 37.1 | Very low | 52 | Low | 179 Ų | 179 | 138.3 Ų | 138.3 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | trans | 72.4 | 105.4 | 168.6 | -47.4 | -77.9 | 0 | 0 | 0 | 114.7 | ||||
| 8 | I | 38 | Very low | 53.5 | Low | 167 Ų | 167 | 132 Ų | 132 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | -177.9 | 134 | 131.8 | -84.8 | 143.6 | 0 | 0 | 0 | 106.8 | ||||
| 9 | S | 40.7 | Very low | 55 | Low | 79 Ų | 79 | 131.2 Ų | 131.2 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 93.2 | 121.6 | 179.6 | 100.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 10 | L | 53.7 | Low | 56.3 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 63% | 0.633 | S | S | * | * | S | Bend | cis | -158.7 | 12.5 | 24.9 | -105.2 | 144.1 | 0 | 0 | 0 | 118.1 | ||
| 11 | N | 65.4 | Low | 57.5 | Low | 71 Ų | 71 | 126.1 Ų | 126.1 | 38% | 0.38 | 61% | 0.613 | S | S | . | * | trans | -159.1 | 113.4 | 174.2 | -158.4 | -31.1 | 0 | 0 | 0 | 116 | L13 R14 R15 | N11-L13 VanDerWaalsContact C-N 3.28Å; N11-L13 PolarHBondContact O-N 3.26Å; N11-L13 WeakPolarHBondContact OD1-CB 3.22Å; N11-L13 PolarHBondContact OD1-N 3.02Å; N11-R14 HydrophobicContact CB-CB 4.23Å; N11-R14 HydrophobicContact CB-CG 3.95Å; N11-R14 PolarHBondContact O-N 3.21Å; N11-R15 PolarHBondContact O-N 3.3Å | ||
| 12 | P | 74.5 | Confident | 59.9 | Low | 108 Ų | 108 | 116 Ų | 116 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.2 | -31.4 | 177.1 | 25.4 | -33.7 | 0 | 0 | 0 | 113.3 | R14 R15 L16 | P12-R14 VanDerWaalsContact C-N 3.33Å; P12-R14 PolarHBondContact O-N 2.85Å; P12-R15 PolarHBondContact O-N 3.06Å; P12-L16 PolarHBondContact O-N 3.44Å |
| 13 | L | 76 | Confident | 62.2 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 178 | -66 | 170.2 | 0 | 0 | 0 | 111.4 | N11 R15 L16 V17 | N11-L13 VanDerWaalsContact C-N 3.28Å; N11-L13 PolarHBondContact O-N 3.26Å; N11-L13 WeakPolarHBondContact OD1-CB 3.22Å; N11-L13 PolarHBondContact OD1-N 3.02Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.9Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.17Å |
| 14 | R | 72 | Confident | 64.6 | Low | 152 Ų | 152 | 111.7 Ų | 111.7 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 177 | -71.9 | -174.7 | -178 | 179.4 | 2.8 | 111.6 | N11 P12 L16 V17 L18 | N11-R14 HydrophobicContact CB-CB 4.23Å; N11-R14 HydrophobicContact CB-CG 3.95Å; N11-R14 PolarHBondContact O-N 3.21Å; P12-R14 VanDerWaalsContact C-N 3.33Å; P12-R14 PolarHBondContact O-N 2.85Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.33Å; R14-V17 PolarHBondContact O-N 3.16Å; R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 PolarHBondContact O-N 3Å |
| 15 | R | 74.2 | Confident | 66.7 | Low | 174 Ų | 174 | 102.9 Ų | 102.9 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 176.6 | -168.1 | 176.6 | -176.2 | -178 | 2.2 | 111.5 | N11 P12 L13 F19 | N11-R15 PolarHBondContact O-N 3.3Å; P12-R15 PolarHBondContact O-N 3.06Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 3.48Å; R15-F19 WeakPolarHBondContact O-CB 3.41Å; R15-F19 PolarHBondContact O-N 3.44Å |
| 16 | L | 78.8 | Confident | 69.1 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 176.7 | -173.4 | 67.5 | 0 | 0 | 0 | 111.9 | P12 L13 R14 F19 F20 | P12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 2.9Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.33Å; L16-F19 WeakPolarHBondContact O-CB 3.27Å; L16-F19 PolarHBondContact O-N 3.16Å; L16-F20 HydrophobicContact CD1-CD2 4.16Å; L16-F20 HydrophobicContact CD1-CE2 3.58Å; L16-F20 HydrophobicContact CD1-CZ 4.31Å; L16-F20 HydrophobicContact CD2-CE2 4.11Å; L16-F20 HydrophobicContact CG-CD2 3.92Å; L16-F20 HydrophobicContact CG-CE2 3.58Å; L16-F20 WeakPolarHBondContact O-CD2 3.22Å; L16-F20 PolarHBondContact O-N 3.42Å |
| 17 | V | 79.6 | Confident | 71.4 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L13 R14 F19 F20 V21 | L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.17Å; R14-V17 PolarHBondContact O-N 3.16Å; V17-F19 VanDerWaalsContact C-N 3.3Å; V17-F19 PolarHBondContact O-N 2.76Å; V17-F20 PolarHBondContact O-N 2.88Å; V17-F20 VanDerWaalsContact O-N 3.15Å; V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 WeakPolarHBondContact O-CG2 3.47Å; V17-V21 PolarHBondContact O-N 3.29Å |
| 18 | L | 78.9 | Confident | 73.3 | Confident | 25 Ų | 25 | 97 Ų | 97 | 13% | 0.131 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 176.6 | 177.9 | 65.3 | 0 | 0 | 0 | 111.4 | R14 F20 V21 I22 L100 | R14-L18 WeakPolarHBondContact O-CB 3.42Å; R14-L18 PolarHBondContact O-N 3Å; L18-F20 PolarHBondContact O-N 2.84Å; L18-V21 PolarHBondContact O-N 3.38Å; L18-I22 HydrophobicContact CD1-CD1 3.84Å; L18-I22 HydrophobicContact CD1-CG1 4.17Å; L18-I22 HydrophobicContact CD2-CD1 4.45Å; L18-I22 HydrophobicContact CG-CD1 3.76Å; L18-I22 HydrophobicContact CG-CG1 4.46Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.01Å; L18-L100 HydrophobicContact CD1-CD2 3.99Å; L18-L100 HydrophobicContact CD1-CG 4.32Å; L18-L100 HydrophobicContact CD2-CD2 4.01Å; L18-L100 HydrophobicContact CD2-CG 4.29Å |
| 19 | F | 80.6 | Confident | 75.2 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 175.5 | 174.8 | -96.2 | 0 | 0 | 0 | 111.9 | R15 L16 V17 I22 L23 | R15-F19 WeakPolarHBondContact O-CB 3.41Å; R15-F19 PolarHBondContact O-N 3.44Å; L16-F19 WeakPolarHBondContact O-CB 3.27Å; L16-F19 PolarHBondContact O-N 3.16Å; V17-F19 VanDerWaalsContact C-N 3.3Å; V17-F19 PolarHBondContact O-N 2.76Å; F19-I22 PolarHBondContact O-N 3.03Å; F19-L23 HydrophobicContact CE1-CD2 4.21Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.42Å; F19-L23 PolarHBondContact O-N 3.09Å |
| 20 | F | 82.7 | Confident | 77.1 | Confident | 119 Ų | 119 | 91.9 Ų | 91.9 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 177.9 | -77.1 | -62.8 | 0 | 0 | 0 | 113.3 | L16 V17 L18 R24 | L16-F20 HydrophobicContact CD1-CD2 4.16Å; L16-F20 HydrophobicContact CD1-CE2 3.58Å; L16-F20 HydrophobicContact CD1-CZ 4.31Å; L16-F20 HydrophobicContact CD2-CE2 4.11Å; L16-F20 HydrophobicContact CG-CD2 3.92Å; L16-F20 HydrophobicContact CG-CE2 3.58Å; L16-F20 WeakPolarHBondContact O-CD2 3.22Å; L16-F20 PolarHBondContact O-N 3.42Å; V17-F20 PolarHBondContact O-N 2.88Å; V17-F20 VanDerWaalsContact O-N 3.15Å; L18-F20 PolarHBondContact O-N 2.84Å; F20-R24 WeakPolarHBondContact O-CB 3.35Å; F20-R24 PolarHBondContact O-N 3.4Å |
| 21 | V | 80.4 | Confident | 78.4 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | V17 L18 R24 Y25 L108 | V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 WeakPolarHBondContact O-CG2 3.47Å; V17-V21 PolarHBondContact O-N 3.29Å; L18-V21 PolarHBondContact O-N 3.38Å; V21-R24 PolarHBondContact O-N 2.97Å; V21-Y25 WeakPolarHBondContact O-CB 3.41Å; V21-Y25 PolarHBondContact O-N 2.76Å; V21-L108 HydrophobicContact CG1-CD1 3.76Å |
| 22 | I | 81.5 | Confident | 79.4 | Confident | 22 Ų | 22 | 94 Ų | 94 | 11% | 0.113 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 178.3 | -66.5 | 166.1 | 0 | 0 | 0 | 110.6 | L18 F19 Y25 R26 F33 L35 M110 | L18-I22 HydrophobicContact CD1-CD1 3.84Å; L18-I22 HydrophobicContact CD1-CG1 4.17Å; L18-I22 HydrophobicContact CD2-CD1 4.45Å; L18-I22 HydrophobicContact CG-CD1 3.76Å; L18-I22 HydrophobicContact CG-CG1 4.46Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.01Å; F19-I22 PolarHBondContact O-N 3.03Å; I22-Y25 PolarHBondContact O-N 2.9Å; I22-R26 HydrophobicContact CG2-CG 4.31Å; I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 WeakPolarHBondContact O-CG 3.47Å; I22-R26 PolarHBondContact O-N 2.84Å; I22-F33 HydrophobicContact CG1-CE1 4.41Å; I22-F33 HydrophobicContact CG2-CD1 4.09Å; I22-F33 HydrophobicContact CG2-CE1 4.07Å; I22-L35 HydrophobicContact CD1-CB 4.37Å; I22-L35 HydrophobicContact CD1-CD1 3.51Å; I22-L35 HydrophobicContact CD1-CD2 3.71Å; I22-L35 HydrophobicContact CD1-CG 4.06Å; I22-L35 HydrophobicContact CG1-CD1 4.4Å; I22-M110 HydrophobicContact CG1-CE 4.48Å |
| 23 | L | 82.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 89.5 Ų | 89.5 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178.9 | -173.4 | 70.9 | 0 | 0 | 0 | 110.5 | F19 Y25 R26 T27 | F19-L23 HydrophobicContact CE1-CD2 4.21Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.42Å; F19-L23 PolarHBondContact O-N 3.09Å; L23-Y25 VanDerWaalsContact C-N 3.32Å; L23-Y25 PolarHBondContact O-N 3.21Å; L23-R26 PolarHBondContact O-N 3.03Å; L23-T27 WeakPolarHBondContact O-CG2 3.44Å; L23-T27 PolarHBondContact O-N 2.93Å; L23-T27 PolarHBondContact O-OG1 2.93Å; L23-T27 VanDerWaalsContact O-OG1 3.1Å |
| 24 | R | 80.9 | Confident | 80.4 | Confident | 178 Ų | 178 | 89.5 Ų | 89.5 | 67% | 0.672 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.7 | -46.8 | 176.1 | -176.3 | -179.4 | 175.4 | 113.3 | -0.8 | 110.9 | F20 V21 R26 T27 A28 | F20-R24 WeakPolarHBondContact O-CB 3.35Å; F20-R24 PolarHBondContact O-N 3.4Å; V21-R24 PolarHBondContact O-N 2.97Å; R24-R26 PolarHBondContact O-N 3.22Å; R24-T27 WeakPolarHBondContact CA-OG1 3.47Å; R24-T27 PolarHBondContact O-N 3.41Å; R24-T27 PolarHBondContact O-OG1 3.11Å; R24-A28 VanDerWaalsContact O-CB 3.32Å; R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.22Å |
| 25 | Y | 79.5 | Confident | 81 | Confident | 9 Ų | 9 | 84.8 Ų | 84.8 | 4% | 0.035 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 178 | 178.6 | -112.4 | 0 | 0 | 0 | 112.2 | V21 I22 L23 T27 A28 Y29 D30 F33 L108 L153 | V21-Y25 WeakPolarHBondContact O-CB 3.41Å; V21-Y25 PolarHBondContact O-N 2.76Å; I22-Y25 PolarHBondContact O-N 2.9Å; L23-Y25 VanDerWaalsContact C-N 3.32Å; L23-Y25 PolarHBondContact O-N 3.21Å; Y25-T27 VanDerWaalsContact C-N 3.31Å; Y25-T27 PolarHBondContact O-N 3.42Å; Y25-A28 PolarHBondContact O-N 3.17Å; Y25-Y29 AromaticContact CD2-CD2 3.65Å; Y25-Y29 HydrophobicContact CD2-CD2 3.65Å; Y25-Y29 HydrophobicContact CD2-CG 4.03Å; Y25-Y29 HydrophobicContact CE2-CD2 4.17Å; Y25-Y29 HydrophobicContact CE2-CG 4.09Å; Y25-Y29 PolarHBondContact O-N 2.97Å; Y25-D30 HydrophobicContact CE1-CB 3.86Å; Y25-D30 PolarHBondContact O-N 3.29Å; Y25-F33 HydrophobicContact CD1-CB 4.02Å; Y25-F33 AromaticContact CD1-CD1 3.98Å; Y25-F33 HydrophobicContact CD1-CD1 3.98Å; Y25-F33 HydrophobicContact CD1-CD2 4.14Å; Y25-F33 AromaticContact CD1-CG 3.77Å; Y25-F33 HydrophobicContact CD1-CG 3.77Å; Y25-F33 HydrophobicContact CE1-CB 3.77Å; Y25-F33 HydrophobicContact CE1-CD1 4.23Å; Y25-F33 AromaticContact CE1-CD2 3.56Å; Y25-F33 HydrophobicContact CE1-CD2 3.56Å; Y25-F33 HydrophobicContact CE1-CE2 4.18Å; Y25-F33 AromaticContact CE1-CG 3.58Å; Y25-F33 HydrophobicContact CE1-CG 3.58Å; Y25-L108 HydrophobicContact CD1-CD2 3.87Å; Y25-L108 HydrophobicContact CD2-CD2 3.44Å; Y25-L108 VanDerWaalsContact CD2-CD2 3.44Å; Y25-L108 HydrophobicContact CD2-CG 4.45Å; Y25-L108 HydrophobicContact CE1-CD2 3.89Å; Y25-L108 HydrophobicContact CE2-CD2 3.45Å; Y25-L108 VanDerWaalsContact CE2-CD2 3.45Å; Y25-L108 HydrophobicContact CG-CD2 3.62Å; Y25-L153 HydrophobicContact CD2-CD2 4.36Å; Y25-L153 HydrophobicContact CE2-CD2 3.71Å |
| 26 | R | 82.5 | Confident | 81.7 | Confident | 112 Ų | 112 | 82.4 Ų | 82.4 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.5 | -74 | -175.8 | 72.4 | -169.8 | 1.9 | 112.8 | I22 L23 R24 D30 K31 F33 | I22-R26 HydrophobicContact CG2-CG 4.31Å; I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 WeakPolarHBondContact O-CG 3.47Å; I22-R26 PolarHBondContact O-N 2.84Å; L23-R26 PolarHBondContact O-N 3.03Å; R24-R26 PolarHBondContact O-N 3.22Å; R26-D30 VanDerWaalsContact CA-O 3.26Å; R26-D30 WeakPolarHBondContact CA-O 3.36Å; R26-D30 CarbonylContact O-C 3.54Å; R26-K31 PolarHBondContact NE-O 3.19Å; R26-K31 PolarHBondContact NH2-O 3.21Å; R26-K31 VanDerWaalsContact NH2-O 3.12Å; R26-K31 WeakPolarHBondContact O-CA 3.4Å; R26-K31 WeakPolarHBondContact O-CG 3.35Å; R26-K31 PolarHBondContact O-N 3.3Å; R26-F33 WeakPolarHBondContact CD-O 3.35Å; R26-F33 HydrophobicContact CG-CB 4.04Å; R26-F33 HydrophobicContact CG-CD1 4.27Å; R26-F33 PolarHBondContact NE-O 3.36Å |
| 27 | T | 79.4 | Confident | 82.3 | Confident | 96 Ų | 96 | 82.7 Ų | 82.7 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.9 | -34.3 | -179.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | L23 R24 Y25 | L23-T27 WeakPolarHBondContact O-CG2 3.44Å; L23-T27 PolarHBondContact O-N 2.93Å; L23-T27 PolarHBondContact O-OG1 2.93Å; L23-T27 VanDerWaalsContact O-OG1 3.1Å; R24-T27 WeakPolarHBondContact CA-OG1 3.47Å; R24-T27 PolarHBondContact O-N 3.41Å; R24-T27 PolarHBondContact O-OG1 3.11Å; Y25-T27 VanDerWaalsContact C-N 3.31Å; Y25-T27 PolarHBondContact O-N 3.42Å |
| 28 | A | 78.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -99.3 | -27.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R24 Y25 | R24-A28 VanDerWaalsContact O-CB 3.32Å; R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.22Å; Y25-A28 PolarHBondContact O-N 3.17Å |
| 29 | Y | 77.5 | Confident | 83.3 | Confident | 93 Ų | 93 | 80.6 Ų | 80.6 | 37% | 0.365 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -54.5 | -168.7 | -55.6 | -83.2 | 0 | 0 | 0 | 113.2 | Y25 L153 Y157 | Y25-Y29 AromaticContact CD2-CD2 3.65Å; Y25-Y29 HydrophobicContact CD2-CD2 3.65Å; Y25-Y29 HydrophobicContact CD2-CG 4.03Å; Y25-Y29 HydrophobicContact CE2-CD2 4.17Å; Y25-Y29 HydrophobicContact CE2-CG 4.09Å; Y25-Y29 PolarHBondContact O-N 2.97Å; Y29-L153 HydrophobicContact CD1-CB 4.1Å; Y29-L153 HydrophobicContact CD1-CD1 4.29Å; Y29-L153 HydrophobicContact CD1-CD2 4.06Å; Y29-L153 HydrophobicContact CD1-CG 4.37Å; Y29-L153 HydrophobicContact CD2-CD1 4.28Å; Y29-L153 HydrophobicContact CE1-CB 3.81Å; Y29-L153 HydrophobicContact CE1-CD1 3.86Å; Y29-L153 HydrophobicContact CE1-CD2 4.41Å; Y29-L153 HydrophobicContact CE1-CG 4.23Å; Y29-L153 HydrophobicContact CE2-CD1 3.83Å; Y29-L153 HydrophobicContact CG-CD1 4.5Å; Y29-L153 HydrophobicContact CG-CD2 4.13Å; Y29-Y157 HydrophobicContact CD1-CE1 4.04Å |
| 30 | D | 79.5 | Confident | 83.9 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | trans | -137.4 | 96.6 | -174.8 | -179.1 | 1.5 | 0 | 0 | 0 | 112.3 | Y25 R26 T32 F33 | Y25-D30 HydrophobicContact CE1-CB 3.86Å; Y25-D30 PolarHBondContact O-N 3.29Å; R26-D30 VanDerWaalsContact CA-O 3.26Å; R26-D30 WeakPolarHBondContact CA-O 3.36Å; R26-D30 CarbonylContact O-C 3.54Å; D30-T32 PolarHBondContact O-N 2.84Å; D30-T32 VanDerWaalsContact O-N 3.17Å; D30-T32 WeakPolarHBondContact OD1-CA 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.26Å; D30-T32 PolarHBondContact OD1-N 2.99Å; D30-T32 PolarHBondContact OD1-OG1 2.92Å; D30-F33 HydrophobicContact CB-CB 4.15Å; D30-F33 WeakPolarHBondContact O-CB 3.49Å; D30-F33 PolarHBondContact O-N 2.85Å; D30-F33 PolarHBondContact OD1-N 3.01Å | ||
| 31 | K | 82.7 | Confident | 84.4 | Confident | 167 Ų | 167 | 75.7 Ų | 75.7 | 73% | 0.726 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.1 | 179.2 | -66 | -179.3 | -178.7 | 176.5 | 0 | 112.9 | R26 | R26-K31 PolarHBondContact NE-O 3.19Å; R26-K31 PolarHBondContact NH2-O 3.21Å; R26-K31 VanDerWaalsContact NH2-O 3.12Å; R26-K31 WeakPolarHBondContact O-CA 3.4Å; R26-K31 WeakPolarHBondContact O-CG 3.35Å; R26-K31 PolarHBondContact O-N 3.3Å |
| 32 | T | 85.4 | Confident | 85 | Confident | 107 Ų | 107 | 74 Ų | 74 | 66% | 0.656 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -12.5 | -176.3 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | D30 K34 | D30-T32 PolarHBondContact O-N 2.84Å; D30-T32 VanDerWaalsContact O-N 3.17Å; D30-T32 WeakPolarHBondContact OD1-CA 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.26Å; D30-T32 PolarHBondContact OD1-N 2.99Å; D30-T32 PolarHBondContact OD1-OG1 2.92Å; T32-K34 WeakPolarHBondContact O-CG 3.3Å; T32-K34 PolarHBondContact O-N 3.06Å |
| 33 | F | 85 | Confident | 85.6 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | trans | -53.5 | 122.5 | -179.9 | -179.6 | -95 | 0 | 0 | 0 | 112.5 | I22 Y25 R26 D30 L35 F38 M110 W161 | I22-F33 HydrophobicContact CG1-CE1 4.41Å; I22-F33 HydrophobicContact CG2-CD1 4.09Å; I22-F33 HydrophobicContact CG2-CE1 4.07Å; Y25-F33 HydrophobicContact CD1-CB 4.02Å; Y25-F33 AromaticContact CD1-CD1 3.98Å; Y25-F33 HydrophobicContact CD1-CD1 3.98Å; Y25-F33 HydrophobicContact CD1-CD2 4.14Å; Y25-F33 AromaticContact CD1-CG 3.77Å; Y25-F33 HydrophobicContact CD1-CG 3.77Å; Y25-F33 HydrophobicContact CE1-CB 3.77Å; Y25-F33 HydrophobicContact CE1-CD1 4.23Å; Y25-F33 AromaticContact CE1-CD2 3.56Å; Y25-F33 HydrophobicContact CE1-CD2 3.56Å; Y25-F33 HydrophobicContact CE1-CE2 4.18Å; Y25-F33 AromaticContact CE1-CG 3.58Å; Y25-F33 HydrophobicContact CE1-CG 3.58Å; R26-F33 WeakPolarHBondContact CD-O 3.35Å; R26-F33 HydrophobicContact CG-CB 4.04Å; R26-F33 HydrophobicContact CG-CD1 4.27Å; R26-F33 PolarHBondContact NE-O 3.36Å; D30-F33 HydrophobicContact CB-CB 4.15Å; D30-F33 WeakPolarHBondContact O-CB 3.49Å; D30-F33 PolarHBondContact O-N 2.85Å; D30-F33 PolarHBondContact OD1-N 3.01Å; F33-L35 HydrophobicContact CE1-CD1 4.46Å; F33-F38 HydrophobicContact CE2-CB 3.74Å; F33-F38 AromaticContact CE2-CD2 3.97Å; F33-F38 HydrophobicContact CE2-CD2 3.97Å; F33-F38 HydrophobicContact CE2-CG 4.08Å; F33-F38 HydrophobicContact CZ-CB 3.64Å; F33-F38 HydrophobicContact CZ-CD2 4.16Å; F33-F38 AromaticContact CZ-CG 3.9Å; F33-F38 HydrophobicContact CZ-CG 3.9Å; F33-M110 HydrophobicContact CE1-CE 3.93Å; F33-M110 HydrophobicContact CE2-CE 4.3Å; F33-M110 HydrophobicContact CZ-CE 3.44Å; F33-M110 VanDerWaalsContact CZ-CE 3.44Å; F33-M110 HydrophobicContact CZ-SD 4.13Å; F33-W161 HydrophobicContact CE2-CZ2 4.01Å | ||
| 34 | K | 86.2 | Confident | 86.2 | Confident | 117 Ų | 117 | 74.9 Ų | 74.9 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | trans | -115.9 | 131.7 | 171.9 | -57.5 | -172.1 | -154 | 142.6 | 0 | 110.1 | T32 E36 E37 F38 | T32-K34 WeakPolarHBondContact O-CG 3.3Å; T32-K34 PolarHBondContact O-N 3.06Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 PolarHBondContact O-N 3.3Å; K34-E37 HydrophobicContact CB-CB 4.23Å; K34-E37 HydrophobicContact CB-CG 4.03Å; K34-E37 HydrophobicContact CD-CG 4.41Å; K34-E37 WeakPolarHBondContact CD-OE1 3.39Å; K34-E37 WeakPolarHBondContact CE-OE1 3.47Å; K34-E37 IonicContact NZ-OE1 3.63Å; K34-E37 PolarHBondContact NZ-OE1 3.08Å; K34-E37 PolarHBondContact O-N 2.91Å; K34-F38 PolarHBondContact O-N 2.88Å; K34-F38 VanDerWaalsContact O-N 3.07Å | ||
| 35 | L | 85.7 | Confident | 86.9 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 28% | 0.277 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | -179.3 | -171.6 | 62.1 | 0 | 0 | 0 | 112.6 | I22 F33 F38 E39 L100 | I22-L35 HydrophobicContact CD1-CB 4.37Å; I22-L35 HydrophobicContact CD1-CD1 3.51Å; I22-L35 HydrophobicContact CD1-CD2 3.71Å; I22-L35 HydrophobicContact CD1-CG 4.06Å; I22-L35 HydrophobicContact CG1-CD1 4.4Å; F33-L35 HydrophobicContact CE1-CD1 4.46Å; L35-F38 WeakPolarHBondContact O-CB 3.45Å; L35-F38 PolarHBondContact O-N 3.1Å; L35-E39 WeakPolarHBondContact O-CG 3.12Å; L35-E39 PolarHBondContact O-N 2.83Å; L35-L100 HydrophobicContact CD1-CD2 3.41Å; L35-L100 VanDerWaalsContact CD1-CD2 3.41Å; L35-L100 HydrophobicContact CG-CD2 4.34Å |
| 36 | E | 88 | Confident | 87.7 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 58% | 0.575 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 179.3 | -177.5 | 174 | -166.2 | 0 | 0 | 112.1 | K34 F38 E39 Q40 | K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 PolarHBondContact O-N 3.3Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-E39 PolarHBondContact O-N 3.07Å; E36-Q40 WeakPolarHBondContact O-CG 3.28Å; E36-Q40 PolarHBondContact O-N 3.14Å |
| 37 | E | 90.6 | Very high | 88.2 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.7 | -67 | 172.1 | -179.6 | 0 | 0 | 110.5 | K34 Q40 G41 | K34-E37 HydrophobicContact CB-CB 4.23Å; K34-E37 HydrophobicContact CB-CG 4.03Å; K34-E37 HydrophobicContact CD-CG 4.41Å; K34-E37 WeakPolarHBondContact CD-OE1 3.39Å; K34-E37 WeakPolarHBondContact CE-OE1 3.47Å; K34-E37 IonicContact NZ-OE1 3.63Å; K34-E37 PolarHBondContact NZ-OE1 3.08Å; K34-E37 PolarHBondContact O-N 2.91Å; E37-Q40 PolarHBondContact O-N 2.69Å; E37-G41 PolarHBondContact O-N 2.96Å |
| 38 | F | 90.3 | Very high | 89 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 172.9 | 174.8 | -89.8 | 0 | 0 | 0 | 112.2 | F33 K34 L35 E36 Q40 G41 A42 L100 M110 M112 L149 W161 | F33-F38 HydrophobicContact CE2-CB 3.74Å; F33-F38 AromaticContact CE2-CD2 3.97Å; F33-F38 HydrophobicContact CE2-CD2 3.97Å; F33-F38 HydrophobicContact CE2-CG 4.08Å; F33-F38 HydrophobicContact CZ-CB 3.64Å; F33-F38 HydrophobicContact CZ-CD2 4.16Å; F33-F38 AromaticContact CZ-CG 3.9Å; F33-F38 HydrophobicContact CZ-CG 3.9Å; K34-F38 PolarHBondContact O-N 2.88Å; K34-F38 VanDerWaalsContact O-N 3.07Å; L35-F38 WeakPolarHBondContact O-CB 3.45Å; L35-F38 PolarHBondContact O-N 3.1Å; E36-F38 VanDerWaalsContact C-N 3.33Å; F38-Q40 VanDerWaalsContact C-N 3.28Å; F38-Q40 PolarHBondContact O-N 2.71Å; F38-G41 PolarHBondContact O-N 3.16Å; F38-A42 HydrophobicContact CE1-CB 4.1Å; F38-A42 HydrophobicContact CZ-CB 4.24Å; F38-A42 VanDerWaalsContact O-CB 3.28Å; F38-A42 WeakPolarHBondContact O-CB 3.05Å; F38-A42 PolarHBondContact O-N 2.72Å; F38-L100 HydrophobicContact CE1-CD1 4.11Å; F38-M110 HydrophobicContact CD1-SD 3.59Å; F38-M110 VanDerWaalsContact CD1-SD 3.59Å; F38-M110 HydrophobicContact CD2-SD 4.04Å; F38-M110 HydrophobicContact CE1-CB 3.69Å; F38-M110 HydrophobicContact CE1-CG 4.16Å; F38-M110 HydrophobicContact CE1-SD 3.38Å; F38-M110 WeakPolarHBondContact CE1-SD 3.18Å; F38-M110 HydrophobicContact CE2-CB 4.18Å; F38-M110 HydrophobicContact CE2-CG 4.44Å; F38-M110 HydrophobicContact CE2-SD 3.83Å; F38-M110 HydrophobicContact CG-SD 3.94Å; F38-M110 HydrophobicContact CZ-CB 3.32Å; F38-M110 HydrophobicContact CZ-CG 3.92Å; F38-M110 HydrophobicContact CZ-SD 3.51Å; F38-M110 VanDerWaalsContact CZ-SD 3.51Å; F38-M112 HydrophobicContact CE1-SD 4.36Å; F38-L149 HydrophobicContact CE2-CB 4.44Å; F38-L149 HydrophobicContact CZ-CB 4.29Å; F38-L149 HydrophobicContact CZ-CD1 4Å; F38-W161 HydrophobicContact CD2-CD2 4.3Å; F38-W161 AromaticContact CD2-CE2 3.84Å; F38-W161 HydrophobicContact CD2-CH2 4.28Å; F38-W161 AromaticContact CD2-CZ2 3.84Å; F38-W161 HydrophobicContact CD2-CZ2 3.84Å; F38-W161 AromaticContact CE2-CD2 3.73Å; F38-W161 HydrophobicContact CE2-CD2 3.73Å; F38-W161 AromaticContact CE2-CE2 3.69Å; F38-W161 AromaticContact CE2-CE3 3.85Å; F38-W161 HydrophobicContact CE2-CE3 3.85Å; F38-W161 HydrophobicContact CE2-CG 4.36Å; F38-W161 AromaticContact CE2-CH2 3.74Å; F38-W161 HydrophobicContact CE2-CH2 3.74Å; F38-W161 AromaticContact CE2-CZ2 3.71Å; F38-W161 HydrophobicContact CE2-CZ2 3.71Å; F38-W161 AromaticContact CE2-CZ3 3.86Å; F38-W161 HydrophobicContact CE2-CZ3 3.86Å; F38-W161 HydrophobicContact CZ-CH2 4.45Å; F38-W161 HydrophobicContact CZ-CZ3 4.41Å |
| 39 | E | 90.8 | Very high | 89.8 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -37 | 179.5 | -75.5 | -173.8 | -171.2 | 0 | 0 | 112.2 | L35 E36 L43 R98 M112 | L35-E39 WeakPolarHBondContact O-CG 3.12Å; L35-E39 PolarHBondContact O-N 2.83Å; E36-E39 PolarHBondContact O-N 3.07Å; E39-L43 WeakPolarHBondContact O-CB 3.37Å; E39-L43 PolarHBondContact O-N 3.41Å; E39-R98 IonicContact OE2-NE 2.9Å; E39-R98 IonicContact OE2-NH2 2.76Å; E39-M112 HydrophobicContact CB-CE 4.5Å; E39-M112 HydrophobicContact CG-CE 4.2Å |
| 40 | Q | 92.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 174.3 | -71.3 | 176.5 | 4.3 | 0 | 0 | 111.5 | E36 E37 F38 A42 L43 Q44 | E36-Q40 WeakPolarHBondContact O-CG 3.28Å; E36-Q40 PolarHBondContact O-N 3.14Å; E37-Q40 PolarHBondContact O-N 2.69Å; F38-Q40 VanDerWaalsContact C-N 3.28Å; F38-Q40 PolarHBondContact O-N 2.71Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.25Å; Q40-L43 PolarHBondContact O-N 2.92Å; Q40-Q44 WeakPolarHBondContact O-CG 3.45Å; Q40-Q44 PolarHBondContact O-N 3.27Å |
| 41 | G | 93 | Very high | 91.5 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E37 F38 Q44 A45 | E37-G41 PolarHBondContact O-N 2.96Å; F38-G41 PolarHBondContact O-N 3.16Å; G41-Q44 WeakPolarHBondContact O-CB 3.23Å; G41-Q44 PolarHBondContact O-N 3.38Å; G41-Q44 VanDerWaalsContact O-N 3.16Å; G41-A45 PolarHBondContact O-N 2.93Å |
| 42 | A | 93.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F38 Q40 Q44 F46 M112 Y114 L149 | F38-A42 HydrophobicContact CE1-CB 4.1Å; F38-A42 HydrophobicContact CZ-CB 4.24Å; F38-A42 VanDerWaalsContact O-CB 3.28Å; F38-A42 WeakPolarHBondContact O-CB 3.05Å; F38-A42 PolarHBondContact O-N 2.72Å; Q40-A42 VanDerWaalsContact C-N 3.31Å; Q40-A42 PolarHBondContact O-N 3.25Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-F46 WeakPolarHBondContact O-CB 3.24Å; A42-F46 PolarHBondContact O-N 2.97Å; A42-M112 HydrophobicContact CB-CG 3.79Å; A42-Y114 PolarHBondContact O-OH 3.31Å; A42-L149 HydrophobicContact CB-CD1 3.73Å |
| 43 | L | 94.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | 171.5 | 178 | 61.9 | 0 | 0 | 0 | 110.6 | E39 Q40 F46 Y47 E92 V95 Y114 | E39-L43 WeakPolarHBondContact O-CB 3.37Å; E39-L43 PolarHBondContact O-N 3.41Å; Q40-L43 PolarHBondContact O-N 2.92Å; L43-F46 HydrophobicContact CD1-CD1 4.28Å; L43-F46 WeakPolarHBondContact O-CB 3.38Å; L43-F46 PolarHBondContact O-N 3.23Å; L43-Y47 WeakPolarHBondContact O-CD1 3.44Å; L43-Y47 PolarHBondContact O-N 3.28Å; L43-E92 HydrophobicContact CD2-CG 4.1Å; L43-V95 HydrophobicContact CD1-CG2 4.26Å; L43-Y114 HydrophobicContact CD1-CD1 4.4Å; L43-Y114 HydrophobicContact CD1-CE1 4Å; L43-Y114 PolarHBondContact N-OH 3.23Å |
| 44 | Q | 94.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 44.2 Ų | 44.2 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.9 | -50.5 | 174.5 | -68.6 | 179.1 | -8.1 | 0 | 0 | 112.7 | Q40 G41 A42 F46 Y47 V48 | Q40-Q44 WeakPolarHBondContact O-CG 3.45Å; Q40-Q44 PolarHBondContact O-N 3.27Å; G41-Q44 WeakPolarHBondContact O-CB 3.23Å; G41-Q44 PolarHBondContact O-N 3.38Å; G41-Q44 VanDerWaalsContact O-N 3.16Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; Q44-F46 PolarHBondContact O-N 3.12Å; Q44-Y47 HydrophobicContact CB-CE1 3.74Å; Q44-Y47 HydrophobicContact CG-CE1 3.68Å; Q44-Y47 WeakPolarHBondContact O-CD1 3.34Å; Q44-Y47 PolarHBondContact O-N 3.18Å; Q44-V48 WeakPolarHBondContact O-CB 3.41Å; Q44-V48 VanDerWaalsContact O-CG2 3.31Å; Q44-V48 WeakPolarHBondContact O-CG2 3.38Å; Q44-V48 PolarHBondContact O-N 3.31Å |
| 45 | A | 95.2 | Very high | 93.7 | Very high | 24 Ų | 24 | 44 Ų | 44 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.7 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G41 V48 L49 L147 L149 I163 | G41-A45 PolarHBondContact O-N 2.93Å; A45-V48 PolarHBondContact O-N 3.4Å; A45-L49 WeakPolarHBondContact O-CB 3.18Å; A45-L49 PolarHBondContact O-N 3.35Å; A45-L147 HydrophobicContact CB-CD2 4.38Å; A45-L149 HydrophobicContact CB-CD2 4.17Å; A45-I163 HydrophobicContact CB-CD1 4.38Å |
| 46 | F | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -52.4 | 176.9 | 170.8 | -107.4 | 0 | 0 | 0 | 113.1 | A42 L43 Q44 V48 L49 S50 L90 V95 Y114 A145 L147 Y168 | A42-F46 WeakPolarHBondContact O-CB 3.24Å; A42-F46 PolarHBondContact O-N 2.97Å; L43-F46 HydrophobicContact CD1-CD1 4.28Å; L43-F46 WeakPolarHBondContact O-CB 3.38Å; L43-F46 PolarHBondContact O-N 3.23Å; Q44-F46 PolarHBondContact O-N 3.12Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.05Å; F46-L49 PolarHBondContact O-N 3.33Å; F46-S50 VanDerWaalsContact O-CB 3.3Å; F46-S50 WeakPolarHBondContact O-CB 3.46Å; F46-S50 PolarHBondContact O-N 2.94Å; F46-S50 PolarHBondContact O-OG 2.97Å; F46-L90 HydrophobicContact CE1-CB 4.25Å; F46-L90 HydrophobicContact CZ-CB 4.14Å; F46-L90 HydrophobicContact CZ-CD1 3.69Å; F46-V95 HydrophobicContact CD1-CG2 4.25Å; F46-V95 HydrophobicContact CE1-CG2 3.69Å; F46-Y114 HydrophobicContact CB-CD2 4.23Å; F46-Y114 HydrophobicContact CB-CE2 3.65Å; F46-Y114 HydrophobicContact CD1-CD2 4.26Å; F46-Y114 HydrophobicContact CD1-CE2 4.44Å; F46-Y114 HydrophobicContact CD1-CG 4.34Å; F46-Y114 AromaticContact CD2-CD2 3.56Å; F46-Y114 HydrophobicContact CD2-CD2 3.56Å; F46-Y114 AromaticContact CD2-CE2 3.79Å; F46-Y114 HydrophobicContact CD2-CE2 3.79Å; F46-Y114 HydrophobicContact CD2-CG 4.32Å; F46-Y114 HydrophobicContact CE1-CG 4.44Å; F46-Y114 AromaticContact CE2-CD2 3.94Å; F46-Y114 HydrophobicContact CE2-CD2 3.94Å; F46-Y114 HydrophobicContact CE2-CG 4.44Å; F46-Y114 AromaticContact CG-CD2 3.73Å; F46-Y114 HydrophobicContact CG-CD2 3.73Å; F46-Y114 AromaticContact CG-CE2 3.68Å; F46-Y114 HydrophobicContact CG-CE2 3.68Å; F46-Y114 HydrophobicContact CG-CG 4.26Å; F46-Y114 HydrophobicContact CZ-CD2 4.41Å; F46-Y114 HydrophobicContact CZ-CG 4.47Å; F46-A145 HydrophobicContact CD2-CB 4.44Å; F46-A145 HydrophobicContact CE2-CB 3.43Å; F46-A145 VanDerWaalsContact CE2-CB 3.43Å; F46-A145 HydrophobicContact CZ-CB 3.95Å; F46-L147 HydrophobicContact CB-CD2 3.92Å; F46-Y168 AromaticContact CE2-CE1 3.69Å; F46-Y168 HydrophobicContact CE2-CE1 3.69Å; F46-Y168 AromaticContact CE2-CZ 3.94Å; F46-Y168 HydrophobicContact CZ-CE1 4.22Å |
| 47 | Y | 93.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.2 | -31.5 | 179.6 | 71.5 | -113.5 | 0 | 0 | 0 | 111.9 | L43 Q44 S50 A51 | L43-Y47 WeakPolarHBondContact O-CD1 3.44Å; L43-Y47 PolarHBondContact O-N 3.28Å; Q44-Y47 HydrophobicContact CB-CE1 3.74Å; Q44-Y47 HydrophobicContact CG-CE1 3.68Å; Q44-Y47 WeakPolarHBondContact O-CD1 3.34Å; Q44-Y47 PolarHBondContact O-N 3.18Å; Y47-S50 PolarHBondContact O-N 3.41Å; Y47-A51 WeakPolarHBondContact O-CB 3.16Å; Y47-A51 PolarHBondContact O-N 3.24Å |
| 48 | V | 95.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 175.6 | 165.5 | 0 | 0 | 0 | 0 | 110.1 | Q44 A45 F46 A52 R60 I64 | Q44-V48 WeakPolarHBondContact O-CB 3.41Å; Q44-V48 VanDerWaalsContact O-CG2 3.31Å; Q44-V48 WeakPolarHBondContact O-CG2 3.38Å; Q44-V48 PolarHBondContact O-N 3.31Å; A45-V48 PolarHBondContact O-N 3.4Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.05Å; V48-A52 WeakPolarHBondContact O-CB 3.33Å; V48-A52 PolarHBondContact O-N 3.06Å; V48-R60 HydrophobicContact CG1-CG 4.47Å; V48-I64 HydrophobicContact CG1-CD1 3.82Å; V48-I64 HydrophobicContact CG1-CG2 4.26Å |
| 49 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 174.8 | 179.8 | 68.3 | 0 | 0 | 0 | 110.9 | A45 F46 A51 A52 L53 I64 F73 L147 I163 A166 Y168 | A45-L49 WeakPolarHBondContact O-CB 3.18Å; A45-L49 PolarHBondContact O-N 3.35Å; F46-L49 PolarHBondContact O-N 3.33Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 2.97Å; L49-A52 PolarHBondContact O-N 2.77Å; L49-A52 VanDerWaalsContact O-N 3.08Å; L49-L53 HydrophobicContact CD1-CD1 4.17Å; L49-L53 HydrophobicContact CD1-CD2 4.29Å; L49-L53 HydrophobicContact CD1-CG 3.99Å; L49-L53 HydrophobicContact CD2-CD1 4.23Å; L49-L53 HydrophobicContact CG-CD1 3.8Å; L49-L53 HydrophobicContact CG-CG 4.06Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 2.81Å; L49-I64 HydrophobicContact CB-CD1 4.04Å; L49-I64 HydrophobicContact CD1-CD1 3.99Å; L49-F73 HydrophobicContact CD1-CD2 4.38Å; L49-F73 HydrophobicContact CD1-CE2 4.22Å; L49-L147 HydrophobicContact CD2-CD1 3.6Å; L49-I163 HydrophobicContact CB-CD1 3.97Å; L49-I163 HydrophobicContact CD1-CD1 4.38Å; L49-I163 HydrophobicContact CD2-CD1 4.11Å; L49-I163 HydrophobicContact CD2-CG2 4.24Å; L49-I163 HydrophobicContact CG-CD1 4.36Å; L49-A166 HydrophobicContact CD2-CB 3.5Å; L49-A166 VanDerWaalsContact CD2-CB 3.5Å; L49-Y168 HydrophobicContact CD2-CE2 4.43Å |
| 50 | S | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.9 | -52.7 | 178 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | F46 Y47 A52 L53 F54 F88 Y168 | F46-S50 VanDerWaalsContact O-CB 3.3Å; F46-S50 WeakPolarHBondContact O-CB 3.46Å; F46-S50 PolarHBondContact O-N 2.94Å; F46-S50 PolarHBondContact O-OG 2.97Å; Y47-S50 PolarHBondContact O-N 3.41Å; S50-A52 PolarHBondContact O-N 2.87Å; S50-L53 PolarHBondContact O-N 2.89Å; S50-F54 WeakPolarHBondContact O-CB 3.41Å; S50-F54 PolarHBondContact O-N 3.03Å; S50-F88 CarbonylContact C-O 3.52Å; S50-F88 WeakPolarHBondContact CA-O 3.46Å; S50-F88 WeakPolarHBondContact CB-O 3.33Å; S50-Y168 PolarHBondContact OG-OH 3.07Å |
| 51 | A | 96 | Very high | 95.4 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y47 L49 N55 | Y47-A51 WeakPolarHBondContact O-CB 3.16Å; Y47-A51 PolarHBondContact O-N 3.24Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 2.97Å; A51-N55 WeakPolarHBondContact O-CB 3.47Å; A51-N55 PolarHBondContact O-N 3.38Å; A51-N55 VanDerWaalsContact O-N 3.09Å; A51-N55 PolarHBondContact O-ND2 2.84Å |
| 52 | A | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V48 L49 S50 R56 D57 R60 I61 | V48-A52 WeakPolarHBondContact O-CB 3.33Å; V48-A52 PolarHBondContact O-N 3.06Å; L49-A52 PolarHBondContact O-N 2.77Å; L49-A52 VanDerWaalsContact O-N 3.08Å; S50-A52 PolarHBondContact O-N 2.87Å; A52-R56 WeakPolarHBondContact O-CA 3.44Å; A52-R56 PolarHBondContact O-N 2.8Å; A52-D57 HydrophobicContact CB-CB 4.28Å; A52-D57 PolarHBondContact O-N 3.46Å; A52-R60 HydrophobicContact CB-CB 4.2Å; A52-R60 HydrophobicContact CB-CG 4.2Å; A52-I61 HydrophobicContact CB-CG1 3.87Å |
| 53 | L | 96.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 175.6 | -67.9 | 174.5 | 0 | 0 | 0 | 111.4 | L49 S50 N55 R56 I61 F73 L77 F88 Y168 | L49-L53 HydrophobicContact CD1-CD1 4.17Å; L49-L53 HydrophobicContact CD1-CD2 4.29Å; L49-L53 HydrophobicContact CD1-CG 3.99Å; L49-L53 HydrophobicContact CD2-CD1 4.23Å; L49-L53 HydrophobicContact CG-CD1 3.8Å; L49-L53 HydrophobicContact CG-CG 4.06Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 2.81Å; S50-L53 PolarHBondContact O-N 2.89Å; L53-N55 PolarHBondContact O-N 2.84Å; L53-R56 PolarHBondContact O-N 3.02Å; L53-I61 HydrophobicContact CD2-CD1 3.93Å; L53-F73 HydrophobicContact CD2-CB 4.18Å; L53-F73 HydrophobicContact CD2-CG 4.43Å; L53-L77 HydrophobicContact CB-CD2 4.26Å; L53-L77 HydrophobicContact CD2-CD1 3.62Å; L53-L77 HydrophobicContact CD2-CD2 4.17Å; L53-L77 HydrophobicContact CD2-CG 4.03Å; L53-F88 HydrophobicContact CB-CB 3.91Å; L53-F88 HydrophobicContact CB-CD1 4Å; L53-F88 HydrophobicContact CB-CD2 4.27Å; L53-F88 HydrophobicContact CB-CG 3.81Å; L53-F88 HydrophobicContact CD1-CD1 3.74Å; L53-F88 HydrophobicContact CD1-CE1 4.03Å; L53-F88 HydrophobicContact CD1-CG 4.41Å; L53-Y168 HydrophobicContact CD1-CD2 4.16Å; L53-Y168 HydrophobicContact CD1-CE2 3.42Å; L53-Y168 VanDerWaalsContact CD1-CE2 3.42Å |
| 54 | F | 95.9 | Very high | 95.5 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 178 | -179.8 | -114 | 0 | 0 | 0 | 112.5 | S50 R56 L85 F88 D89 | S50-F54 WeakPolarHBondContact O-CB 3.41Å; S50-F54 PolarHBondContact O-N 3.03Å; F54-R56 VanDerWaalsContact C-N 3.34Å; F54-L85 HydrophobicContact CD2-CB 4.13Å; F54-L85 WeakPolarHBondContact CD2-O 3.35Å; F54-L85 HydrophobicContact CE2-CB 4.26Å; F54-F88 HydrophobicContact CB-CB 4.04Å; F54-D89 HydrophobicContact CD1-CB 4.21Å; F54-D89 HydrophobicContact CD2-CB 3.73Å; F54-D89 HydrophobicContact CE1-CB 4.35Å; F54-D89 HydrophobicContact CE2-CB 3.88Å; F54-D89 HydrophobicContact CG-CB 3.89Å; F54-D89 HydrophobicContact CZ-CB 4.18Å |
| 55 | N | 95.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 60% | 0.599 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -86.5 | -1.1 | -178.6 | -65.8 | -61.9 | 0 | 0 | 0 | 113.9 | A51 L53 D57 | A51-N55 WeakPolarHBondContact O-CB 3.47Å; A51-N55 PolarHBondContact O-N 3.38Å; A51-N55 VanDerWaalsContact O-N 3.09Å; A51-N55 PolarHBondContact O-ND2 2.84Å; L53-N55 PolarHBondContact O-N 2.84Å; N55-D57 PolarHBondContact O-N 2.97Å |
| 56 | R | 94.7 | Very high | 95.5 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.6 | -170.8 | -56.3 | -177.2 | 176.9 | 169.5 | 4.3 | 112.9 | A52 L53 F54 Y58 D82 | A52-R56 WeakPolarHBondContact O-CA 3.44Å; A52-R56 PolarHBondContact O-N 2.8Å; L53-R56 PolarHBondContact O-N 3.02Å; F54-R56 VanDerWaalsContact C-N 3.34Å; R56-Y58 HydrophobicContact CB-CE1 4.44Å; R56-Y58 HydrophobicContact CB-CE2 4.38Å; R56-Y58 WeakPolarHBondContact O-CD2 3.36Å; R56-Y58 PolarHBondContact O-N 2.95Å; R56-D82 IonicContact CZ-OD1 3.76Å; R56-D82 IonicContact NH1-OD1 3.48Å; R56-D82 IonicContact NH2-OD1 3.37Å; R56-D82 PolarHBondContact NH2-OD1 3.44Å |
| 57 | D | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | trans | -79.5 | 82.6 | 177.9 | -177.1 | -7.5 | 0 | 0 | 0 | 110.3 | A52 N55 D59 R60 I61 | A52-D57 HydrophobicContact CB-CB 4.28Å; A52-D57 PolarHBondContact O-N 3.46Å; N55-D57 PolarHBondContact O-N 2.97Å; D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 3.25Å; D57-D59 PolarHBondContact OD1-N 3.28Å; D57-R60 HydrophobicContact CB-CB 4.22Å; D57-R60 PolarHBondContact O-N 3.33Å; D57-R60 WeakPolarHBondContact OD1-CB 3.49Å; D57-R60 PolarHBondContact OD1-N 3.48Å; D57-R60 VanDerWaalsContact OD2-CB 3.24Å; D57-R60 WeakPolarHBondContact OD2-CB 3.48Å; D57-I61 WeakPolarHBondContact O-CG1 3.32Å; D57-I61 PolarHBondContact O-N 3.48Å; D57-I61 VanDerWaalsContact O-N 3.11Å | ||
| 58 | Y | 95.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 28% | 0.275 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -27.7 | -175.8 | -60.1 | -51.7 | 0 | 0 | 0 | 114.1 | R56 I61 D62 R74 L77 | R56-Y58 HydrophobicContact CB-CE1 4.44Å; R56-Y58 HydrophobicContact CB-CE2 4.38Å; R56-Y58 WeakPolarHBondContact O-CD2 3.36Å; R56-Y58 PolarHBondContact O-N 2.95Å; Y58-I61 HydrophobicContact CD1-CD1 4.14Å; Y58-I61 PolarHBondContact O-N 3.24Å; Y58-D62 PolarHBondContact O-N 3.46Å; Y58-R74 HydrophobicContact CD1-CG 3.53Å; Y58-R74 HydrophobicContact CE1-CB 4.37Å; Y58-R74 HydrophobicContact CE1-CG 3.8Å; Y58-R74 HydrophobicContact CG-CG 4.28Å; Y58-R74 PolarHBondContact O-NH2 3.05Å; Y58-R74 VanDerWaalsContact O-NH2 3.15Å; Y58-L77 HydrophobicContact CE1-CD1 4.03Å |
| 59 | D | 96 | Very high | 95.4 | Very high | 117 Ų | 117 | 59 Ų | 59 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.3 | -39 | 176.8 | -71 | -17.8 | 0 | 0 | 0 | 110.8 | D57 K63 | D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 3.25Å; D57-D59 PolarHBondContact OD1-N 3.28Å; D59-K63 WeakPolarHBondContact O-CG 3.31Å; D59-K63 PolarHBondContact O-N 3.01Å |
| 60 | R | 94.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 59 Ų | 59 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.5 | -38.1 | 175.5 | -170.1 | 168.7 | -171 | -179.7 | -2.2 | 112.2 | V48 A52 D57 D62 K63 I64 | V48-R60 HydrophobicContact CG1-CG 4.47Å; A52-R60 HydrophobicContact CB-CB 4.2Å; A52-R60 HydrophobicContact CB-CG 4.2Å; D57-R60 HydrophobicContact CB-CB 4.22Å; D57-R60 PolarHBondContact O-N 3.33Å; D57-R60 WeakPolarHBondContact OD1-CB 3.49Å; D57-R60 PolarHBondContact OD1-N 3.48Å; D57-R60 VanDerWaalsContact OD2-CB 3.24Å; D57-R60 WeakPolarHBondContact OD2-CB 3.48Å; R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.45Å; R60-K63 PolarHBondContact O-N 3.02Å; R60-I64 WeakPolarHBondContact O-CG1 3.4Å; R60-I64 PolarHBondContact O-N 2.98Å |
| 61 | I | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.1 | -69.2 | 165.5 | 0 | 0 | 0 | 110.6 | A52 L53 D57 Y58 K63 I64 A65 A70 F73 L77 | A52-I61 HydrophobicContact CB-CG1 3.87Å; L53-I61 HydrophobicContact CD2-CD1 3.93Å; D57-I61 WeakPolarHBondContact O-CG1 3.32Å; D57-I61 PolarHBondContact O-N 3.48Å; D57-I61 VanDerWaalsContact O-N 3.11Å; Y58-I61 HydrophobicContact CD1-CD1 4.14Å; Y58-I61 PolarHBondContact O-N 3.24Å; I61-K63 PolarHBondContact O-N 3.41Å; I61-I64 PolarHBondContact O-N 3.08Å; I61-A65 HydrophobicContact CG2-CB 4.45Å; I61-A65 WeakPolarHBondContact O-CB 3.41Å; I61-A65 PolarHBondContact O-N 2.8Å; I61-A70 HydrophobicContact CG2-CB 3.92Å; I61-F73 HydrophobicContact CG2-CB 4.37Å; I61-F73 HydrophobicContact CG2-CD2 3.86Å; I61-L77 HydrophobicContact CD1-CD1 4.07Å |
| 62 | D | 95.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -27.2 | -179.8 | -79.4 | 5.9 | 0 | 0 | 0 | 113.5 | Y58 R60 A70 R74 | Y58-D62 PolarHBondContact O-N 3.46Å; R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.45Å; D62-A70 WeakPolarHBondContact OD1-CB 3.47Å; D62-R74 IonicContact OD1-CZ 2.71Å; D62-R74 VanDerWaalsContact OD1-CZ 3.24Å; D62-R74 IonicContact OD1-NE 3.49Å; D62-R74 PolarHBondContact OD1-NE 3.42Å; D62-R74 IonicContact OD1-NH2 2.75Å; D62-R74 PolarHBondContact OD1-NH2 3.21Å; D62-R74 IonicContact OD2-CZ 2.69Å; D62-R74 IonicContact OD2-NH1 3.85Å; D62-R74 IonicContact OD2-NH2 3.62Å; D62-R74 PolarHBondContact OD2-NH2 3.37Å |
| 63 | K | 94.3 | Very high | 95.4 | Very high | 166 Ų | 166 | 67.5 Ų | 67.5 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -81.4 | -27.3 | -179.8 | -72 | 173.2 | -176.6 | 173.9 | 0 | 113.8 | D59 R60 I61 | D59-K63 WeakPolarHBondContact O-CG 3.31Å; D59-K63 PolarHBondContact O-N 3.01Å; R60-K63 PolarHBondContact O-N 3.02Å; I61-K63 PolarHBondContact O-N 3.41Å |
| 64 | I | 94.4 | Very high | 95.3 | Very high | 37 Ų | 37 | 70.8 Ų | 70.8 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -108.4 | -13.2 | -172.5 | 68.7 | -177.7 | 0 | 0 | 0 | 113.2 | V48 L49 R60 I61 I163 | V48-I64 HydrophobicContact CG1-CD1 3.82Å; V48-I64 HydrophobicContact CG1-CG2 4.26Å; L49-I64 HydrophobicContact CB-CD1 4.04Å; L49-I64 HydrophobicContact CD1-CD1 3.99Å; R60-I64 WeakPolarHBondContact O-CG1 3.4Å; R60-I64 PolarHBondContact O-N 2.98Å; I61-I64 PolarHBondContact O-N 3.08Å; I64-I163 HydrophobicContact CB-CD1 4.31Å; I64-I163 HydrophobicContact CD1-CD1 4.02Å; I64-I163 HydrophobicContact CG1-CD1 4Å; I64-I163 PolarHBondContact O-N 3.09Å |
| 65 | A | 95.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 158.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I61 A70 F73 I163 | I61-A65 HydrophobicContact CG2-CB 4.45Å; I61-A65 WeakPolarHBondContact O-CB 3.41Å; I61-A65 PolarHBondContact O-N 2.8Å; A65-A70 HydrophobicContact CB-CB 4.28Å; A65-F73 HydrophobicContact CB-CD2 4.32Å; A65-F73 HydrophobicContact CB-CE2 3.91Å; A65-I163 CarbonylContact C-O 3.54Å; A65-I163 WeakPolarHBondContact CA-O 3.47Å; A65-I163 HydrophobicContact CB-CB 4.22Å; A65-I163 WeakPolarHBondContact CB-O 3.35Å |
| 66 | T | 94.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -63.7 | 153.7 | 168.1 | 69.6 | 0 | 0 | 0 | 0 | 109.8 | E68 S69 A70 L162 I163 D164 | T66-E68 PolarHBondContact O-N 3.39Å; T66-S69 PolarHBondContact O-N 3.31Å; T66-S69 VanDerWaalsContact O-N 3.1Å; T66-S69 WeakPolarHBondContact OG1-CB 3.38Å; T66-S69 PolarHBondContact OG1-N 2.92Å; T66-S69 PolarHBondContact OG1-OG 3.14Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.12Å; T66-L162 HydrophobicContact CG2-CB 4.05Å; T66-L162 HydrophobicContact CG2-CD1 4.44Å; T66-I163 PolarHBondContact N-O 2.89Å; T66-D164 HydrophobicContact CG2-CB 3.71Å | ||
| 67 | T | 94.3 | Very high | 95 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 64% | 0.638 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.1 | -36.1 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | K71 | T67-K71 VanDerWaalsContact O-CG 3.31Å; T67-K71 WeakPolarHBondContact O-CG 3.41Å; T67-K71 PolarHBondContact O-N 2.85Å |
| 68 | E | 95 | Very high | 94.8 | Very high | 162 Ų | 162 | 67.7 Ų | 67.7 | 76% | 0.757 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67 | -46.5 | 177.5 | -64.7 | 177.5 | 174.4 | 0 | 0 | 111.3 | T66 K71 A72 | T66-E68 PolarHBondContact O-N 3.39Å; E68-K71 PolarHBondContact O-N 3.4Å; E68-A72 PolarHBondContact O-N 3.4Å |
| 69 | S | 95.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.8 | -35.6 | -177 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | T66 K71 A72 F73 D164 | T66-S69 PolarHBondContact O-N 3.31Å; T66-S69 VanDerWaalsContact O-N 3.1Å; T66-S69 WeakPolarHBondContact OG1-CB 3.38Å; T66-S69 PolarHBondContact OG1-N 2.92Å; T66-S69 PolarHBondContact OG1-OG 3.14Å; S69-K71 VanDerWaalsContact C-N 3.34Å; S69-K71 PolarHBondContact O-N 2.87Å; S69-A72 PolarHBondContact O-N 3.46Å; S69-F73 WeakPolarHBondContact O-CB 3.42Å; S69-F73 WeakPolarHBondContact O-CD2 3.37Å; S69-F73 WeakPolarHBondContact O-CG 3.3Å; S69-F73 PolarHBondContact O-N 3.24Å; S69-D164 WeakPolarHBondContact OG-CA 3.31Å; S69-D164 PolarHBondContact OG-O 3.05Å |
| 70 | A | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | I61 D62 A65 T66 F73 R74 | I61-A70 HydrophobicContact CG2-CB 3.92Å; D62-A70 WeakPolarHBondContact OD1-CB 3.47Å; A65-A70 HydrophobicContact CB-CB 4.28Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.12Å; A70-F73 PolarHBondContact O-N 2.95Å; A70-R74 WeakPolarHBondContact O-CG 3.32Å; A70-R74 PolarHBondContact O-N 3.18Å |
| 71 | K | 96.7 | Very high | 94.3 | Very high | 132 Ų | 132 | 68.7 Ų | 68.7 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 173.4 | -72.8 | 172.4 | -177.3 | 177.3 | 0 | 111.6 | T67 E68 S69 F73 R74 S75 | T67-K71 VanDerWaalsContact O-CG 3.31Å; T67-K71 WeakPolarHBondContact O-CG 3.41Å; T67-K71 PolarHBondContact O-N 2.85Å; E68-K71 PolarHBondContact O-N 3.4Å; S69-K71 VanDerWaalsContact C-N 3.34Å; S69-K71 PolarHBondContact O-N 2.87Å; K71-F73 VanDerWaalsContact C-N 3.34Å; K71-F73 PolarHBondContact O-N 3.03Å; K71-R74 PolarHBondContact O-N 3.2Å; K71-S75 PolarHBondContact O-N 3.07Å; K71-S75 VanDerWaalsContact O-N 3.08Å; K71-S75 PolarHBondContact O-OG 2.76Å |
| 72 | A | 96.2 | Very high | 94 | Very high | 52 Ų | 52 | 74.2 Ų | 74.2 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E68 S69 S76 | E68-A72 PolarHBondContact O-N 3.4Å; S69-A72 PolarHBondContact O-N 3.46Å; A72-S76 VanDerWaalsContact O-CB 3.29Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.31Å; A72-S76 PolarHBondContact O-OG 2.86Å |
| 73 | F | 95.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 73.7 Ų | 73.7 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 175 | -62 | -31.2 | 0 | 0 | 0 | 111.5 | L49 L53 I61 A65 S69 A70 K71 S76 L77 I163 A166 | L49-F73 HydrophobicContact CD1-CD2 4.38Å; L49-F73 HydrophobicContact CD1-CE2 4.22Å; L53-F73 HydrophobicContact CD2-CB 4.18Å; L53-F73 HydrophobicContact CD2-CG 4.43Å; I61-F73 HydrophobicContact CG2-CB 4.37Å; I61-F73 HydrophobicContact CG2-CD2 3.86Å; A65-F73 HydrophobicContact CB-CD2 4.32Å; A65-F73 HydrophobicContact CB-CE2 3.91Å; S69-F73 WeakPolarHBondContact O-CB 3.42Å; S69-F73 WeakPolarHBondContact O-CD2 3.37Å; S69-F73 WeakPolarHBondContact O-CG 3.3Å; S69-F73 PolarHBondContact O-N 3.24Å; A70-F73 PolarHBondContact O-N 2.95Å; K71-F73 VanDerWaalsContact C-N 3.34Å; K71-F73 PolarHBondContact O-N 3.03Å; F73-S76 PolarHBondContact O-N 3.43Å; F73-S76 VanDerWaalsContact O-N 3.16Å; F73-L77 WeakPolarHBondContact O-CB 3.45Å; F73-L77 WeakPolarHBondContact O-CG 3.43Å; F73-L77 PolarHBondContact O-N 2.85Å; F73-I163 HydrophobicContact CE2-CG2 4.06Å; F73-I163 HydrophobicContact CZ-CG2 3.97Å; F73-A166 HydrophobicContact CE1-CB 3.66Å; F73-A166 HydrophobicContact CZ-CB 3.54Å |
| 74 | R | 94.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.1 | -55.4 | 175.9 | -72.7 | 172.3 | -178.5 | -161.3 | -4.6 | 111.7 | Y58 D62 A70 K71 S76 L77 E78 | Y58-R74 HydrophobicContact CD1-CG 3.53Å; Y58-R74 HydrophobicContact CE1-CB 4.37Å; Y58-R74 HydrophobicContact CE1-CG 3.8Å; Y58-R74 HydrophobicContact CG-CG 4.28Å; Y58-R74 PolarHBondContact O-NH2 3.05Å; Y58-R74 VanDerWaalsContact O-NH2 3.15Å; D62-R74 IonicContact OD1-CZ 2.71Å; D62-R74 VanDerWaalsContact OD1-CZ 3.24Å; D62-R74 IonicContact OD1-NE 3.49Å; D62-R74 PolarHBondContact OD1-NE 3.42Å; D62-R74 IonicContact OD1-NH2 2.75Å; D62-R74 PolarHBondContact OD1-NH2 3.21Å; D62-R74 IonicContact OD2-CZ 2.69Å; D62-R74 IonicContact OD2-NH1 3.85Å; D62-R74 IonicContact OD2-NH2 3.62Å; D62-R74 PolarHBondContact OD2-NH2 3.37Å; A70-R74 WeakPolarHBondContact O-CG 3.32Å; A70-R74 PolarHBondContact O-N 3.18Å; K71-R74 PolarHBondContact O-N 3.2Å; R74-S76 PolarHBondContact O-N 3.28Å; R74-L77 PolarHBondContact O-N 2.75Å; R74-E78 WeakPolarHBondContact O-CG 3.32Å; R74-E78 PolarHBondContact O-N 2.84Å; R74-E78 VanDerWaalsContact O-N 3.13Å |
| 75 | S | 94 | Very high | 93.6 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 46% | 0.462 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -23.6 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | K71 R79 | K71-S75 PolarHBondContact O-N 3.07Å; K71-S75 VanDerWaalsContact O-N 3.08Å; K71-S75 PolarHBondContact O-OG 2.76Å; S75-R79 PolarHBondContact O-NE 2.79Å |
| 76 | S | 93.1 | Very high | 93.5 | Very high | 48 Ų | 48 | 71.8 Ų | 71.8 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -83.1 | -41.4 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 112 | A72 F73 R74 E78 R79 | A72-S76 VanDerWaalsContact O-CB 3.29Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.31Å; A72-S76 PolarHBondContact O-OG 2.86Å; F73-S76 PolarHBondContact O-N 3.43Å; F73-S76 VanDerWaalsContact O-N 3.16Å; R74-S76 PolarHBondContact O-N 3.28Å; S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.12Å; S76-R79 WeakPolarHBondContact O-CB 3.26Å; S76-R79 PolarHBondContact O-N 3.36Å; S76-R79 VanDerWaalsContact O-N 3.08Å; S76-R79 PolarHBondContact OG-NH2 2.84Å; S76-R79 VanDerWaalsContact OG-NH2 3.12Å |
| 77 | L | 92.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.4 | -79.6 | 175 | 0 | 0 | 0 | 112.8 | L53 Y58 I61 F73 R74 R79 V80 F88 | L53-L77 HydrophobicContact CB-CD2 4.26Å; L53-L77 HydrophobicContact CD2-CD1 3.62Å; L53-L77 HydrophobicContact CD2-CD2 4.17Å; L53-L77 HydrophobicContact CD2-CG 4.03Å; Y58-L77 HydrophobicContact CE1-CD1 4.03Å; I61-L77 HydrophobicContact CD1-CD1 4.07Å; F73-L77 WeakPolarHBondContact O-CB 3.45Å; F73-L77 WeakPolarHBondContact O-CG 3.43Å; F73-L77 PolarHBondContact O-N 2.85Å; R74-L77 PolarHBondContact O-N 2.75Å; L77-R79 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact O-N 3.14Å; L77-V80 PolarHBondContact O-N 2.75Å; L77-F88 HydrophobicContact CD2-CD2 4.14Å; L77-F88 HydrophobicContact CD2-CE2 3.61Å; L77-F88 HydrophobicContact CD2-CZ 4.05Å |
| 78 | E | 91.7 | Very high | 93.5 | Very high | 145 Ų | 145 | 67.2 Ų | 67.2 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | 174.4 | -74 | 174 | 174.6 | 0 | 0 | 113 | R74 S76 | R74-E78 WeakPolarHBondContact O-CG 3.32Å; R74-E78 PolarHBondContact O-N 2.84Å; R74-E78 VanDerWaalsContact O-N 3.13Å; S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.12Å |
| 79 | R | 91.9 | Very high | 93.5 | Very high | 188 Ų | 188 | 60.7 Ų | 60.7 | 71% | 0.709 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.3 | 179.2 | -62 | 179.9 | -73.3 | 152.7 | 1.2 | 113.2 | S75 S76 L77 P81 | S75-R79 PolarHBondContact O-NE 2.79Å; S76-R79 WeakPolarHBondContact O-CB 3.26Å; S76-R79 PolarHBondContact O-N 3.36Å; S76-R79 VanDerWaalsContact O-N 3.08Å; S76-R79 PolarHBondContact OG-NH2 2.84Å; S76-R79 VanDerWaalsContact OG-NH2 3.12Å; L77-R79 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact O-N 3.14Å; R79-P81 WeakPolarHBondContact O-CD 3.5Å |
| 80 | V | 91.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -88.9 | 117.6 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | L77 K84 L85 F88 | L77-V80 PolarHBondContact O-N 2.75Å; V80-K84 HydrophobicContact CG1-CB 3.99Å; V80-L85 HydrophobicContact CB-CD2 4.34Å; V80-L85 HydrophobicContact CG1-CD2 3.95Å; V80-L85 HydrophobicContact CG1-CG 4.39Å; V80-F88 HydrophobicContact CG1-CE2 4.15Å; V80-F88 HydrophobicContact CG2-CE2 4.2Å; V80-F88 HydrophobicContact CG2-CZ 4.31Å |
| 81 | P | 91.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | trans | -61.9 | 146.6 | 174.4 | -20.6 | 32.7 | 0 | 0 | 0 | 111.5 | R79 G83 K84 L85 | R79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-G83 PolarHBondContact O-N 3.01Å; P81-G83 VanDerWaalsContact O-N 3.14Å; P81-K84 WeakPolarHBondContact O-CA 3.49Å; P81-K84 WeakPolarHBondContact O-CB 3.46Å; P81-K84 PolarHBondContact O-N 3.15Å; P81-L85 PolarHBondContact O-N 3.27Å | ||
| 82 | D | 90.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 64 Ų | 64 | 62% | 0.62 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -55.5 | -37.9 | -177.9 | -64.5 | -15 | 0 | 0 | 0 | 112.6 | R56 K84 L85 | R56-D82 IonicContact CZ-OD1 3.76Å; R56-D82 IonicContact NH1-OD1 3.48Å; R56-D82 IonicContact NH2-OD1 3.37Å; R56-D82 PolarHBondContact NH2-OD1 3.44Å; D82-K84 PolarHBondContact O-N 2.92Å; D82-L85 HydrophobicContact CB-CD1 4.36Å; D82-L85 WeakPolarHBondContact O-CB 3.39Å; D82-L85 PolarHBondContact O-N 3.28Å; D82-L85 VanDerWaalsContact O-N 3.12Å |
| 83 | G | 90.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 67% | 0.67 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -66.2 | -5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P81 W86 | P81-G83 PolarHBondContact O-N 3.01Å; P81-G83 VanDerWaalsContact O-N 3.14Å; G83-W86 VanDerWaalsContact O-CD1 3.26Å; G83-W86 PolarHBondContact O-NE1 2.94Å |
| 84 | K | 90.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -113.1 | -6 | 175.8 | -68.9 | -68.8 | -171.5 | 172.6 | 0 | 113.2 | V80 P81 D82 W86 V87 | V80-K84 HydrophobicContact CG1-CB 3.99Å; P81-K84 WeakPolarHBondContact O-CA 3.49Å; P81-K84 WeakPolarHBondContact O-CB 3.46Å; P81-K84 PolarHBondContact O-N 3.15Å; D82-K84 PolarHBondContact O-N 2.92Å; K84-W86 PolarHBondContact O-N 3.38Å; K84-V87 VanDerWaalsContact O-CG1 3.32Å; K84-V87 WeakPolarHBondContact O-CG1 3.28Å; K84-V87 PolarHBondContact O-N 2.9Å |
| 85 | L | 92.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -61.3 | -26.7 | -178.8 | -74.6 | 173.5 | 0 | 0 | 0 | 113.4 | F54 V80 P81 D82 V87 F88 | F54-L85 HydrophobicContact CD2-CB 4.13Å; F54-L85 WeakPolarHBondContact CD2-O 3.35Å; F54-L85 HydrophobicContact CE2-CB 4.26Å; V80-L85 HydrophobicContact CB-CD2 4.34Å; V80-L85 HydrophobicContact CG1-CD2 3.95Å; V80-L85 HydrophobicContact CG1-CG 4.39Å; P81-L85 PolarHBondContact O-N 3.27Å; D82-L85 HydrophobicContact CB-CD1 4.36Å; D82-L85 WeakPolarHBondContact O-CB 3.39Å; D82-L85 PolarHBondContact O-N 3.28Å; D82-L85 VanDerWaalsContact O-N 3.12Å; L85-V87 PolarHBondContact O-N 3.33Å; L85-F88 HydrophobicContact CD2-CD2 4.12Å; L85-F88 HydrophobicContact CD2-CE2 4.2Å; L85-F88 WeakPolarHBondContact O-CD2 3.35Å; L85-F88 PolarHBondContact O-N 3.44Å |
| 86 | W | 93.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -54.2 | -22.6 | 178.6 | 68.5 | -97 | 0 | 0 | 0 | 113.6 | G83 K84 F88 D89 Y118 H140 V143 | G83-W86 VanDerWaalsContact O-CD1 3.26Å; G83-W86 PolarHBondContact O-NE1 2.94Å; K84-W86 PolarHBondContact O-N 3.38Å; W86-F88 PolarHBondContact O-N 2.92Å; W86-F88 VanDerWaalsContact O-N 3.12Å; W86-D89 PolarHBondContact O-N 3.04Å; W86-Y118 HydrophobicContact CB-CE1 4.32Å; W86-Y118 HydrophobicContact CD2-CD1 4.46Å; W86-Y118 AromaticContact CE3-CD1 3.61Å; W86-Y118 HydrophobicContact CE3-CD1 3.61Å; W86-Y118 HydrophobicContact CE3-CD2 4.29Å; W86-Y118 HydrophobicContact CE3-CE1 4.05Å; W86-Y118 AromaticContact CE3-CG 3.74Å; W86-Y118 HydrophobicContact CE3-CG 3.74Å; W86-Y118 HydrophobicContact CZ3-CD1 4.11Å; W86-Y118 HydrophobicContact CZ3-CG 4.05Å; W86-H140 WeakPolarHBondContact CH2-O 3.33Å; W86-V143 HydrophobicContact CZ3-CG2 4.13Å |
| 87 | V | 93.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -59.8 | -21.8 | 175.2 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | K84 L85 V143 | K84-V87 VanDerWaalsContact O-CG1 3.32Å; K84-V87 WeakPolarHBondContact O-CG1 3.28Å; K84-V87 PolarHBondContact O-N 2.9Å; L85-V87 PolarHBondContact O-N 3.33Å; V87-V143 HydrophobicContact CG2-CB 4.49Å; V87-V143 HydrophobicContact CG2-CG1 3.77Å; V87-V143 HydrophobicContact CG2-CG2 3.84Å |
| 88 | F | 95.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -96.5 | -8.7 | 176.1 | -52.7 | -60.6 | 0 | 0 | 0 | 113.2 | S50 L53 F54 L77 V80 L85 W86 L90 Y168 | S50-F88 CarbonylContact C-O 3.52Å; S50-F88 WeakPolarHBondContact CA-O 3.46Å; S50-F88 WeakPolarHBondContact CB-O 3.33Å; L53-F88 HydrophobicContact CB-CB 3.91Å; L53-F88 HydrophobicContact CB-CD1 4Å; L53-F88 HydrophobicContact CB-CD2 4.27Å; L53-F88 HydrophobicContact CB-CG 3.81Å; L53-F88 HydrophobicContact CD1-CD1 3.74Å; L53-F88 HydrophobicContact CD1-CE1 4.03Å; L53-F88 HydrophobicContact CD1-CG 4.41Å; F54-F88 HydrophobicContact CB-CB 4.04Å; L77-F88 HydrophobicContact CD2-CD2 4.14Å; L77-F88 HydrophobicContact CD2-CE2 3.61Å; L77-F88 HydrophobicContact CD2-CZ 4.05Å; V80-F88 HydrophobicContact CG1-CE2 4.15Å; V80-F88 HydrophobicContact CG2-CE2 4.2Å; V80-F88 HydrophobicContact CG2-CZ 4.31Å; L85-F88 HydrophobicContact CD2-CD2 4.12Å; L85-F88 HydrophobicContact CD2-CE2 4.2Å; L85-F88 WeakPolarHBondContact O-CD2 3.35Å; L85-F88 PolarHBondContact O-N 3.44Å; W86-F88 PolarHBondContact O-N 2.92Å; W86-F88 VanDerWaalsContact O-N 3.12Å; F88-L90 PolarHBondContact O-N 3.5Å; F88-Y168 AromaticContact CD1-CD1 3.87Å; F88-Y168 HydrophobicContact CD1-CD1 3.87Å; F88-Y168 AromaticContact CD1-CD2 3.78Å; F88-Y168 HydrophobicContact CD1-CD2 3.78Å; F88-Y168 HydrophobicContact CD1-CE1 4.16Å; F88-Y168 HydrophobicContact CD1-CE2 4.11Å; F88-Y168 AromaticContact CD1-CG 3.68Å; F88-Y168 HydrophobicContact CD1-CG 3.68Å; F88-Y168 HydrophobicContact CE1-CD1 4.35Å; F88-Y168 AromaticContact CE1-CD2 3.63Å; F88-Y168 HydrophobicContact CE1-CD2 3.63Å; F88-Y168 HydrophobicContact CE1-CE2 4.28Å; F88-Y168 AromaticContact CE1-CG 3.69Å; F88-Y168 HydrophobicContact CE1-CG 3.69Å |
| 89 | D | 95 | Very high | 92 | Very high | 26 Ų | 26 | 63 Ų | 63 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -82.6 | 45.8 | -179.8 | -173.6 | 34 | 0 | 0 | 0 | 111.8 | F54 W86 K91 Y118 | F54-D89 HydrophobicContact CD1-CB 4.21Å; F54-D89 HydrophobicContact CD2-CB 3.73Å; F54-D89 HydrophobicContact CE1-CB 4.35Å; F54-D89 HydrophobicContact CE2-CB 3.88Å; F54-D89 HydrophobicContact CG-CB 3.89Å; F54-D89 HydrophobicContact CZ-CB 4.18Å; W86-D89 PolarHBondContact O-N 3.04Å; D89-K91 VanDerWaalsContact OD1-CE 3.28Å; D89-K91 WeakPolarHBondContact OD1-CE 3.38Å; D89-K91 IonicContact OD1-NZ 3.56Å; D89-K91 PolarHBondContact OD1-NZ 3.32Å; D89-Y118 HydrophobicContact CB-CE2 3.88Å; D89-Y118 WeakPolarHBondContact O-CE2 3.36Å; D89-Y118 PolarHBondContact OD2-OH 2.86Å | ||
| 90 | L | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -87.2 | 134.2 | -177.4 | -60.7 | 177.7 | 0 | 0 | 0 | 110.9 | F46 F88 D94 A116 Y118 V143 Y168 | F46-L90 HydrophobicContact CE1-CB 4.25Å; F46-L90 HydrophobicContact CZ-CB 4.14Å; F46-L90 HydrophobicContact CZ-CD1 3.69Å; F88-L90 PolarHBondContact O-N 3.5Å; L90-D94 HydrophobicContact CD2-CB 4.47Å; L90-A116 HydrophobicContact CD1-CB 3.97Å; L90-A116 HydrophobicContact CD2-CB 3.97Å; L90-A116 HydrophobicContact CG-CB 4.5Å; L90-Y118 HydrophobicContact CD2-CD2 4.26Å; L90-V143 HydrophobicContact CD1-CB 4.18Å; L90-V143 HydrophobicContact CD1-CG1 3.94Å; L90-V143 HydrophobicContact CD2-CG2 4.38Å; L90-Y168 HydrophobicContact CD1-CD1 4.1Å; L90-Y168 HydrophobicContact CD1-CE1 4.09Å | ||
| 91 | K | 93.3 | Very high | 91.2 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | trans | -105.8 | 166.4 | 174.4 | -49 | -56.8 | 171.8 | -163.2 | 0 | 110.7 | D89 S93 D94 | D89-K91 VanDerWaalsContact OD1-CE 3.28Å; D89-K91 WeakPolarHBondContact OD1-CE 3.38Å; D89-K91 IonicContact OD1-NZ 3.56Å; D89-K91 PolarHBondContact OD1-NZ 3.32Å; K91-S93 PolarHBondContact O-N 3.11Å; K91-D94 PolarHBondContact N-OD2 2.75Å; K91-D94 WeakPolarHBondContact O-CB 3.48Å; K91-D94 PolarHBondContact O-N 3.29Å | ||
| 92 | E | 91.6 | Very high | 90.2 | Very high | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -54.7 | -41.8 | 173.7 | 178 | 168.1 | -170 | 0 | 0 | 112.1 | L43 D94 V95 | L43-E92 HydrophobicContact CD2-CG 4.1Å; E92-D94 PolarHBondContact O-N 2.87Å; E92-V95 PolarHBondContact O-N 3.03Å |
| 93 | S | 91.5 | Very high | 88.6 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -62.7 | -22.5 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | K91 | K91-S93 PolarHBondContact O-N 3.11Š|
| 94 | D | 93.4 | Very high | 87 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -77.8 | -27.1 | -179.9 | -63.7 | -34.2 | 0 | 0 | 0 | 111.8 | L90 K91 E92 Y96 A116 F117 K119 R120 | L90-D94 HydrophobicContact CD2-CB 4.47Å; K91-D94 PolarHBondContact N-OD2 2.75Å; K91-D94 WeakPolarHBondContact O-CB 3.48Å; K91-D94 PolarHBondContact O-N 3.29Å; E92-D94 PolarHBondContact O-N 2.87Å; D94-Y96 PolarHBondContact O-N 3.14Å; D94-A116 HydrophobicContact CB-CB 4.26Å; D94-A116 CarbonylContact O-C 3.54Å; D94-A116 VanDerWaalsContact O-CA 3.23Å; D94-A116 WeakPolarHBondContact O-CA 3.37Å; D94-F117 VanDerWaalsContact CB-O 3.26Å; D94-F117 WeakPolarHBondContact CB-O 3.47Å; D94-F117 PolarHBondContact O-N 3.01Å; D94-K119 WeakPolarHBondContact OD1-CA 3.45Å; D94-K119 PolarHBondContact OD1-N 2.81Å; D94-R120 PolarHBondContact OD1-N 2.78Å |
| 95 | V | 93 | Very high | 85.2 | Confident | 23 Ų | 23 | 50 Ų | 50 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 112.5 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | L43 F46 E92 Y114 A116 | L43-V95 HydrophobicContact CD1-CG2 4.26Å; F46-V95 HydrophobicContact CD1-CG2 4.25Å; F46-V95 HydrophobicContact CE1-CG2 3.69Å; E92-V95 PolarHBondContact O-N 3.03Å; V95-Y114 HydrophobicContact CG1-CD1 4.01Å; V95-A116 HydrophobicContact CG2-CB 4.41Å |
| 96 | Y | 89.6 | Confident | 83.6 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -16.2 | 177.9 | 65 | -95 | 0 | 0 | 0 | 113 | D94 H115 F117 F142 | D94-Y96 PolarHBondContact O-N 3.14Å; Y96-H115 WeakPolarHBondContact CD1-O 3.43Å; Y96-H115 HydrophobicContact CE1-CB 3.95Å; Y96-H115 HydrophobicContact CE2-CB 3.82Å; Y96-H115 PolarHBondContact N-O 3.24Å; Y96-F117 HydrophobicContact CD1-CB 4.13Å; Y96-F117 HydrophobicContact CE1-CB 4.21Å; Y96-F142 AromaticContact CE1-CD1 3.87Å; Y96-F142 HydrophobicContact CE1-CD1 3.87Å; Y96-F142 HydrophobicContact CE1-CE1 4.01Å |
| 97 | F | 89.7 | Confident | 82.3 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.3 | 175.9 | 176 | -89.8 | 0 | 0 | 0 | 110.9 | Q99 H115 | F97-Q99 HydrophobicContact CE1-CB 3.87Å; F97-Q99 HydrophobicContact CZ-CB 4.13Å; F97-H115 HydrophobicContact CB-CB 4.14Å; F97-H115 HydrophobicContact CD1-CB 4.45Å; F97-H115 AromaticContact CD1-CE1 3.89Å; F97-H115 AromaticContact CD1-CG 3.97Å; F97-H115 AromaticContact CD1-ND1 3.46Å; F97-H115 WeakPolarHBondContact CD1-ND1 3.48Å; F97-H115 PolarHBondContact N-O 2.85Å; F97-H115 PolarHBondContact O-N 3.01Å |
| 98 | R | 90.7 | Very high | 81.7 | Confident | 95 Ų | 95 | 55 Ų | 55 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.8 | 176.1 | 68.3 | -175.5 | -170.8 | -160.3 | 2.6 | 111.1 | E39 V113 Y114 | E39-R98 IonicContact OE2-NE 2.9Å; E39-R98 IonicContact OE2-NH2 2.76Å; R98-V113 CarbonylContact C-O 3.57Å; R98-V113 VanDerWaalsContact CA-O 3.24Å; R98-V113 WeakPolarHBondContact CA-O 3.22Å; R98-Y114 HydrophobicContact CB-CD1 3.76Å; R98-Y114 HydrophobicContact CB-CE1 4.01Å |
| 99 | Q | 87.1 | Confident | 81.3 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133 | 178.9 | -172.6 | 175.9 | 39.1 | 0 | 0 | 111.3 | F97 H101 M112 V113 | F97-Q99 HydrophobicContact CE1-CB 3.87Å; F97-Q99 HydrophobicContact CZ-CB 4.13Å; Q99-H101 VanDerWaalsContact CD-NE2 3.31Å; Q99-H101 PolarHBondContact OE1-CE1 3.43Å; Q99-H101 PolarHBondContact OE1-NE2 3.08Å; Q99-M112 CarbonylContact O-C 3.5Å; Q99-M112 WeakPolarHBondContact O-CA 3.47Å; Q99-V113 PolarHBondContact N-O 3.07Å; Q99-V113 PolarHBondContact O-N 3.5Å |
| 100 | L | 85.7 | Confident | 81 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.8 | 172.3 | 177.5 | 61.4 | 0 | 0 | 0 | 111.4 | L18 L35 F38 M110 M112 | L18-L100 HydrophobicContact CD1-CD2 3.99Å; L18-L100 HydrophobicContact CD1-CG 4.32Å; L18-L100 HydrophobicContact CD2-CD2 4.01Å; L18-L100 HydrophobicContact CD2-CG 4.29Å; L35-L100 HydrophobicContact CD1-CD2 3.41Å; L35-L100 VanDerWaalsContact CD1-CD2 3.41Å; L35-L100 HydrophobicContact CG-CD2 4.34Å; F38-L100 HydrophobicContact CE1-CD1 4.11Å; L100-M110 HydrophobicContact CD1-CB 3.82Å; L100-M110 HydrophobicContact CD1-CG 4.32Å; L100-M110 HydrophobicContact CD1-SD 4.34Å; L100-M110 HydrophobicContact CD2-SD 4.33Å; L100-M112 HydrophobicContact CB-SD 3.66Å; L100-M112 HydrophobicContact CD1-CG 4.43Å; L100-M112 HydrophobicContact CD1-SD 3.52Å; L100-M112 VanDerWaalsContact CD1-SD 3.52Å; L100-M112 HydrophobicContact CG-SD 4.11Å |
| 101 | H | 80.8 | Confident | 80.8 | Confident | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.2 | 168.9 | -63.3 | -95.4 | 0 | 0 | 0 | 108.7 | Q99 L111 | Q99-H101 VanDerWaalsContact CD-NE2 3.31Å; Q99-H101 PolarHBondContact OE1-CE1 3.43Å; Q99-H101 PolarHBondContact OE1-NE2 3.08Å; H101-L111 HydrophobicContact CB-CB 4.21Å; H101-L111 HydrophobicContact CB-CD2 4.32Å; H101-L111 PolarHBondContact N-O 2.83Å; H101-L111 WeakPolarHBondContact O-CA 3.45Å; H101-L111 WeakPolarHBondContact O-CB 3.3Å; H101-L111 PolarHBondContact O-N 3.17Å |
| 102 | S | 70.9 | Confident | 80.8 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.6 | 172.5 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 103 | A | 56.8 | Low | 80.9 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q109 | A103-Q109 PolarHBondContact N-O 2.85Å; A103-Q109 VanDerWaalsContact N-O 3.15Å; A103-Q109 WeakPolarHBondContact O-CB 3.25Å |
| 104 | G | 56.1 | Low | 81 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | trans | 84.7 | 153.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 105 | S | 54.8 | Low | 81 | Confident | 115 Ų | 115 | 47.4 Ų | 47.4 | 80% | 0.804 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -116 | -5.4 | -169.7 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 106 | T | 58 | Low | 81.1 | Confident | 128 Ų | 128 | 46.4 Ų | 46.4 | 79% | 0.785 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -114.9 | -31.1 | -178.4 | 47.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 107 | V | 67.1 | Low | 81.2 | Confident | 58 Ų | 58 | 43 Ų | 43 | 35% | 0.352 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -118.7 | 134.8 | 167.2 | 178.4 | 0 | 0 | 0 | 0 | 106.4 | Q109 | V107-Q109 HydrophobicContact CB-CG 4.28Å; V107-Q109 HydrophobicContact CG1-CG 3.97Å; V107-Q109 PolarHBondContact O-N 2.64Å; V107-Q109 VanDerWaalsContact O-N 3.09Å |
| 108 | L | 79.4 | Confident | 81.4 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 107.6 | 174.6 | -176.5 | 68.2 | 0 | 0 | 0 | 108.3 | V21 Y25 M110 S150 K151 L153 W161 | V21-L108 HydrophobicContact CG1-CD1 3.76Å; Y25-L108 HydrophobicContact CD1-CD2 3.87Å; Y25-L108 HydrophobicContact CD2-CD2 3.44Å; Y25-L108 VanDerWaalsContact CD2-CD2 3.44Å; Y25-L108 HydrophobicContact CD2-CG 4.45Å; Y25-L108 HydrophobicContact CE1-CD2 3.89Å; Y25-L108 HydrophobicContact CE2-CD2 3.45Å; Y25-L108 VanDerWaalsContact CE2-CD2 3.45Å; Y25-L108 HydrophobicContact CG-CD2 3.62Å; L108-M110 HydrophobicContact CD1-CE 4.1Å; L108-M110 HydrophobicContact CD2-CE 3.97Å; L108-M110 HydrophobicContact CG-CE 4.23Å; L108-S150 WeakPolarHBondContact O-CA 3.5Å; L108-K151 PolarHBondContact O-N 3.18Å; L108-L153 HydrophobicContact CB-CD2 4.48Å; L108-W161 HydrophobicContact CB-CH2 4.39Å; L108-W161 HydrophobicContact CD2-CH2 3.27Å; L108-W161 HydrophobicContact CD2-CZ2 3.56Å; L108-W161 HydrophobicContact CD2-CZ3 4.33Å; L108-W161 HydrophobicContact CG-CH2 3.57Å; L108-W161 HydrophobicContact CG-CZ2 4.36Å; L108-W161 HydrophobicContact CG-CZ3 4.27Å |
| 109 | Q | 87.1 | Confident | 81.5 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.9 | 176.8 | -60.5 | 178.1 | -44.6 | 0 | 0 | 110.3 | A103 V107 R148 L149 D164 | A103-Q109 PolarHBondContact N-O 2.85Å; A103-Q109 VanDerWaalsContact N-O 3.15Å; A103-Q109 WeakPolarHBondContact O-CB 3.25Å; V107-Q109 HydrophobicContact CB-CG 4.28Å; V107-Q109 HydrophobicContact CG1-CG 3.97Å; V107-Q109 PolarHBondContact O-N 2.64Å; V107-Q109 VanDerWaalsContact O-N 3.09Å; Q109-R148 HydrophobicContact CB-CG 4.23Å; Q109-L149 WeakPolarHBondContact CA-O 3.41Å; Q109-D164 PolarHBondContact NE2-OD2 3.26Å |
| 110 | M | 88.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.1 | 178.8 | -71 | -159.1 | -167.6 | 0 | 0 | 108.8 | I22 F33 F38 L100 L108 R148 L149 W161 | I22-M110 HydrophobicContact CG1-CE 4.48Å; F33-M110 HydrophobicContact CE1-CE 3.93Å; F33-M110 HydrophobicContact CE2-CE 4.3Å; F33-M110 HydrophobicContact CZ-CE 3.44Å; F33-M110 VanDerWaalsContact CZ-CE 3.44Å; F33-M110 HydrophobicContact CZ-SD 4.13Å; F38-M110 HydrophobicContact CD1-SD 3.59Å; F38-M110 VanDerWaalsContact CD1-SD 3.59Å; F38-M110 HydrophobicContact CD2-SD 4.04Å; F38-M110 HydrophobicContact CE1-CB 3.69Å; F38-M110 HydrophobicContact CE1-CG 4.16Å; F38-M110 HydrophobicContact CE1-SD 3.38Å; F38-M110 WeakPolarHBondContact CE1-SD 3.18Å; F38-M110 HydrophobicContact CE2-CB 4.18Å; F38-M110 HydrophobicContact CE2-CG 4.44Å; F38-M110 HydrophobicContact CE2-SD 3.83Å; F38-M110 HydrophobicContact CG-SD 3.94Å; F38-M110 HydrophobicContact CZ-CB 3.32Å; F38-M110 HydrophobicContact CZ-CG 3.92Å; F38-M110 HydrophobicContact CZ-SD 3.51Å; F38-M110 VanDerWaalsContact CZ-SD 3.51Å; L100-M110 HydrophobicContact CD1-CB 3.82Å; L100-M110 HydrophobicContact CD1-CG 4.32Å; L100-M110 HydrophobicContact CD1-SD 4.34Å; L100-M110 HydrophobicContact CD2-SD 4.33Å; L108-M110 HydrophobicContact CD1-CE 4.1Å; L108-M110 HydrophobicContact CD2-CE 3.97Å; L108-M110 HydrophobicContact CG-CE 4.23Å; M110-R148 WeakPolarHBondContact O-CA 3.42Å; M110-L149 PolarHBondContact N-O 2.99Å; M110-L149 PolarHBondContact O-N 3.29Å; M110-W161 HydrophobicContact CB-CH2 4.39Å; M110-W161 HydrophobicContact CB-CZ3 4.26Å; M110-W161 HydrophobicContact CE-CH2 3.94Å; M110-W161 HydrophobicContact CE-CZ2 4.33Å; M110-W161 HydrophobicContact CG-CH2 3.85Å; M110-W161 HydrophobicContact CG-CZ3 4.17Å; M110-W161 HydrophobicContact SD-CH2 4.01Å |
| 111 | L | 91.2 | Very high | 81.7 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.7 | -179.8 | 176.1 | 70.1 | 0 | 0 | 0 | 109.5 | H101 N146 L147 R148 Y165 | H101-L111 HydrophobicContact CB-CB 4.21Å; H101-L111 HydrophobicContact CB-CD2 4.32Å; H101-L111 PolarHBondContact N-O 2.83Å; H101-L111 WeakPolarHBondContact O-CA 3.45Å; H101-L111 WeakPolarHBondContact O-CB 3.3Å; H101-L111 PolarHBondContact O-N 3.17Å; L111-N146 HydrophobicContact CD1-CB 4.23Å; L111-L147 CarbonylContact C-O 3.59Å; L111-L147 WeakPolarHBondContact CA-O 3.1Å; L111-R148 HydrophobicContact CB-CG 4.39Å; L111-R148 HydrophobicContact CD1-CB 3.91Å; L111-Y165 HydrophobicContact CD1-CD1 4.45Å |
| 112 | M | 93.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.3 | 168.9 | -63.9 | -62.5 | -72.4 | 0 | 0 | 110.3 | F38 E39 A42 Q99 L100 Y114 N146 L147 L149 | F38-M112 HydrophobicContact CE1-SD 4.36Å; E39-M112 HydrophobicContact CB-CE 4.5Å; E39-M112 HydrophobicContact CG-CE 4.2Å; A42-M112 HydrophobicContact CB-CG 3.79Å; Q99-M112 CarbonylContact O-C 3.5Å; Q99-M112 WeakPolarHBondContact O-CA 3.47Å; L100-M112 HydrophobicContact CB-SD 3.66Å; L100-M112 HydrophobicContact CD1-CG 4.43Å; L100-M112 HydrophobicContact CD1-SD 3.52Å; L100-M112 VanDerWaalsContact CD1-SD 3.52Å; L100-M112 HydrophobicContact CG-SD 4.11Å; M112-Y114 HydrophobicContact CB-CD2 4.31Å; M112-Y114 HydrophobicContact CB-CE1 4.31Å; M112-Y114 HydrophobicContact CB-CE2 3.5Å; M112-Y114 VanDerWaalsContact CB-CZ 3.5Å; M112-Y114 WeakPolarHBondContact CB-OH 3.24Å; M112-Y114 HydrophobicContact CE-CE1 4.08Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å; M112-N146 CarbonylContact O-C 3.57Å; M112-N146 WeakPolarHBondContact O-CA 3.36Å; M112-L147 PolarHBondContact N-O 2.83Å; M112-L147 PolarHBondContact O-N 3.22Å; M112-L149 HydrophobicContact CG-CD1 4.39Å |
| 113 | V | 93.3 | Very high | 82.8 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.1 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | R98 Q99 V144 A145 N146 | R98-V113 CarbonylContact C-O 3.57Å; R98-V113 VanDerWaalsContact CA-O 3.24Å; R98-V113 WeakPolarHBondContact CA-O 3.22Å; Q99-V113 PolarHBondContact N-O 3.07Å; Q99-V113 PolarHBondContact O-N 3.5Å; V113-V144 HydrophobicContact CG1-CG1 4.13Å; V113-A145 CarbonylContact C-O 3.5Å; V113-N146 WeakPolarHBondContact CG2-OD1 3.15Å |
| 114 | Y | 94.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.9 | 179.1 | -58.2 | -74.4 | 0 | 0 | 0 | 109.6 | A42 L43 F46 V95 R98 M112 V144 A145 L147 | A42-Y114 PolarHBondContact O-OH 3.31Å; L43-Y114 HydrophobicContact CD1-CD1 4.4Å; L43-Y114 HydrophobicContact CD1-CE1 4Å; L43-Y114 PolarHBondContact N-OH 3.23Å; F46-Y114 HydrophobicContact CB-CD2 4.23Å; F46-Y114 HydrophobicContact CB-CE2 3.65Å; F46-Y114 HydrophobicContact CD1-CD2 4.26Å; F46-Y114 HydrophobicContact CD1-CE2 4.44Å; F46-Y114 HydrophobicContact CD1-CG 4.34Å; F46-Y114 AromaticContact CD2-CD2 3.56Å; F46-Y114 HydrophobicContact CD2-CD2 3.56Å; F46-Y114 AromaticContact CD2-CE2 3.79Å; F46-Y114 HydrophobicContact CD2-CE2 3.79Å; F46-Y114 HydrophobicContact CD2-CG 4.32Å; F46-Y114 HydrophobicContact CE1-CG 4.44Å; F46-Y114 AromaticContact CE2-CD2 3.94Å; F46-Y114 HydrophobicContact CE2-CD2 3.94Å; F46-Y114 HydrophobicContact CE2-CG 4.44Å; F46-Y114 AromaticContact CG-CD2 3.73Å; F46-Y114 HydrophobicContact CG-CD2 3.73Å; F46-Y114 AromaticContact CG-CE2 3.68Å; F46-Y114 HydrophobicContact CG-CE2 3.68Å; F46-Y114 HydrophobicContact CG-CG 4.26Å; F46-Y114 HydrophobicContact CZ-CD2 4.41Å; F46-Y114 HydrophobicContact CZ-CG 4.47Å; V95-Y114 HydrophobicContact CG1-CD1 4.01Å; R98-Y114 HydrophobicContact CB-CD1 3.76Å; R98-Y114 HydrophobicContact CB-CE1 4.01Å; M112-Y114 HydrophobicContact CB-CD2 4.31Å; M112-Y114 HydrophobicContact CB-CE1 4.31Å; M112-Y114 HydrophobicContact CB-CE2 3.5Å; M112-Y114 VanDerWaalsContact CB-CZ 3.5Å; M112-Y114 WeakPolarHBondContact CB-OH 3.24Å; M112-Y114 HydrophobicContact CE-CE1 4.08Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å; Y114-V144 CarbonylContact O-C 3.6Å; Y114-V144 WeakPolarHBondContact O-CA 3.36Å; Y114-A145 PolarHBondContact N-O 2.94Å; Y114-A145 PolarHBondContact O-N 3.08Å; Y114-L147 HydrophobicContact CD2-CB 4.47Å; Y114-L147 HydrophobicContact CE2-CB 3.91Å; Y114-L147 HydrophobicContact CE2-CD2 4.21Å |
| 115 | H | 93.4 | Very high | 85.6 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.1 | 166.9 | -61.3 | 53.6 | 0 | 0 | 0 | 107.5 | Y96 F97 | Y96-H115 WeakPolarHBondContact CD1-O 3.43Å; Y96-H115 HydrophobicContact CE1-CB 3.95Å; Y96-H115 HydrophobicContact CE2-CB 3.82Å; Y96-H115 PolarHBondContact N-O 3.24Å; F97-H115 HydrophobicContact CB-CB 4.14Å; F97-H115 HydrophobicContact CD1-CB 4.45Å; F97-H115 AromaticContact CD1-CE1 3.89Å; F97-H115 AromaticContact CD1-CG 3.97Å; F97-H115 AromaticContact CD1-ND1 3.46Å; F97-H115 WeakPolarHBondContact CD1-ND1 3.48Å; F97-H115 PolarHBondContact N-O 2.85Å; F97-H115 PolarHBondContact O-N 3.01Å |
| 116 | A | 93.7 | Very high | 87 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L90 D94 V95 F142 V143 | L90-A116 HydrophobicContact CD1-CB 3.97Å; L90-A116 HydrophobicContact CD2-CB 3.97Å; L90-A116 HydrophobicContact CG-CB 4.5Å; D94-A116 HydrophobicContact CB-CB 4.26Å; D94-A116 CarbonylContact O-C 3.54Å; D94-A116 VanDerWaalsContact O-CA 3.23Å; D94-A116 WeakPolarHBondContact O-CA 3.37Å; V95-A116 HydrophobicContact CG2-CB 4.41Å; A116-F142 WeakPolarHBondContact O-CA 2.96Å; A116-V143 PolarHBondContact N-O 3.32Å; A116-V143 PolarHBondContact O-N 3.05Å |
| 117 | F | 92.6 | Very high | 88 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.3 | 167.1 | 178.9 | -81.8 | 0 | 0 | 0 | 106.8 | D94 Y96 K119 R120 Y123 V138 R141 F142 | D94-F117 VanDerWaalsContact CB-O 3.26Å; D94-F117 WeakPolarHBondContact CB-O 3.47Å; D94-F117 PolarHBondContact O-N 3.01Å; Y96-F117 HydrophobicContact CD1-CB 4.13Å; Y96-F117 HydrophobicContact CE1-CB 4.21Å; F117-K119 PolarHBondContact O-N 3.39Å; F117-R120 HydrophobicContact CB-CB 4.19Å; F117-R120 HydrophobicContact CB-CG 4.44Å; F117-R120 VanDerWaalsContact CD1-CA 3.45Å; F117-R120 HydrophobicContact CD1-CB 3.77Å; F117-R120 HydrophobicContact CD1-CG 4.22Å; F117-R120 HydrophobicContact CG-CB 4.43Å; F117-R120 WeakPolarHBondContact O-CB 3.39Å; F117-R120 PolarHBondContact O-N 3.1Å; F117-Y123 AromaticContact CE1-CD1 3.78Å; F117-Y123 HydrophobicContact CE1-CD1 3.78Å; F117-Y123 AromaticContact CE1-CG 3.73Å; F117-Y123 HydrophobicContact CE1-CG 3.73Å; F117-Y123 AromaticContact CZ-CD1 3.62Å; F117-Y123 HydrophobicContact CZ-CD1 3.62Å; F117-Y123 HydrophobicContact CZ-CD2 4.35Å; F117-Y123 HydrophobicContact CZ-CE1 4.06Å; F117-Y123 AromaticContact CZ-CG 3.78Å; F117-Y123 HydrophobicContact CZ-CG 3.78Å; F117-V138 HydrophobicContact CE2-CB 4.04Å; F117-V138 HydrophobicContact CE2-CG2 3.58Å; F117-V138 HydrophobicContact CZ-CB 4.07Å; F117-V138 HydrophobicContact CZ-CG2 3.87Å; F117-R141 HydrophobicContact CD2-CB 4.11Å; F117-R141 HydrophobicContact CE1-CB 4.43Å; F117-R141 HydrophobicContact CE2-CB 3.84Å; F117-R141 HydrophobicContact CZ-CB 4.05Å; F117-R141 HydrophobicContact CZ-CG 4.46Å; F117-F142 HydrophobicContact CB-CD1 4.29Å; F117-F142 HydrophobicContact CB-CE1 4.31Å; F117-F142 AromaticContact CD2-CD1 3.86Å; F117-F142 HydrophobicContact CD2-CD1 3.86Å; F117-F142 AromaticContact CD2-CE1 3.58Å; F117-F142 HydrophobicContact CD2-CE1 3.58Å; F117-F142 HydrophobicContact CD2-CE2 4.23Å; F117-F142 HydrophobicContact CD2-CG 4.32Å; F117-F142 AromaticContact CD2-CZ 3.75Å; F117-F142 HydrophobicContact CD2-CZ 3.75Å; F117-F142 HydrophobicContact CE2-CE1 4.44Å; F117-F142 HydrophobicContact CE2-CE2 4.4Å; F117-F142 HydrophobicContact CE2-CZ 4.17Å; F117-F142 HydrophobicContact CG-CE1 4.4Å |
| 118 | Y | 93.8 | Very high | 88.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 127.5 | -176.1 | 178.1 | -119.4 | 0 | 0 | 0 | 111.3 | W86 D89 L90 R141 | W86-Y118 HydrophobicContact CB-CE1 4.32Å; W86-Y118 HydrophobicContact CD2-CD1 4.46Å; W86-Y118 AromaticContact CE3-CD1 3.61Å; W86-Y118 HydrophobicContact CE3-CD1 3.61Å; W86-Y118 HydrophobicContact CE3-CD2 4.29Å; W86-Y118 HydrophobicContact CE3-CE1 4.05Å; W86-Y118 AromaticContact CE3-CG 3.74Å; W86-Y118 HydrophobicContact CE3-CG 3.74Å; W86-Y118 HydrophobicContact CZ3-CD1 4.11Å; W86-Y118 HydrophobicContact CZ3-CG 4.05Å; D89-Y118 HydrophobicContact CB-CE2 3.88Å; D89-Y118 WeakPolarHBondContact O-CE2 3.36Å; D89-Y118 PolarHBondContact OD2-OH 2.86Å; L90-Y118 HydrophobicContact CD2-CD2 4.26Å; Y118-R141 PolarHBondContact N-O 2.9Å |
| 119 | K | 92.2 | Very high | 88.2 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 45.6 | -176.5 | -65.8 | 175.7 | 156.8 | -117.1 | 0 | 112.6 | D94 F117 Q121 E122 Y123 | D94-K119 WeakPolarHBondContact OD1-CA 3.45Å; D94-K119 PolarHBondContact OD1-N 2.81Å; F117-K119 PolarHBondContact O-N 3.39Å; K119-Q121 VanDerWaalsContact C-N 3.35Å; K119-Q121 PolarHBondContact O-N 2.79Å; K119-E122 HydrophobicContact CB-CB 4.22Å; K119-E122 HydrophobicContact CB-CG 4.32Å; K119-E122 WeakPolarHBondContact CD-OE2 3.4Å; K119-E122 WeakPolarHBondContact CE-OE1 3.46Å; K119-E122 WeakPolarHBondContact CG-OE1 3.41Å; K119-E122 VanDerWaalsContact NZ-CD 3.26Å; K119-E122 IonicContact NZ-OE1 3.81Å; K119-E122 PolarHBondContact NZ-OE1 3.43Å; K119-E122 IonicContact NZ-OE2 3.92Å; K119-E122 PolarHBondContact NZ-OE2 3.42Å; K119-E122 PolarHBondContact O-N 3.47Å; K119-Y123 WeakPolarHBondContact O-CB 3.48Å; K119-Y123 PolarHBondContact O-N 3.28Å |
| 120 | R | 88.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 66 Ų | 66 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -46.9 | -177.3 | -177.7 | 172.3 | 170.2 | -111.6 | -0.4 | 112.6 | D94 F117 Y123 Q124 | D94-R120 PolarHBondContact OD1-N 2.78Å; F117-R120 HydrophobicContact CB-CB 4.19Å; F117-R120 HydrophobicContact CB-CG 4.44Å; F117-R120 VanDerWaalsContact CD1-CA 3.45Å; F117-R120 HydrophobicContact CD1-CB 3.77Å; F117-R120 HydrophobicContact CD1-CG 4.22Å; F117-R120 HydrophobicContact CG-CB 4.43Å; F117-R120 WeakPolarHBondContact O-CB 3.39Å; F117-R120 PolarHBondContact O-N 3.1Å; R120-Y123 PolarHBondContact O-N 2.88Å; R120-Q124 HydrophobicContact CG-CG 4.33Å; R120-Q124 WeakPolarHBondContact O-CB 3.29Å; R120-Q124 VanDerWaalsContact O-CG 3.27Å; R120-Q124 WeakPolarHBondContact O-CG 3.17Å; R120-Q124 PolarHBondContact O-N 3.15Å |
| 121 | Q | 87.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | -176.8 | -163.9 | 175.2 | -7.4 | 0 | 0 | 111.1 | K119 Y123 Q124 E125 | K119-Q121 VanDerWaalsContact C-N 3.35Å; K119-Q121 PolarHBondContact O-N 2.79Å; Q121-Y123 VanDerWaalsContact C-N 3.27Å; Q121-Y123 PolarHBondContact O-N 2.93Å; Q121-Q124 PolarHBondContact O-N 3.26Å; Q121-Q124 VanDerWaalsContact O-N 3.16Å; Q121-E125 WeakPolarHBondContact O-CG 3.43Å; Q121-E125 PolarHBondContact O-N 3.27Å |
| 122 | E | 89.3 | Confident | 86.8 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.7 | -42 | 174.9 | -59.6 | 176.8 | -149.1 | 0 | 0 | 111.5 | K119 E125 T126 | K119-E122 HydrophobicContact CB-CB 4.22Å; K119-E122 HydrophobicContact CB-CG 4.32Å; K119-E122 WeakPolarHBondContact CD-OE2 3.4Å; K119-E122 WeakPolarHBondContact CE-OE1 3.46Å; K119-E122 WeakPolarHBondContact CG-OE1 3.41Å; K119-E122 VanDerWaalsContact NZ-CD 3.26Å; K119-E122 IonicContact NZ-OE1 3.81Å; K119-E122 PolarHBondContact NZ-OE1 3.43Å; K119-E122 IonicContact NZ-OE2 3.92Å; K119-E122 PolarHBondContact NZ-OE2 3.42Å; K119-E122 PolarHBondContact O-N 3.47Å; E122-E125 PolarHBondContact O-N 2.85Å; E122-T126 PolarHBondContact O-N 3.44Å; E122-T126 PolarHBondContact O-OG1 2.89Å |
| 123 | Y | 87.2 | Confident | 86.3 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 10% | 0.102 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 179.6 | -174.3 | -102 | 0 | 0 | 0 | 113.2 | F117 K119 R120 Q121 E125 T126 T127 M130 V138 | F117-Y123 AromaticContact CE1-CD1 3.78Å; F117-Y123 HydrophobicContact CE1-CD1 3.78Å; F117-Y123 AromaticContact CE1-CG 3.73Å; F117-Y123 HydrophobicContact CE1-CG 3.73Å; F117-Y123 AromaticContact CZ-CD1 3.62Å; F117-Y123 HydrophobicContact CZ-CD1 3.62Å; F117-Y123 HydrophobicContact CZ-CD2 4.35Å; F117-Y123 HydrophobicContact CZ-CE1 4.06Å; F117-Y123 AromaticContact CZ-CG 3.78Å; F117-Y123 HydrophobicContact CZ-CG 3.78Å; K119-Y123 WeakPolarHBondContact O-CB 3.48Å; K119-Y123 PolarHBondContact O-N 3.28Å; R120-Y123 PolarHBondContact O-N 2.88Å; Q121-Y123 VanDerWaalsContact C-N 3.27Å; Q121-Y123 PolarHBondContact O-N 2.93Å; Y123-E125 VanDerWaalsContact C-N 3.32Å; Y123-T126 PolarHBondContact O-N 3.35Å; Y123-T126 PolarHBondContact O-OG1 3.43Å; Y123-T127 HydrophobicContact CE1-CG2 4.14Å; Y123-T127 WeakPolarHBondContact CE2-OG1 3.26Å; Y123-T127 VanDerWaalsContact O-CB 3.22Å; Y123-T127 WeakPolarHBondContact O-CB 3.35Å; Y123-T127 PolarHBondContact O-N 3.43Å; Y123-T127 VanDerWaalsContact O-N 3.16Å; Y123-T127 PolarHBondContact O-OG1 3.25Å; Y123-M130 HydrophobicContact CE1-CE 4.1Å; Y123-V138 HydrophobicContact CD2-CG1 4.46Å; Y123-V138 HydrophobicContact CE1-CG2 4.37Å; Y123-V138 HydrophobicContact CE2-CG1 3.57Å; Y123-V138 WeakPolarHBondContact OH-CG1 3.37Å |
| 124 | Q | 85.2 | Confident | 85.8 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68 | -32.8 | 176.9 | -76.6 | 178.8 | -41.2 | 0 | 0 | 112.1 | R120 Q121 T126 | R120-Q124 HydrophobicContact CG-CG 4.33Å; R120-Q124 WeakPolarHBondContact O-CB 3.29Å; R120-Q124 VanDerWaalsContact O-CG 3.27Å; R120-Q124 WeakPolarHBondContact O-CG 3.17Å; R120-Q124 PolarHBondContact O-N 3.15Å; Q121-Q124 PolarHBondContact O-N 3.26Å; Q121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-T126 VanDerWaalsContact C-N 3.33Å |
| 125 | E | 85.4 | Confident | 85.2 | Confident | 146 Ų | 146 | 82.4 Ų | 82.4 | 68% | 0.682 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.3 | -28.8 | 176.5 | -71.3 | 170.3 | -170.8 | 0 | 0 | 112.7 | Q121 E122 Y123 | Q121-E125 WeakPolarHBondContact O-CG 3.43Å; Q121-E125 PolarHBondContact O-N 3.27Å; E122-E125 PolarHBondContact O-N 2.85Å; Y123-E125 VanDerWaalsContact C-N 3.32Å |
| 126 | T | 84.1 | Confident | 84.7 | Confident | 111 Ų | 111 | 84 Ų | 84 | 68% | 0.681 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -95.6 | -12.2 | -178.7 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | E122 Y123 Q124 | E122-T126 PolarHBondContact O-N 3.44Å; E122-T126 PolarHBondContact O-OG1 2.89Å; Y123-T126 PolarHBondContact O-N 3.35Å; Y123-T126 PolarHBondContact O-OG1 3.43Å; Q124-T126 VanDerWaalsContact C-N 3.33Å |
| 127 | T | 80.1 | Confident | 84.3 | Confident | 28 Ų | 28 | 90.6 Ų | 90.6 | 17% | 0.172 | 45% | 0.447 | C | S | . | . | trans | -116.7 | 107.8 | -169.4 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | Y123 K134 | Y123-T127 HydrophobicContact CE1-CG2 4.14Å; Y123-T127 WeakPolarHBondContact CE2-OG1 3.26Å; Y123-T127 VanDerWaalsContact O-CB 3.22Å; Y123-T127 WeakPolarHBondContact O-CB 3.35Å; Y123-T127 PolarHBondContact O-N 3.43Å; Y123-T127 VanDerWaalsContact O-N 3.16Å; Y123-T127 PolarHBondContact O-OG1 3.25Å; T127-K134 HydrophobicContact CG2-CD 4.3Å | ||
| 128 | E | 74.4 | Confident | 84.1 | Confident | 196 Ų | 196 | 90.6 Ų | 90.6 | 92% | 0.916 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -71.5 | -34.9 | -177.5 | -65.5 | -178.5 | 164.8 | 0 | 0 | 113.3 | ||
| 129 | E | 76.1 | Confident | 83.7 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 73% | 0.729 | 46% | 0.459 | S | S | * | . | trans | -145.5 | 140.5 | 178.6 | -69.6 | -172 | 165 | 0 | 0 | 112.4 | K134 | E129-K134 WeakPolarHBondContact O-CD 3.29Å; E129-K134 PolarHBondContact O-NZ 3.15Å | ||
| 130 | M | 75.6 | Confident | 83.6 | Confident | 110 Ų | 110 | 94.8 Ų | 94.8 | 54% | 0.542 | 47% | 0.465 | S | S | . | . | trans | -101.8 | 98.9 | -179.6 | -168.4 | 168.6 | -59.2 | 0 | 0 | 110.4 | Y123 I135 | Y123-M130 HydrophobicContact CE1-CE 4.1Å; M130-I135 HydrophobicContact CG-CD1 3.87Å; M130-I135 HydrophobicContact CG-CG1 3.49Å; M130-I135 VanDerWaalsContact CG-CG1 3.49Å; M130-I135 HydrophobicContact SD-CD1 4.09Å; M130-I135 HydrophobicContact SD-CG1 3.79Å | ||
| 131 | S | 79.6 | Confident | 83.7 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | trans | -85.2 | 162.3 | 169.2 | 67.7 | 0 | 0 | 0 | 0 | 111 | D133 K134 I135 | S131-D133 PolarHBondContact O-N 3.36Å; S131-K134 PolarHBondContact O-N 3.22Å; S131-K134 WeakPolarHBondContact OG-CG 3.37Å; S131-K134 PolarHBondContact OG-N 3.02Å; S131-I135 WeakPolarHBondContact O-CG1 3.37Å; S131-I135 PolarHBondContact O-N 3.26Å | ||
| 132 | T | 81.3 | Confident | 83.9 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 64% | 0.638 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -55.4 | -41.2 | 173.5 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | I135 L136 | T132-I135 WeakPolarHBondContact O-CB 3.26Å; T132-I135 PolarHBondContact O-N 3.49Å; T132-L136 WeakPolarHBondContact O-CG 3.45Å; T132-L136 PolarHBondContact O-N 2.9Å |
| 133 | D | 83.8 | Confident | 84.2 | Confident | 110 Ų | 110 | 86.4 Ų | 86.4 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 178.6 | -63 | -30.3 | 0 | 0 | 0 | 111.6 | S131 I135 L136 E137 | S131-D133 PolarHBondContact O-N 3.36Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.46Å; D133-L136 WeakPolarHBondContact O-CB 3.35Å; D133-L136 PolarHBondContact O-N 2.94Å; D133-L136 VanDerWaalsContact O-N 3.09Å; D133-E137 WeakPolarHBondContact O-CG 3.33Å; D133-E137 PolarHBondContact O-N 2.86Å |
| 134 | K | 83.4 | Confident | 84.5 | Confident | 72 Ų | 72 | 86.9 Ų | 86.9 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61 | -41 | 174.4 | -73.7 | -178.5 | -176.2 | -179.7 | 0 | 111.8 | T127 E129 S131 L136 E137 V138 | T127-K134 HydrophobicContact CG2-CD 4.3Å; E129-K134 WeakPolarHBondContact O-CD 3.29Å; E129-K134 PolarHBondContact O-NZ 3.15Å; S131-K134 PolarHBondContact O-N 3.22Å; S131-K134 WeakPolarHBondContact OG-CG 3.37Å; S131-K134 PolarHBondContact OG-N 3.02Å; K134-L136 VanDerWaalsContact C-N 3.26Å; K134-L136 PolarHBondContact O-N 3.49Å; K134-E137 WeakPolarHBondContact O-CB 3.41Å; K134-E137 PolarHBondContact O-N 3.07Å; K134-E137 VanDerWaalsContact O-N 3.16Å; K134-V138 WeakPolarHBondContact O-CG2 3.36Å; K134-V138 PolarHBondContact O-N 3.49Å |
| 135 | I | 81.6 | Confident | 85 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 33% | 0.328 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.2 | -66.9 | 170 | 0 | 0 | 0 | 110.4 | M130 S131 T132 D133 V138 R139 F142 | M130-I135 HydrophobicContact CG-CD1 3.87Å; M130-I135 HydrophobicContact CG-CG1 3.49Å; M130-I135 VanDerWaalsContact CG-CG1 3.49Å; M130-I135 HydrophobicContact SD-CD1 4.09Å; M130-I135 HydrophobicContact SD-CG1 3.79Å; S131-I135 WeakPolarHBondContact O-CG1 3.37Å; S131-I135 PolarHBondContact O-N 3.26Å; T132-I135 WeakPolarHBondContact O-CB 3.26Å; T132-I135 PolarHBondContact O-N 3.49Å; D133-I135 VanDerWaalsContact C-N 3.33Å; D133-I135 PolarHBondContact O-N 3.46Å; I135-V138 PolarHBondContact O-N 2.84Å; I135-R139 WeakPolarHBondContact O-CA 3.21Å; I135-R139 WeakPolarHBondContact O-CB 3.4Å; I135-R139 PolarHBondContact O-N 2.82Å; I135-F142 HydrophobicContact CG2-CE2 4.24Å |
| 136 | L | 83.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177 | -68.2 | 172.3 | 0 | 0 | 0 | 112.4 | T132 D133 K134 R139 | T132-L136 WeakPolarHBondContact O-CG 3.45Å; T132-L136 PolarHBondContact O-N 2.9Å; D133-L136 WeakPolarHBondContact O-CB 3.35Å; D133-L136 PolarHBondContact O-N 2.94Å; D133-L136 VanDerWaalsContact O-N 3.09Å; K134-L136 VanDerWaalsContact C-N 3.26Å; K134-L136 PolarHBondContact O-N 3.49Å; L136-R139 WeakPolarHBondContact O-CD 3.4Å; L136-R139 WeakPolarHBondContact O-CG 3.32Å; L136-R139 PolarHBondContact O-NE 3.16Å; L136-R139 VanDerWaalsContact O-NE 3.11Å |
| 137 | E | 85.4 | Confident | 85.9 | Confident | 139 Ų | 139 | 72 Ų | 72 | 65% | 0.65 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 175.3 | -70.2 | 173.4 | 179.1 | 0 | 0 | 111.7 | D133 K134 H140 | D133-E137 WeakPolarHBondContact O-CG 3.33Å; D133-E137 PolarHBondContact O-N 2.86Å; K134-E137 WeakPolarHBondContact O-CB 3.41Å; K134-E137 PolarHBondContact O-N 3.07Å; K134-E137 VanDerWaalsContact O-N 3.16Å; E137-H140 PolarHBondContact O-CE1 2.82Å; E137-H140 PolarHBondContact O-ND1 3.45Å |
| 138 | V | 87.9 | Confident | 86.6 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -93 | 5.3 | -178 | -57.2 | 0 | 0 | 0 | 0 | 114.6 | F117 Y123 K134 I135 H140 R141 | F117-V138 HydrophobicContact CE2-CB 4.04Å; F117-V138 HydrophobicContact CE2-CG2 3.58Å; F117-V138 HydrophobicContact CZ-CB 4.07Å; F117-V138 HydrophobicContact CZ-CG2 3.87Å; Y123-V138 HydrophobicContact CD2-CG1 4.46Å; Y123-V138 HydrophobicContact CE1-CG2 4.37Å; Y123-V138 HydrophobicContact CE2-CG1 3.57Å; Y123-V138 WeakPolarHBondContact OH-CG1 3.37Å; K134-V138 WeakPolarHBondContact O-CG2 3.36Å; K134-V138 PolarHBondContact O-N 3.49Å; I135-V138 PolarHBondContact O-N 2.84Å; V138-H140 PolarHBondContact O-N 3.02Å; V138-R141 VanDerWaalsContact O-CB 3.3Å; V138-R141 WeakPolarHBondContact O-CB 3.46Å; V138-R141 PolarHBondContact O-N 3.32Å |
| 139 | R | 85.7 | Confident | 87.5 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -55.8 | -30.7 | -175.5 | 69.6 | -164.4 | 163.3 | 172.2 | 7.8 | 114 | I135 L136 R141 F142 P173 | I135-R139 WeakPolarHBondContact O-CA 3.21Å; I135-R139 WeakPolarHBondContact O-CB 3.4Å; I135-R139 PolarHBondContact O-N 2.82Å; L136-R139 WeakPolarHBondContact O-CD 3.4Å; L136-R139 WeakPolarHBondContact O-CG 3.32Å; L136-R139 PolarHBondContact O-NE 3.16Å; L136-R139 VanDerWaalsContact O-NE 3.11Å; R139-R141 PolarHBondContact O-N 3.13Å; R139-R141 VanDerWaalsContact O-N 3.1Å; R139-F142 HydrophobicContact CB-CD2 4.39Å; R139-F142 WeakPolarHBondContact O-CD2 3.37Å; R139-F142 PolarHBondContact O-N 3.23Å; R139-F142 VanDerWaalsContact O-N 3.08Å; R139-P173 HydrophobicContact CG-CG 4.44Å; R139-P173 VanDerWaalsContact NE-CG 3.32Å |
| 140 | H | 89 | Confident | 88.2 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.4 | -17 | 176.3 | 66.3 | -87.3 | 0 | 0 | 0 | 112.8 | W86 E137 V138 Q170 | W86-H140 WeakPolarHBondContact CH2-O 3.33Å; E137-H140 PolarHBondContact O-CE1 2.82Å; E137-H140 PolarHBondContact O-ND1 3.45Å; V138-H140 PolarHBondContact O-N 3.02Å; H140-Q170 PolarHBondContact O-NE2 3.37Å |
| 141 | R | 91.9 | Very high | 88.7 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 28% | 0.275 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -85.6 | -10.9 | 177.4 | -59.1 | -173.1 | 176 | -163 | 0.3 | 113.6 | F117 Y118 V138 R139 | F117-R141 HydrophobicContact CD2-CB 4.11Å; F117-R141 HydrophobicContact CE1-CB 4.43Å; F117-R141 HydrophobicContact CE2-CB 3.84Å; F117-R141 HydrophobicContact CZ-CB 4.05Å; F117-R141 HydrophobicContact CZ-CG 4.46Å; Y118-R141 PolarHBondContact N-O 2.9Å; V138-R141 VanDerWaalsContact O-CB 3.3Å; V138-R141 WeakPolarHBondContact O-CB 3.46Å; V138-R141 PolarHBondContact O-N 3.32Å; R139-R141 PolarHBondContact O-N 3.13Å; R139-R141 VanDerWaalsContact O-N 3.1Å |
| 142 | F | 92.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.3 | 176.4 | -68.1 | -73.7 | 0 | 0 | 0 | 111 | Y96 A116 F117 I135 R139 I171 | Y96-F142 AromaticContact CE1-CD1 3.87Å; Y96-F142 HydrophobicContact CE1-CD1 3.87Å; Y96-F142 HydrophobicContact CE1-CE1 4.01Å; A116-F142 WeakPolarHBondContact O-CA 2.96Å; F117-F142 HydrophobicContact CB-CD1 4.29Å; F117-F142 HydrophobicContact CB-CE1 4.31Å; F117-F142 AromaticContact CD2-CD1 3.86Å; F117-F142 HydrophobicContact CD2-CD1 3.86Å; F117-F142 AromaticContact CD2-CE1 3.58Å; F117-F142 HydrophobicContact CD2-CE1 3.58Å; F117-F142 HydrophobicContact CD2-CE2 4.23Å; F117-F142 HydrophobicContact CD2-CG 4.32Å; F117-F142 AromaticContact CD2-CZ 3.75Å; F117-F142 HydrophobicContact CD2-CZ 3.75Å; F117-F142 HydrophobicContact CE2-CE1 4.44Å; F117-F142 HydrophobicContact CE2-CE2 4.4Å; F117-F142 HydrophobicContact CE2-CZ 4.17Å; F117-F142 HydrophobicContact CG-CE1 4.4Å; I135-F142 HydrophobicContact CG2-CE2 4.24Å; R139-F142 HydrophobicContact CB-CD2 4.39Å; R139-F142 WeakPolarHBondContact O-CD2 3.37Å; R139-F142 PolarHBondContact O-N 3.23Å; R139-F142 VanDerWaalsContact O-N 3.08Å; F142-I171 HydrophobicContact CB-CB 4.13Å; F142-I171 HydrophobicContact CB-CD1 3.77Å; F142-I171 HydrophobicContact CB-CG1 4Å; F142-I171 PolarHBondContact O-N 3.18Å; F142-I171 VanDerWaalsContact O-N 3.07Å |
| 143 | V | 94 | Very high | 88.3 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | W86 V87 L90 A116 Y168 G169 | W86-V143 HydrophobicContact CZ3-CG2 4.13Å; V87-V143 HydrophobicContact CG2-CB 4.49Å; V87-V143 HydrophobicContact CG2-CG1 3.77Å; V87-V143 HydrophobicContact CG2-CG2 3.84Å; L90-V143 HydrophobicContact CD1-CB 4.18Å; L90-V143 HydrophobicContact CD1-CG1 3.94Å; L90-V143 HydrophobicContact CD2-CG2 4.38Å; A116-V143 PolarHBondContact N-O 3.32Å; A116-V143 PolarHBondContact O-N 3.05Å; V143-Y168 HydrophobicContact CG1-CD1 4.43Å; V143-G169 CarbonylContact C-O 3.6Å; V143-G169 WeakPolarHBondContact CA-O 3.18Å |
| 144 | V | 94.1 | Very high | 87.7 | Confident | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.6 | 166.7 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | V113 Y114 G169 I171 | V113-V144 HydrophobicContact CG1-CG1 4.13Å; Y114-V144 CarbonylContact O-C 3.6Å; Y114-V144 WeakPolarHBondContact O-CA 3.36Å; V144-G169 PolarHBondContact N-O 3.17Å; V144-G169 PolarHBondContact O-N 3.04Å; V144-I171 HydrophobicContact CG2-CD1 3.73Å; V144-I171 HydrophobicContact CG2-CG1 3.85Å |
| 145 | A | 95 | Very high | 86.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F46 V113 Y114 N167 Y168 | F46-A145 HydrophobicContact CD2-CB 4.44Å; F46-A145 HydrophobicContact CE2-CB 3.43Å; F46-A145 VanDerWaalsContact CE2-CB 3.43Å; F46-A145 HydrophobicContact CZ-CB 3.95Å; V113-A145 CarbonylContact C-O 3.5Å; Y114-A145 PolarHBondContact N-O 2.94Å; Y114-A145 PolarHBondContact O-N 3.08Å; A145-N167 CarbonylContact C-O 3.09Å; A145-N167 WeakPolarHBondContact CA-O 3.15Å; A145-Y168 HydrophobicContact CB-CD1 3.81Å; A145-Y168 HydrophobicContact CB-CE1 3.93Å; A145-Y168 HydrophobicContact CB-CG 4.26Å |
| 146 | N | 94.3 | Very high | 86 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.5 | 175 | -63.9 | -35.2 | 0 | 0 | 0 | 107.9 | L111 M112 V113 Y165 A166 N167 | L111-N146 HydrophobicContact CD1-CB 4.23Å; M112-N146 CarbonylContact O-C 3.57Å; M112-N146 WeakPolarHBondContact O-CA 3.36Å; V113-N146 WeakPolarHBondContact CG2-OD1 3.15Å; N146-Y165 HydrophobicContact CB-CE1 3.91Å; N146-A166 CarbonylContact O-C 3.47Å; N146-A166 WeakPolarHBondContact O-CA 3.06Å; N146-N167 PolarHBondContact N-O 3.18Å; N146-N167 PolarHBondContact O-N 3.3Å |
| 147 | L | 95.3 | Very high | 84.9 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.6 | 178 | -174.7 | 73.1 | 0 | 0 | 0 | 109 | A45 F46 L49 L111 M112 Y114 L149 I163 A166 | A45-L147 HydrophobicContact CB-CD2 4.38Å; F46-L147 HydrophobicContact CB-CD2 3.92Å; L49-L147 HydrophobicContact CD2-CD1 3.6Å; L111-L147 CarbonylContact C-O 3.59Å; L111-L147 WeakPolarHBondContact CA-O 3.1Å; M112-L147 PolarHBondContact N-O 2.83Å; M112-L147 PolarHBondContact O-N 3.22Å; Y114-L147 HydrophobicContact CD2-CB 4.47Å; Y114-L147 HydrophobicContact CE2-CB 3.91Å; Y114-L147 HydrophobicContact CE2-CD2 4.21Å; L147-L149 HydrophobicContact CD2-CD1 3.94Å; L147-L149 HydrophobicContact CD2-CG 4.48Å; L147-L149 HydrophobicContact CG-CD1 4.15Å; L147-I163 HydrophobicContact CD1-CB 4.36Å; L147-I163 HydrophobicContact CD1-CD1 4.04Å; L147-I163 HydrophobicContact CD1-CG1 3.88Å; L147-I163 HydrophobicContact CD1-CG2 3.56Å; L147-I163 HydrophobicContact CG-CG1 4.49Å; L147-A166 HydrophobicContact CD1-CB 3.95Å |
| 148 | R | 94.1 | Very high | 83.9 | Confident | 72 Ų | 72 | 57 Ų | 57 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.1 | 172.8 | -165.1 | 173.6 | 61.9 | -167.2 | -4.4 | 109 | Q109 M110 L111 D164 Y165 | Q109-R148 HydrophobicContact CB-CG 4.23Å; M110-R148 WeakPolarHBondContact O-CA 3.42Å; L111-R148 HydrophobicContact CB-CG 4.39Å; L111-R148 HydrophobicContact CD1-CB 3.91Å; R148-D164 VanDerWaalsContact CB-OD1 3.26Å; R148-D164 WeakPolarHBondContact CB-OD1 3.49Å; R148-D164 VanDerWaalsContact CG-OD1 3.29Å; R148-D164 WeakPolarHBondContact CG-OD1 3.44Å; R148-D164 IonicContact CZ-OD1 3.24Å; R148-D164 IonicContact CZ-OD2 3.4Å; R148-D164 IonicContact NE-OD1 2.81Å; R148-D164 PolarHBondContact NE-OD1 3.1Å; R148-D164 IonicContact NE-OD2 3.45Å; R148-D164 PolarHBondContact NE-OD2 3.38Å; R148-D164 IonicContact NH2-OD1 2.61Å; R148-D164 PolarHBondContact NH2-OD1 3.18Å; R148-D164 IonicContact NH2-OD2 2.7Å; R148-D164 PolarHBondContact O-N 3.39Å; R148-Y165 HydrophobicContact CB-CD1 4.25Å; R148-Y165 PolarHBondContact N-O 3.45Å; R148-Y165 PolarHBondContact O-N 2.89Å |
| 149 | L | 93.7 | Very high | 83 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.4 | 170.4 | -59.3 | 98.8 | 0 | 0 | 0 | 108.5 | F38 A42 A45 Q109 M110 M112 L147 W161 L162 | F38-L149 HydrophobicContact CE2-CB 4.44Å; F38-L149 HydrophobicContact CZ-CB 4.29Å; F38-L149 HydrophobicContact CZ-CD1 4Å; A42-L149 HydrophobicContact CB-CD1 3.73Å; A45-L149 HydrophobicContact CB-CD2 4.17Å; Q109-L149 WeakPolarHBondContact CA-O 3.41Å; M110-L149 PolarHBondContact N-O 2.99Å; M110-L149 PolarHBondContact O-N 3.29Å; M112-L149 HydrophobicContact CG-CD1 4.39Å; L147-L149 HydrophobicContact CD2-CD1 3.94Å; L147-L149 HydrophobicContact CD2-CG 4.48Å; L147-L149 HydrophobicContact CG-CD1 4.15Å; L149-W161 HydrophobicContact CB-CB 4.47Å; L149-W161 HydrophobicContact CB-CD2 4.48Å; L149-W161 HydrophobicContact CB-CE3 3.68Å; L149-W161 HydrophobicContact CB-CZ3 4.26Å; L149-W161 HydrophobicContact CD2-CB 4.11Å; L149-L162 CarbonylContact C-O 3.57Å; L149-L162 VanDerWaalsContact CA-O 3.29Å; L149-L162 WeakPolarHBondContact CA-O 3.32Å |
| 150 | S | 90.4 | Very high | 82.9 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.6 | 172.1 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | L108 W161 L162 D164 | L108-S150 WeakPolarHBondContact O-CA 3.5Å; S150-W161 WeakPolarHBondContact O-CA 3.39Å; S150-L162 PolarHBondContact N-O 3.49Å; S150-L162 PolarHBondContact O-N 2.81Å; S150-D164 VanDerWaalsContact CB-OD2 3.26Å; S150-D164 WeakPolarHBondContact CB-OD2 3.29Å; S150-D164 WeakPolarHBondContact OG-CB 3.4Å; S150-D164 PolarHBondContact OG-OD2 2.61Å |
| 151 | K | 86.5 | Confident | 83 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.4 | 172.2 | 179.2 | 160.8 | 174.7 | 148 | 0 | 108.4 | L108 L153 E159 W161 | L108-K151 PolarHBondContact O-N 3.18Å; K151-L153 PolarHBondContact O-N 2.77Å; K151-E159 WeakPolarHBondContact CE-O 3.39Å; K151-E159 PolarHBondContact NZ-O 2.7Å; K151-W161 HydrophobicContact CB-CD2 3.74Å; K151-W161 HydrophobicContact CB-CE3 3.76Å; K151-W161 HydrophobicContact CB-CG 4.3Å; K151-W161 HydrophobicContact CB-CH2 4.41Å; K151-W161 HydrophobicContact CB-CZ2 4.32Å; K151-W161 HydrophobicContact CB-CZ3 4.11Å; K151-W161 HydrophobicContact CD-CD2 4.36Å; K151-W161 HydrophobicContact CD-CG 4.43Å |
| 152 | Q | 78.7 | Confident | 83.1 | Confident | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | trans | -71.5 | 131.1 | 173.2 | -159.3 | 170.1 | -24 | 0 | 0 | 108.4 | T154 E159 | Q152-T154 VanDerWaalsContact C-N 3.33Å; Q152-T154 HydrophobicContact CB-CG2 4.41Å; Q152-T154 HydrophobicContact CG-CG2 3.96Å; Q152-T154 PolarHBondContact O-N 3.12Å; Q152-T154 VanDerWaalsContact O-N 3.17Å; Q152-E159 WeakPolarHBondContact CB-OE2 3.39Å; Q152-E159 PolarHBondContact OE1-OE2 2.96Å | ||
| 153 | L | 73.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | trans | -91.7 | 75 | -178.1 | -56.5 | 176.1 | 0 | 0 | 0 | 108.1 | Y25 Y29 L108 K151 | Y25-L153 HydrophobicContact CD2-CD2 4.36Å; Y25-L153 HydrophobicContact CE2-CD2 3.71Å; Y29-L153 HydrophobicContact CD1-CB 4.1Å; Y29-L153 HydrophobicContact CD1-CD1 4.29Å; Y29-L153 HydrophobicContact CD1-CD2 4.06Å; Y29-L153 HydrophobicContact CD1-CG 4.37Å; Y29-L153 HydrophobicContact CD2-CD1 4.28Å; Y29-L153 HydrophobicContact CE1-CB 3.81Å; Y29-L153 HydrophobicContact CE1-CD1 3.86Å; Y29-L153 HydrophobicContact CE1-CD2 4.41Å; Y29-L153 HydrophobicContact CE1-CG 4.23Å; Y29-L153 HydrophobicContact CE2-CD1 3.83Å; Y29-L153 HydrophobicContact CG-CD1 4.5Å; Y29-L153 HydrophobicContact CG-CD2 4.13Å; L108-L153 HydrophobicContact CB-CD2 4.48Å; K151-L153 PolarHBondContact O-N 2.77Å | ||
| 154 | T | 70.8 | Confident | 83.2 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | trans | -87 | 150.4 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | Q152 S156 Y157 E159 | Q152-T154 VanDerWaalsContact C-N 3.33Å; Q152-T154 HydrophobicContact CB-CG2 4.41Å; Q152-T154 HydrophobicContact CG-CG2 3.96Å; Q152-T154 PolarHBondContact O-N 3.12Å; Q152-T154 VanDerWaalsContact O-N 3.17Å; T154-S156 PolarHBondContact O-N 3.49Å; T154-S156 PolarHBondContact OG1-OG 3.37Å; T154-Y157 PolarHBondContact O-N 2.91Å; T154-E159 WeakPolarHBondContact CG2-OE1 3.49Å | ||
| 155 | P | 63.7 | Low | 83.2 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 79% | 0.786 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.2 | 179 | -23.2 | 33.5 | 0 | 0 | 0 | 114.6 | Y157 | P155-Y157 VanDerWaalsContact C-N 3.35Å; P155-Y157 WeakPolarHBondContact O-CD2 3.32Å; P155-Y157 WeakPolarHBondContact O-CE2 3.45Å |
| 156 | S | 65.4 | Low | 83.3 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.4 | 176.1 | 54 | 0 | 0 | 0 | 0 | 112.6 | T154 E158 | T154-S156 PolarHBondContact O-N 3.49Å; T154-S156 PolarHBondContact OG1-OG 3.37Å; S156-E158 WeakPolarHBondContact O-CG 3.26Å; S156-E158 PolarHBondContact O-N 3.09Å |
| 157 | Y | 60.4 | Low | 83.2 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | trans | 58.4 | 10.7 | -179.7 | -53.5 | -83.5 | 0 | 0 | 0 | 115.7 | Y29 T154 P155 E159 | Y29-Y157 HydrophobicContact CD1-CE1 4.04Å; T154-Y157 PolarHBondContact O-N 2.91Å; P155-Y157 VanDerWaalsContact C-N 3.35Å; P155-Y157 WeakPolarHBondContact O-CD2 3.32Å; P155-Y157 WeakPolarHBondContact O-CE2 3.45Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.4Å | ||
| 158 | E | 64.7 | Low | 83.2 | Confident | 168 Ų | 168 | 63.3 Ų | 63.3 | 79% | 0.785 | 32% | 0.316 | S | S | * | . | trans | -79.7 | -15.8 | -173.9 | -67.3 | -177.4 | 165.4 | 0 | 0 | 113.5 | S156 | S156-E158 WeakPolarHBondContact O-CG 3.26Å; S156-E158 PolarHBondContact O-N 3.09Å | ||
| 159 | E | 70.3 | Confident | 83 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 130 | -175.9 | -66.5 | -177.7 | -152.1 | 0 | 0 | 111.4 | K151 Q152 T154 Y157 | K151-E159 WeakPolarHBondContact CE-O 3.39Å; K151-E159 PolarHBondContact NZ-O 2.7Å; Q152-E159 WeakPolarHBondContact CB-OE2 3.39Å; Q152-E159 PolarHBondContact OE1-OE2 2.96Å; T154-E159 WeakPolarHBondContact CG2-OE1 3.49Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.4Å |
| 160 | D | 83.5 | Confident | 82.7 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 66% | 0.658 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 171.4 | 175.9 | -150.8 | -10.6 | 0 | 0 | 0 | 111.1 | L162 | D160-L162 PolarHBondContact O-N 2.61Š|
| 161 | W | 90.9 | Very high | 82.2 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 128.3 | 173.7 | -70 | 89.6 | 0 | 0 | 0 | 111.1 | F33 F38 L108 M110 L149 S150 K151 | F33-W161 HydrophobicContact CE2-CZ2 4.01Å; F38-W161 HydrophobicContact CD2-CD2 4.3Å; F38-W161 AromaticContact CD2-CE2 3.84Å; F38-W161 HydrophobicContact CD2-CH2 4.28Å; F38-W161 AromaticContact CD2-CZ2 3.84Å; F38-W161 HydrophobicContact CD2-CZ2 3.84Å; F38-W161 AromaticContact CE2-CD2 3.73Å; F38-W161 HydrophobicContact CE2-CD2 3.73Å; F38-W161 AromaticContact CE2-CE2 3.69Å; F38-W161 AromaticContact CE2-CE3 3.85Å; F38-W161 HydrophobicContact CE2-CE3 3.85Å; F38-W161 HydrophobicContact CE2-CG 4.36Å; F38-W161 AromaticContact CE2-CH2 3.74Å; F38-W161 HydrophobicContact CE2-CH2 3.74Å; F38-W161 AromaticContact CE2-CZ2 3.71Å; F38-W161 HydrophobicContact CE2-CZ2 3.71Å; F38-W161 AromaticContact CE2-CZ3 3.86Å; F38-W161 HydrophobicContact CE2-CZ3 3.86Å; F38-W161 HydrophobicContact CZ-CH2 4.45Å; F38-W161 HydrophobicContact CZ-CZ3 4.41Å; L108-W161 HydrophobicContact CB-CH2 4.39Å; L108-W161 HydrophobicContact CD2-CH2 3.27Å; L108-W161 HydrophobicContact CD2-CZ2 3.56Å; L108-W161 HydrophobicContact CD2-CZ3 4.33Å; L108-W161 HydrophobicContact CG-CH2 3.57Å; L108-W161 HydrophobicContact CG-CZ2 4.36Å; L108-W161 HydrophobicContact CG-CZ3 4.27Å; M110-W161 HydrophobicContact CB-CH2 4.39Å; M110-W161 HydrophobicContact CB-CZ3 4.26Å; M110-W161 HydrophobicContact CE-CH2 3.94Å; M110-W161 HydrophobicContact CE-CZ2 4.33Å; M110-W161 HydrophobicContact CG-CH2 3.85Å; M110-W161 HydrophobicContact CG-CZ3 4.17Å; M110-W161 HydrophobicContact SD-CH2 4.01Å; L149-W161 HydrophobicContact CB-CB 4.47Å; L149-W161 HydrophobicContact CB-CD2 4.48Å; L149-W161 HydrophobicContact CB-CE3 3.68Å; L149-W161 HydrophobicContact CB-CZ3 4.26Å; L149-W161 HydrophobicContact CD2-CB 4.11Å; S150-W161 WeakPolarHBondContact O-CA 3.39Å; K151-W161 HydrophobicContact CB-CD2 3.74Å; K151-W161 HydrophobicContact CB-CE3 3.76Å; K151-W161 HydrophobicContact CB-CG 4.3Å; K151-W161 HydrophobicContact CB-CH2 4.41Å; K151-W161 HydrophobicContact CB-CZ2 4.32Å; K151-W161 HydrophobicContact CB-CZ3 4.11Å; K151-W161 HydrophobicContact CD-CD2 4.36Å; K151-W161 HydrophobicContact CD-CG 4.43Å |
| 162 | L | 93.9 | Very high | 81.1 | Confident | 61 Ų | 61 | 69 Ų | 69 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.3 | 174.6 | -64.8 | 178 | 0 | 0 | 0 | 110.7 | T66 L149 S150 D160 D164 | T66-L162 HydrophobicContact CG2-CB 4.05Å; T66-L162 HydrophobicContact CG2-CD1 4.44Å; L149-L162 CarbonylContact C-O 3.57Å; L149-L162 VanDerWaalsContact CA-O 3.29Å; L149-L162 WeakPolarHBondContact CA-O 3.32Å; S150-L162 PolarHBondContact N-O 3.49Å; S150-L162 PolarHBondContact O-N 2.81Å; D160-L162 PolarHBondContact O-N 2.61Å; L162-D164 PolarHBondContact O-N 3.04Å |
| 163 | I | 95.1 | Very high | 79.5 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.4 | 173.5 | -62.8 | 159.5 | 0 | 0 | 0 | 108.5 | A45 L49 I64 A65 T66 F73 L147 A166 | A45-I163 HydrophobicContact CB-CD1 4.38Å; L49-I163 HydrophobicContact CB-CD1 3.97Å; L49-I163 HydrophobicContact CD1-CD1 4.38Å; L49-I163 HydrophobicContact CD2-CD1 4.11Å; L49-I163 HydrophobicContact CD2-CG2 4.24Å; L49-I163 HydrophobicContact CG-CD1 4.36Å; I64-I163 HydrophobicContact CB-CD1 4.31Å; I64-I163 HydrophobicContact CD1-CD1 4.02Å; I64-I163 HydrophobicContact CG1-CD1 4Å; I64-I163 PolarHBondContact O-N 3.09Å; A65-I163 CarbonylContact C-O 3.54Å; A65-I163 WeakPolarHBondContact CA-O 3.47Å; A65-I163 HydrophobicContact CB-CB 4.22Å; A65-I163 WeakPolarHBondContact CB-O 3.35Å; T66-I163 PolarHBondContact N-O 2.89Å; F73-I163 HydrophobicContact CE2-CG2 4.06Å; F73-I163 HydrophobicContact CZ-CG2 3.97Å; L147-I163 HydrophobicContact CD1-CB 4.36Å; L147-I163 HydrophobicContact CD1-CD1 4.04Å; L147-I163 HydrophobicContact CD1-CG1 3.88Å; L147-I163 HydrophobicContact CD1-CG2 3.56Å; L147-I163 HydrophobicContact CG-CG1 4.49Å; I163-A166 HydrophobicContact CG2-CB 4.41Å |
| 164 | D | 93.9 | Very high | 78.3 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -5.3 | 176.8 | 75.1 | -1.1 | 0 | 0 | 0 | 112.8 | T66 S69 Q109 R148 S150 L162 | T66-D164 HydrophobicContact CG2-CB 3.71Å; S69-D164 WeakPolarHBondContact OG-CA 3.31Å; S69-D164 PolarHBondContact OG-O 3.05Å; Q109-D164 PolarHBondContact NE2-OD2 3.26Å; R148-D164 VanDerWaalsContact CB-OD1 3.26Å; R148-D164 WeakPolarHBondContact CB-OD1 3.49Å; R148-D164 VanDerWaalsContact CG-OD1 3.29Å; R148-D164 WeakPolarHBondContact CG-OD1 3.44Å; R148-D164 IonicContact CZ-OD1 3.24Å; R148-D164 IonicContact CZ-OD2 3.4Å; R148-D164 IonicContact NE-OD1 2.81Å; R148-D164 PolarHBondContact NE-OD1 3.1Å; R148-D164 IonicContact NE-OD2 3.45Å; R148-D164 PolarHBondContact NE-OD2 3.38Å; R148-D164 IonicContact NH2-OD1 2.61Å; R148-D164 PolarHBondContact NH2-OD1 3.18Å; R148-D164 IonicContact NH2-OD2 2.7Å; R148-D164 PolarHBondContact O-N 3.39Å; S150-D164 VanDerWaalsContact CB-OD2 3.26Å; S150-D164 WeakPolarHBondContact CB-OD2 3.29Å; S150-D164 WeakPolarHBondContact OG-CB 3.4Å; S150-D164 PolarHBondContact OG-OD2 2.61Å; L162-D164 PolarHBondContact O-N 3.04Å |
| 165 | Y | 94.2 | Very high | 76.8 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 35% | 0.349 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 139.9 | 172.7 | 169 | -91.6 | 0 | 0 | 0 | 110.4 | L111 N146 R148 N167 | L111-Y165 HydrophobicContact CD1-CD1 4.45Å; N146-Y165 HydrophobicContact CB-CE1 3.91Å; R148-Y165 HydrophobicContact CB-CD1 4.25Å; R148-Y165 PolarHBondContact N-O 3.45Å; R148-Y165 PolarHBondContact O-N 2.89Å; Y165-N167 HydrophobicContact CE1-CB 4.14Å; Y165-N167 WeakPolarHBondContact OH-CB 3.09Å |
| 166 | A | 95.6 | Very high | 75.5 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 13% | 0.132 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L49 F73 N146 L147 I163 Y168 | L49-A166 HydrophobicContact CD2-CB 3.5Å; L49-A166 VanDerWaalsContact CD2-CB 3.5Å; F73-A166 HydrophobicContact CE1-CB 3.66Å; F73-A166 HydrophobicContact CZ-CB 3.54Å; N146-A166 CarbonylContact O-C 3.47Å; N146-A166 WeakPolarHBondContact O-CA 3.06Å; L147-A166 HydrophobicContact CD1-CB 3.95Å; I163-A166 HydrophobicContact CG2-CB 4.41Å; A166-Y168 HydrophobicContact CB-CE2 4.26Å |
| 167 | N | 93.8 | Very high | 76 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142.6 | 172.3 | -177.3 | 10.2 | 0 | 0 | 0 | 109.3 | A145 N146 Y165 | A145-N167 CarbonylContact C-O 3.09Å; A145-N167 WeakPolarHBondContact CA-O 3.15Å; N146-N167 PolarHBondContact N-O 3.18Å; N146-N167 PolarHBondContact O-N 3.3Å; Y165-N167 HydrophobicContact CE1-CB 4.14Å; Y165-N167 WeakPolarHBondContact OH-CB 3.09Å |
| 168 | Y | 94.1 | Very high | 76.8 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 11% | 0.106 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.2 | 177.4 | -65.8 | -110 | 0 | 0 | 0 | 107.7 | F46 L49 S50 L53 F88 L90 V143 A145 A166 | F46-Y168 AromaticContact CE2-CE1 3.69Å; F46-Y168 HydrophobicContact CE2-CE1 3.69Å; F46-Y168 AromaticContact CE2-CZ 3.94Å; F46-Y168 HydrophobicContact CZ-CE1 4.22Å; L49-Y168 HydrophobicContact CD2-CE2 4.43Å; S50-Y168 PolarHBondContact OG-OH 3.07Å; L53-Y168 HydrophobicContact CD1-CD2 4.16Å; L53-Y168 HydrophobicContact CD1-CE2 3.42Å; L53-Y168 VanDerWaalsContact CD1-CE2 3.42Å; F88-Y168 AromaticContact CD1-CD1 3.87Å; F88-Y168 HydrophobicContact CD1-CD1 3.87Å; F88-Y168 AromaticContact CD1-CD2 3.78Å; F88-Y168 HydrophobicContact CD1-CD2 3.78Å; F88-Y168 HydrophobicContact CD1-CE1 4.16Å; F88-Y168 HydrophobicContact CD1-CE2 4.11Å; F88-Y168 AromaticContact CD1-CG 3.68Å; F88-Y168 HydrophobicContact CD1-CG 3.68Å; F88-Y168 HydrophobicContact CE1-CD1 4.35Å; F88-Y168 AromaticContact CE1-CD2 3.63Å; F88-Y168 HydrophobicContact CE1-CD2 3.63Å; F88-Y168 HydrophobicContact CE1-CE2 4.28Å; F88-Y168 AromaticContact CE1-CG 3.69Å; F88-Y168 HydrophobicContact CE1-CG 3.69Å; L90-Y168 HydrophobicContact CD1-CD1 4.1Å; L90-Y168 HydrophobicContact CD1-CE1 4.09Å; V143-Y168 HydrophobicContact CG1-CD1 4.43Å; A145-Y168 HydrophobicContact CB-CD1 3.81Å; A145-Y168 HydrophobicContact CB-CE1 3.93Å; A145-Y168 HydrophobicContact CB-CG 4.26Å; A166-Y168 HydrophobicContact CB-CE2 4.26Å |
| 169 | G | 90.9 | Very high | 77.5 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V143 V144 | V143-G169 CarbonylContact C-O 3.6Å; V143-G169 WeakPolarHBondContact CA-O 3.18Å; V144-G169 PolarHBondContact N-O 3.17Å; V144-G169 PolarHBondContact O-N 3.04Å |
| 170 | Q | 87.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 17% | 0.168 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.9 | 164.7 | -175.9 | 174.6 | 19.7 | 0 | 0 | 108.2 | H140 H172 | H140-Q170 PolarHBondContact O-NE2 3.37Å; Q170-H172 VanDerWaalsContact CD-CE1 3.47Å; Q170-H172 PolarHBondContact O-N 3.04Å; Q170-H172 PolarHBondContact OE1-CE1 3.39Å; Q170-H172 PolarHBondContact OE1-NE2 3.27Å |
| 171 | I | 78.6 | Confident | 77.5 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | trans | -73.9 | 101.4 | 174 | -54.5 | -174.6 | 0 | 0 | 0 | 107.7 | F142 V144 | F142-I171 HydrophobicContact CB-CB 4.13Å; F142-I171 HydrophobicContact CB-CD1 3.77Å; F142-I171 HydrophobicContact CB-CG1 4Å; F142-I171 PolarHBondContact O-N 3.18Å; F142-I171 VanDerWaalsContact O-N 3.07Å; V144-I171 HydrophobicContact CG2-CD1 3.73Å; V144-I171 HydrophobicContact CG2-CG1 3.85Å | ||
| 172 | H | 63.9 | Low | 76.7 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | trans | -86.1 | 134.4 | 174.1 | -72.8 | -66.3 | 0 | 0 | 0 | 110.9 | Q170 G174 | Q170-H172 VanDerWaalsContact CD-CE1 3.47Å; Q170-H172 PolarHBondContact O-N 3.04Å; Q170-H172 PolarHBondContact OE1-CE1 3.39Å; Q170-H172 PolarHBondContact OE1-NE2 3.27Å; H172-G174 PolarHBondContact O-N 3.38Å; H172-G174 VanDerWaalsContact O-N 3.14Å | ||
| 173 | P | 44.6 | Very low | 75.4 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 46% | 0.461 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 102.2 | 168 | 32 | -37.7 | 0 | 0 | 0 | 109.8 | R139 | R139-P173 HydrophobicContact CG-CG 4.44Å; R139-P173 VanDerWaalsContact NE-CG 3.32Å |
| 174 | G | 48 | Very low | 73.9 | Confident | 67 Ų | 67 | 72.1 Ų | 72.1 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 152.3 | -14.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | H172 | H172-G174 PolarHBondContact O-N 3.38Å; H172-G174 VanDerWaalsContact O-N 3.14Å |
| 175 | D | 39.6 | Very low | 72.2 | Confident | 157 Ų | 157 | 76.6 Ų | 76.6 | 84% | 0.84 | 48% | 0.479 | S | S | * | . | trans | -105.1 | 74.6 | 177.8 | -63 | -31.9 | 0 | 0 | 0 | 110.4 | ||||
| 176 | A | 36.1 | Very low | 70.2 | Confident | 173 Ų | 173 | 75.5 Ų | 75.5 | 100% | 1.43 | 49% | 0.491 | S | S | * | . | trans | -139.6 | 0 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 176 of 176 residues in 205.5 ms
(Link to these results)