| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.3 | Very low | 52.2 | Low | 240 Ų | 240 | 159.5 Ų | 159.5 | 100% | 1.182 | 84% | 0.837 | S | S | * | * | 0 | 100 | 0 | -62.9 | -175.7 | -166.7 | 0 | 0 | 106.3 | E3 | M1-E3 PolarHBondContact O-N 3.36Š| |||
| 2 | T | 51.8 | Low | 53.3 | Low | 148 Ų | 148 | 154.3 Ų | 154.3 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | trans | -70.8 | 113.1 | 179.8 | 16.8 | 0 | 0 | 0 | 0 | 108.3 | K4 | T2-K4 PolarHBondContact O-N 2.65Å; T2-K4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | E | 46.2 | Very low | 55 | Low | 188 Ų | 188 | 149.7 Ų | 149.7 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -51.2 | 115.8 | 176.8 | -67 | 177.8 | 155.8 | 0 | 0 | 109.4 | M1 K5 | M1-E3 PolarHBondContact O-N 3.36Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.02Å | ||
| 4 | K | 52.7 | Low | 56.8 | Low | 203 Ų | 203 | 152.3 Ų | 152.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 99.5 | 169.2 | -155.4 | -179.7 | -171.4 | -177 | 0 | 105.3 | T2 A6 | T2-K4 PolarHBondContact O-N 2.65Å; T2-K4 VanDerWaalsContact O-N 3.11Å; K4-A6 PolarHBondContact O-N 3.08Å | ||
| 5 | K | 44.3 | Very low | 58.8 | Low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -47.6 | 118 | 170.7 | -105.6 | -178.2 | 174.3 | 179.8 | 0 | 107.3 | E3 D7 | E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.02Å; K5-D7 PolarHBondContact O-N 3.09Å | ||
| 6 | A | 51.3 | Low | 60.7 | Low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 121.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | K4 V8 | K4-A6 PolarHBondContact O-N 3.08Å; A6-V8 PolarHBondContact O-N 2.81Å | ||
| 7 | D | 55.8 | Low | 62.4 | Low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | -60.8 | 108.5 | 173.5 | -140.8 | -94.7 | 0 | 0 | 0 | 106.5 | K5 P9 | K5-D7 PolarHBondContact O-N 3.09Å; D7-P9 WeakPolarHBondContact O-CD 3.26Å | ||
| 8 | V | 59 | Low | 64.1 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | trans | -58.7 | 121.8 | 170.9 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | A6 Q10 | A6-V8 PolarHBondContact O-N 2.81Å; V8-Q10 VanDerWaalsContact C-N 3.3Å; V8-Q10 PolarHBondContact O-N 3.29Å | ||
| 9 | P | 55.7 | Low | 65.5 | Low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 97.9 | -179.3 | 25.1 | -31.8 | 0 | 0 | 0 | 107.3 | D7 L11 | D7-P9 WeakPolarHBondContact O-CD 3.26Å; P9-L11 PolarHBondContact O-N 3.28Å; P9-L11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | Q | 57.4 | Low | 66.8 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | trans | -59 | 121.4 | 180 | -63.9 | -179 | 28.2 | 0 | 0 | 106.4 | V8 S12 | V8-Q10 VanDerWaalsContact C-N 3.3Å; V8-Q10 PolarHBondContact O-N 3.29Å; Q10-S12 PolarHBondContact O-N 2.95Å | ||
| 11 | L | 55.1 | Low | 68.1 | Low | 159 Ų | 159 | 119.5 Ų | 119.5 | 83% | 0.832 | 61% | 0.608 | S | S | * | * | trans | -44.4 | 118.1 | 173.7 | -129.3 | 91.4 | 0 | 0 | 0 | 107.3 | P9 T13 | P9-L11 PolarHBondContact O-N 3.28Å; P9-L11 VanDerWaalsContact O-N 3.09Å; L11-T13 PolarHBondContact O-N 2.99Å; L11-T13 PolarHBondContact O-OG1 3.04Å; L11-T13 VanDerWaalsContact O-OG1 3.08Å | ||
| 12 | S | 64.8 | Low | 70.4 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | trans | -64.6 | 79.8 | -166.8 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | Q10 R14 | Q10-S12 PolarHBondContact O-N 2.95Å; S12-R14 PolarHBondContact O-N 2.87Å | ||
| 13 | T | 76.2 | Confident | 72.4 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | trans | -74 | 124 | 179.9 | -53.7 | 0 | 0 | 0 | 0 | 107 | L11 N15 | L11-T13 PolarHBondContact O-N 2.99Å; L11-T13 PolarHBondContact O-OG1 3.04Å; L11-T13 VanDerWaalsContact O-OG1 3.08Å; T13-N15 VanDerWaalsContact CG2-OD1 3.26Å; T13-N15 WeakPolarHBondContact CG2-OD1 3.43Å; T13-N15 PolarHBondContact O-N 3.44Å; T13-N15 PolarHBondContact O-OD1 2.79Å | ||
| 14 | R | 80.1 | Confident | 74.7 | Confident | 186 Ų | 186 | 96.5 Ų | 96.5 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | trans | -76.7 | 108.6 | 175.7 | -70.1 | -179.2 | 179.5 | 159.2 | -1.2 | 108 | S12 L89 | S12-R14 PolarHBondContact O-N 2.87Å; R14-L89 HydrophobicContact CB-CD1 4.02Å; R14-L89 HydrophobicContact CB-CG 4.11Å | ||
| 15 | N | 86.4 | Confident | 76.6 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 32% | 0.321 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 149.7 | -179.9 | -68.2 | 5 | 0 | 0 | 0 | 110 | T13 S90 V113 | T13-N15 VanDerWaalsContact CG2-OD1 3.26Å; T13-N15 WeakPolarHBondContact CG2-OD1 3.43Å; T13-N15 PolarHBondContact O-N 3.44Å; T13-N15 PolarHBondContact O-OD1 2.79Å; N15-S90 PolarHBondContact N-O 3.41Å; N15-S90 PolarHBondContact O-N 3.04Å; N15-V113 HydrophobicContact CB-CG1 3.83Å |
| 16 | W | 89.1 | Confident | 79 | Confident | 164 Ų | 164 | 83.7 Ų | 83.7 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.3 | 166.2 | -77.9 | -49.9 | 0 | 0 | 0 | 109.5 | L88 L89 A114 | W16-L88 CarbonylContact C-O 3.58Å; W16-L88 WeakPolarHBondContact CA-O 3.44Å; W16-L89 HydrophobicContact CG-CD1 4.29Å; W16-A114 HydrophobicContact CB-CB 4.03Å; W16-A114 VanDerWaalsContact O-CB 3.29Å; W16-A114 WeakPolarHBondContact O-CB 3.31Å; W16-A114 PolarHBondContact O-N 2.74Å |
| 17 | V | 90.3 | Very high | 80.9 | Confident | 3 Ų | 3 | 87.9 Ų | 87.9 | 2% | 0.018 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.2 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | V19 D87 L88 T95 V111 K112 V113 | V17-V19 HydrophobicContact CG1-CG2 4.48Å; V17-D87 CarbonylContact O-C 3.57Å; V17-D87 WeakPolarHBondContact O-CA 3.45Å; V17-L88 PolarHBondContact N-O 2.98Å; V17-L88 PolarHBondContact O-N 3.35Å; V17-T95 HydrophobicContact CG1-CG2 3.84Å; V17-T95 HydrophobicContact CG2-CG2 4.07Å; V17-V111 HydrophobicContact CG1-CG1 3.48Å; V17-V111 VanDerWaalsContact CG1-CG1 3.48Å; V17-K112 CarbonylContact C-O 3.57Å; V17-K112 WeakPolarHBondContact CA-O 3.43Å; V17-V113 HydrophobicContact CG2-CG1 4.49Å; V17-V113 HydrophobicContact CG2-CG2 4.25Å |
| 18 | R | 91.5 | Very high | 82.7 | Confident | 126 Ų | 126 | 82.3 Ų | 82.3 | 48% | 0.475 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.5 | 175.9 | 176.5 | 163.9 | -71.8 | 165.7 | 0.8 | 109.4 | V85 D87 K112 | R18-V85 HydrophobicContact CG-CG1 3.62Å; R18-D87 WeakPolarHBondContact CB-OD1 3.18Å; R18-D87 VanDerWaalsContact CG-OD1 3.31Å; R18-D87 WeakPolarHBondContact CG-OD1 3.22Å; R18-D87 IonicContact CZ-OD1 3.53Å; R18-D87 IonicContact CZ-OD2 3.72Å; R18-D87 IonicContact NE-OD1 2.74Å; R18-D87 PolarHBondContact NE-OD1 3.03Å; R18-D87 IonicContact NE-OD2 3.69Å; R18-D87 IonicContact NH2-OD1 3.44Å; R18-D87 PolarHBondContact NH2-OD1 3.25Å; R18-D87 IonicContact NH2-OD2 2.87Å; R18-D87 PolarHBondContact NH2-OD2 3.48Å; R18-K112 PolarHBondContact N-O 2.79Å; R18-K112 PolarHBondContact O-N 2.78Å |
| 19 | V | 91.2 | Very high | 84.3 | Confident | 8 Ų | 8 | 77 Ų | 77 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.3 | 171.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | V17 L21 L36 V85 I86 L88 D110 V111 | V17-V19 HydrophobicContact CG1-CG2 4.48Å; V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.41Å; V19-L36 HydrophobicContact CB-CD2 4.09Å; V19-L36 HydrophobicContact CG1-CD2 3.75Å; V19-L36 HydrophobicContact CG2-CD2 4.26Å; V19-V85 CarbonylContact O-C 3.53Å; V19-V85 WeakPolarHBondContact O-CA 3.38Å; V19-I86 HydrophobicContact CB-CB 4.49Å; V19-I86 PolarHBondContact N-O 2.92Å; V19-I86 PolarHBondContact O-N 3.4Å; V19-L88 HydrophobicContact CG2-CD1 4.22Å; V19-D110 CarbonylContact C-O 3.56Å; V19-D110 WeakPolarHBondContact CA-O 2.93Å; V19-V111 HydrophobicContact CG1-CG2 4.3Å; V19-V111 HydrophobicContact CG2-CG1 4.45Å; V19-V111 HydrophobicContact CG2-CG2 4.24Å |
| 20 | T | 92.4 | Very high | 86.1 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.3 | 176.1 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | T22 K83 D110 | T20-T22 HydrophobicContact CG2-CG2 4.16Å; T20-K83 HydrophobicContact CG2-CD 4.29Å; T20-K83 HydrophobicContact CG2-CG 4.19Å; T20-D110 PolarHBondContact N-O 2.77Å; T20-D110 PolarHBondContact O-N 3.1Å |
| 21 | L | 92.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132 | 174.4 | -53.1 | 175.6 | 0 | 0 | 0 | 109.3 | V19 L29 V32 T33 K83 R84 N108 C109 | V19-L21 HydrophobicContact CG1-CD2 4.02Å; V19-L21 HydrophobicContact CG1-CG 4.41Å; L21-L29 HydrophobicContact CB-CD1 3.55Å; L21-V32 HydrophobicContact CD1-CG1 4.06Å; L21-V32 HydrophobicContact CD2-CG1 4.23Å; L21-T33 WeakPolarHBondContact CD1-OG1 3.47Å; L21-K83 CarbonylContact O-C 3.57Å; L21-K83 WeakPolarHBondContact O-CA 3.46Å; L21-R84 HydrophobicContact CB-CB 4.27Å; L21-R84 PolarHBondContact N-O 2.83Å; L21-R84 PolarHBondContact O-N 3.35Å; L21-N108 WeakPolarHBondContact CA-O 3.37Å; L21-C109 HydrophobicContact CD2-CB 4Å; L21-C109 WeakPolarHBondContact CD2-SG 3.3Å |
| 22 | T | 93.7 | Very high | 89.5 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 23% | 0.233 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.7 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | T20 H82 K83 N108 | T20-T22 HydrophobicContact CG2-CG2 4.16Å; T22-H82 WeakPolarHBondContact CA-O 3.43Å; T22-K83 HydrophobicContact CG2-CB 4.11Å; T22-K83 HydrophobicContact CG2-CD 4.4Å; T22-K83 HydrophobicContact CG2-CG 3.94Å; T22-N108 PolarHBondContact N-O 3.03Å; T22-N108 PolarHBondContact O-N 2.75Å; T22-N108 WeakPolarHBondContact OG1-CB 3.24Å; T22-N108 PolarHBondContact OG1-O 2.73Å |
| 23 | A | 94.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L29 H82 V107 | A23-L29 HydrophobicContact CB-CB 3.94Å; A23-L29 HydrophobicContact CB-CD1 4.03Å; A23-L29 HydrophobicContact CB-CD2 4.23Å; A23-L29 HydrophobicContact CB-CG 4.3Å; A23-H82 PolarHBondContact N-O 2.73Å; A23-H82 PolarHBondContact O-N 3.19Å; A23-V107 HydrophobicContact CB-CB 4.49Å; A23-V107 HydrophobicContact CB-CG2 4.06Å |
| 24 | A | 94.2 | Very high | 91.5 | Very high | 47 Ų | 47 | 59.7 Ų | 59.7 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -77.4 | -31.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | F79 R80 H82 | A24-F79 HydrophobicContact CB-CE2 3.71Å; A24-F79 HydrophobicContact CB-CZ 3.74Å; A24-R80 WeakPolarHBondContact CA-O 3.41Å; A24-H82 PolarHBondContact O-CD2 2.89Å; A24-H82 VanDerWaalsContact O-CD2 3.31Å |
| 25 | S | 93.1 | Very high | 92 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | trans | -109.7 | 131.8 | -175.2 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | L29 | S25-L29 WeakPolarHBondContact O-CB 3.32Š| ||
| 26 | V | 93.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 49 Ų | 49 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.4 | -39.2 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | L29 E30 H82 | V26-L29 WeakPolarHBondContact O-CB 3.29Å; V26-L29 PolarHBondContact O-N 3.01Å; V26-E30 HydrophobicContact CG1-CG 3.75Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 2.95Å; V26-H82 WeakPolarHBondContact CG2-NE2 3.38Å |
| 27 | K | 93 | Very high | 92.3 | Very high | 176 Ų | 176 | 42.2 Ų | 42.2 | 77% | 0.765 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -57.3 | -55 | -176.1 | -67.4 | -177.2 | 179.4 | -178.3 | 0 | 113.7 | L29 K31 | K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.43Å; K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 3.33Å |
| 28 | P | 92.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 177 | 25.1 | -33.9 | 0 | 0 | 0 | 111.9 | K31 V32 E104 V107 | P28-K31 PolarHBondContact O-N 3.01Å; P28-V32 WeakPolarHBondContact O-CG2 3.43Å; P28-V32 PolarHBondContact O-N 3.41Å; P28-E104 HydrophobicContact CB-CG 3.58Å; P28-V107 HydrophobicContact CB-CG2 3.91Å; P28-V107 HydrophobicContact CG-CG2 4.38Å |
| 29 | L | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 179.3 | -175.6 | 62.8 | 0 | 0 | 0 | 112.9 | L21 A23 S25 V26 K27 V32 T33 H82 R84 V107 | L21-L29 HydrophobicContact CB-CD1 3.55Å; A23-L29 HydrophobicContact CB-CB 3.94Å; A23-L29 HydrophobicContact CB-CD1 4.03Å; A23-L29 HydrophobicContact CB-CD2 4.23Å; A23-L29 HydrophobicContact CB-CG 4.3Å; S25-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 WeakPolarHBondContact O-CB 3.29Å; V26-L29 PolarHBondContact O-N 3.01Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.43Å; L29-V32 PolarHBondContact O-N 3.48Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 PolarHBondContact O-N 3.22Å; L29-T33 PolarHBondContact O-OG1 3.1Å; L29-H82 HydrophobicContact CD2-CB 3.44Å; L29-H82 VanDerWaalsContact CD2-CB 3.44Å; L29-R84 HydrophobicContact CD1-CG 4.26Å; L29-R84 HydrophobicContact CD2-CG 3.88Å; L29-R84 HydrophobicContact CG-CG 3.94Å; L29-V107 HydrophobicContact CD1-CG1 4Å |
| 30 | E | 92.9 | Very high | 92 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | 178.8 | -61.4 | -73.2 | 143 | 0 | 0 | 110.6 | V26 V32 T33 D34 R52 R84 | V26-E30 HydrophobicContact CG1-CG 3.75Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 2.95Å; E30-V32 PolarHBondContact O-N 3.42Å; E30-T33 PolarHBondContact O-N 3.33Å; E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 VanDerWaalsContact O-CG 3.27Å; E30-D34 PolarHBondContact O-N 3.02Å; E30-R52 IonicContact OE1-NE 3.69Å; E30-R52 IonicContact OE1-NH2 3.92Å; E30-R52 IonicContact OE2-CZ 3.81Å; E30-R52 IonicContact OE2-NE 3.87Å; E30-R52 IonicContact OE2-NH2 2.87Å; E30-R52 PolarHBondContact OE2-NH2 2.99Å; E30-R84 IonicContact OE1-CZ 2.73Å; E30-R84 VanDerWaalsContact OE1-CZ 3.24Å; E30-R84 IonicContact OE1-NE 3.91Å; E30-R84 PolarHBondContact OE1-NE 3.24Å; E30-R84 IonicContact OE1-NH2 2.89Å; E30-R84 PolarHBondContact OE1-NH2 2.88Å |
| 31 | K | 92.1 | Very high | 91.9 | Very high | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57 | -46.6 | 173.4 | -73.4 | 179.5 | 178.5 | -174.5 | 0 | 112.6 | K27 P28 G35 | K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 3.33Å; P28-K31 PolarHBondContact O-N 3.01Å; K31-G35 PolarHBondContact O-N 2.98Å |
| 32 | V | 91.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L21 P28 L29 E30 G35 L36 Y102 E104 V107 | L21-V32 HydrophobicContact CD1-CG1 4.06Å; L21-V32 HydrophobicContact CD2-CG1 4.23Å; P28-V32 WeakPolarHBondContact O-CG2 3.43Å; P28-V32 PolarHBondContact O-N 3.41Å; L29-V32 PolarHBondContact O-N 3.48Å; E30-V32 PolarHBondContact O-N 3.42Å; V32-G35 PolarHBondContact O-N 2.85Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.39Å; V32-Y102 HydrophobicContact CG1-CD1 4.01Å; V32-Y102 HydrophobicContact CG1-CG 3.9Å; V32-Y102 HydrophobicContact CG2-CD1 4.42Å; V32-E104 HydrophobicContact CG2-CB 3.5Å; V32-E104 VanDerWaalsContact CG2-CB 3.5Å; V32-E104 HydrophobicContact CG2-CG 4.13Å; V32-V107 HydrophobicContact CG1-CG1 4.44Å; V32-V107 HydrophobicContact CG2-CB 4.5Å; V32-V107 HydrophobicContact CG2-CG1 4.43Å; V32-V107 HydrophobicContact CG2-CG2 4.25Å |
| 33 | T | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 111 | L21 L29 E30 L36 I37 P50 I86 | L21-T33 WeakPolarHBondContact CD1-OG1 3.47Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 PolarHBondContact O-N 3.22Å; L29-T33 PolarHBondContact O-OG1 3.1Å; E30-T33 PolarHBondContact O-N 3.33Å; T33-L36 PolarHBondContact O-N 3.42Å; T33-I37 HydrophobicContact CG2-CD1 4.07Å; T33-I37 WeakPolarHBondContact O-CD1 3.46Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.27Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.11Å; T33-P50 HydrophobicContact CG2-CB 3.46Å; T33-P50 VanDerWaalsContact CG2-CB 3.46Å; T33-P50 HydrophobicContact CG2-CG 4.18Å; T33-I86 HydrophobicContact CG2-CD1 3.87Å |
| 34 | D | 92.2 | Very high | 91 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 179 | -70.4 | -23.8 | 0 | 0 | 0 | 111.7 | E30 I37 K38 | E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 VanDerWaalsContact O-CG 3.27Å; E30-D34 PolarHBondContact O-N 3.02Å; D34-I37 PolarHBondContact O-N 3Å; D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 2.79Å |
| 35 | G | 90.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.1 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K31 V32 I37 K38 K39 Y102 | K31-G35 PolarHBondContact O-N 2.98Å; V32-G35 PolarHBondContact O-N 2.85Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.78Å; G35-K38 PolarHBondContact O-N 3.08Å; G35-K39 PolarHBondContact O-N 3.48Å; G35-Y102 WeakPolarHBondContact CA-OH 3.35Å; G35-Y102 PolarHBondContact O-OH 3.49Å |
| 36 | L | 89.8 | Confident | 90.4 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | -177.9 | -169.8 | 69.6 | 0 | 0 | 0 | 111.5 | V19 V32 T33 K39 A40 I86 L98 Y102 | V19-L36 HydrophobicContact CB-CD2 4.09Å; V19-L36 HydrophobicContact CG1-CD2 3.75Å; V19-L36 HydrophobicContact CG2-CD2 4.26Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.39Å; T33-L36 PolarHBondContact O-N 3.42Å; L36-K39 PolarHBondContact O-N 3.04Å; L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.07Å; L36-I86 HydrophobicContact CB-CD1 4.36Å; L36-I86 HydrophobicContact CD2-CD1 3.73Å; L36-I86 HydrophobicContact CG-CD1 4.43Å; L36-L98 HydrophobicContact CD1-CB 4.5Å; L36-L98 HydrophobicContact CD1-CD2 3.65Å; L36-Y102 HydrophobicContact CB-CE2 4.11Å; L36-Y102 HydrophobicContact CD1-CD2 4.04Å; L36-Y102 HydrophobicContact CD1-CE2 3.67Å; L36-Y102 PolarHBondContact N-OH 2.8Å |
| 37 | I | 90.8 | Very high | 90.2 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.7 | -66.6 | 159.5 | 0 | 0 | 0 | 111.2 | T33 D34 G35 A40 K41 P50 I86 | T33-I37 HydrophobicContact CG2-CD1 4.07Å; T33-I37 WeakPolarHBondContact O-CD1 3.46Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.27Å; T33-I37 PolarHBondContact O-N 2.89Å; T33-I37 VanDerWaalsContact O-N 3.11Å; D34-I37 PolarHBondContact O-N 3Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.78Å; I37-A40 PolarHBondContact O-N 2.78Å; I37-K41 HydrophobicContact CG2-CD 4.19Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.3Å; I37-K41 PolarHBondContact O-N 3.22Å; I37-P50 HydrophobicContact CD1-CB 3.98Å; I37-P50 VanDerWaalsContact CD1-CD 3.49Å; I37-P50 HydrophobicContact CD1-CG 3.54Å; I37-I86 HydrophobicContact CD1-CD1 4.34Å; I37-I86 HydrophobicContact CG1-CD1 4Å |
| 38 | K | 90.9 | Very high | 90.1 | Very high | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.596 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.1 | -50.1 | 177.3 | -74.9 | 174.5 | -179.7 | -178 | 0 | 110.8 | D34 G35 A40 K41 D42 | D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 2.79Å; G35-K38 PolarHBondContact O-N 3.08Å; K38-A40 PolarHBondContact O-N 3.37Å; K38-K41 WeakPolarHBondContact O-CA 3.34Å; K38-K41 WeakPolarHBondContact O-CB 3.37Å; K38-K41 PolarHBondContact O-N 3.03Å; K38-K41 VanDerWaalsContact O-N 3.09Å; K38-D42 PolarHBondContact O-N 3.46Å |
| 39 | K | 88.6 | Confident | 89.8 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 179.3 | -67.5 | -168.4 | -176.7 | -172.1 | 0 | 113.3 | G35 L36 K41 D42 Q43 I101 Y102 | G35-K39 PolarHBondContact O-N 3.48Å; L36-K39 PolarHBondContact O-N 3.04Å; K39-K41 VanDerWaalsContact C-N 3.26Å; K39-K41 PolarHBondContact O-N 3.03Å; K39-D42 PolarHBondContact O-N 3.02Å; K39-Q43 WeakPolarHBondContact O-CG 3.47Å; K39-Q43 PolarHBondContact O-N 3.4Å; K39-I101 HydrophobicContact CD-CD1 3.91Å; K39-I101 HydrophobicContact CD-CG2 3.77Å; K39-Y102 HydrophobicContact CD-CE2 4.44Å; K39-Y102 WeakPolarHBondContact CD-OH 3.42Å; K39-Y102 WeakPolarHBondContact CE-OH 3.35Å |
| 40 | A | 88.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 I37 K38 N44 L45 V47 L88 | L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.32Å; L36-A40 PolarHBondContact O-N 3.07Å; I37-A40 PolarHBondContact O-N 2.78Å; K38-A40 PolarHBondContact O-N 3.37Å; A40-N44 PolarHBondContact O-N 3.26Å; A40-L45 HydrophobicContact CB-CB 4.49Å; A40-L45 HydrophobicContact CB-CD1 4.47Å; A40-L45 WeakPolarHBondContact O-CB 3.39Å; A40-L45 PolarHBondContact O-N 3.43Å; A40-V47 HydrophobicContact CB-CG2 3.53Å; A40-L88 HydrophobicContact CB-CD2 3.95Å |
| 41 | K | 88.8 | Confident | 89.9 | Confident | 138 Ų | 138 | 73.2 Ų | 73.2 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.5 | -41.5 | 172.6 | -73.3 | 176.4 | 177.3 | -174.7 | 0 | 112.3 | I37 K38 K39 Q43 N44 | I37-K41 HydrophobicContact CG2-CD 4.19Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.3Å; I37-K41 PolarHBondContact O-N 3.22Å; K38-K41 WeakPolarHBondContact O-CA 3.34Å; K38-K41 WeakPolarHBondContact O-CB 3.37Å; K38-K41 PolarHBondContact O-N 3.03Å; K38-K41 VanDerWaalsContact O-N 3.09Å; K39-K41 VanDerWaalsContact C-N 3.26Å; K39-K41 PolarHBondContact O-N 3.03Å; K41-Q43 PolarHBondContact O-N 3.09Å; K41-N44 PolarHBondContact O-N 2.87Å |
| 42 | D | 89.5 | Confident | 90 | Very high | 125 Ų | 125 | 74 Ų | 74 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | 177.3 | -60.6 | -28.8 | 0 | 0 | 0 | 111.6 | K38 K39 N44 | K38-D42 PolarHBondContact O-N 3.46Å; K39-D42 PolarHBondContact O-N 3.02Å; D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.11Å |
| 43 | Q | 86.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 77.5 Ų | 77.5 | 34% | 0.341 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3.4 | 174.6 | -67.5 | -174.9 | -24.2 | 0 | 0 | 114.1 | K39 K41 L45 | K39-Q43 WeakPolarHBondContact O-CG 3.47Å; K39-Q43 PolarHBondContact O-N 3.4Å; K41-Q43 PolarHBondContact O-N 3.09Å; Q43-L45 HydrophobicContact CB-CD1 4.29Å; Q43-L45 HydrophobicContact CB-CG 4.06Å; Q43-L45 PolarHBondContact O-N 3.34Å |
| 44 | N | 85.6 | Confident | 90.4 | Very high | 146 Ų | 146 | 82.6 Ų | 82.6 | 78% | 0.781 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 31.7 | -176.3 | -60.5 | -65.3 | 0 | 0 | 0 | 114.4 | A40 K41 D42 | A40-N44 PolarHBondContact O-N 3.26Å; K41-N44 PolarHBondContact O-N 2.87Å; D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.11Å |
| 45 | L | 86 | Confident | 90.6 | Very high | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | trans | -77.8 | 147 | 174.4 | -62.1 | 173.9 | 0 | 0 | 0 | 110.7 | A40 Q43 V47 A94 L98 | A40-L45 HydrophobicContact CB-CB 4.49Å; A40-L45 HydrophobicContact CB-CD1 4.47Å; A40-L45 WeakPolarHBondContact O-CB 3.39Å; A40-L45 PolarHBondContact O-N 3.43Å; Q43-L45 HydrophobicContact CB-CD1 4.29Å; Q43-L45 HydrophobicContact CB-CG 4.06Å; Q43-L45 PolarHBondContact O-N 3.34Å; L45-V47 PolarHBondContact O-N 2.9Å; L45-A94 HydrophobicContact CD1-CB 4.45Å; L45-A94 HydrophobicContact CD2-CB 4.48Å; L45-L98 HydrophobicContact CD1-CD1 4.06Å | ||
| 46 | R | 88.8 | Confident | 90.8 | Very high | 191 Ų | 191 | 87.6 Ų | 87.6 | 72% | 0.721 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 113 | 172.4 | -67.3 | 177.2 | 67.4 | -163.2 | 4.7 | 109.2 | L89 | R46-L89 HydrophobicContact CB-CB 4.18Å; R46-L89 PolarHBondContact O-N 2.92Å |
| 47 | V | 90.8 | Very high | 91.2 | Very high | 41 Ų | 41 | 90 Ų | 90 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.5 | -178 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | A40 L45 I86 L88 | A40-V47 HydrophobicContact CB-CG2 3.53Å; L45-V47 PolarHBondContact O-N 2.9Å; V47-I86 HydrophobicContact CG1-CG2 3.96Å; V47-L88 HydrophobicContact CB-CD2 3.97Å; V47-L88 HydrophobicContact CG1-CD2 3.75Å; V47-L88 HydrophobicContact CG2-CD2 3.58Å |
| 48 | K | 91 | Very high | 91.4 | Very high | 129 Ų | 129 | 93.5 Ų | 93.5 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124 | 155.8 | -65.8 | -178 | 177.4 | 176.8 | 0 | 106.9 | D87 | K48-D87 HydrophobicContact CB-CB 4.08Å; K48-D87 HydrophobicContact CD-CB 4.22Å; K48-D87 PolarHBondContact N-O 3.3Å |
| 49 | G | 84.7 | Confident | 91.7 | Very high | 42 Ų | 42 | 95.4 Ų | 95.4 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 173.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V51 | G49-V51 PolarHBondContact O-N 3.49Å |
| 50 | P | 92.4 | Very high | 92 | Very high | 49 Ų | 49 | 96.9 Ų | 96.9 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 107.2 | -175 | 29.3 | -32.7 | 0 | 0 | 0 | 109.9 | T33 I37 R52 I86 | T33-P50 HydrophobicContact CG2-CB 3.46Å; T33-P50 VanDerWaalsContact CG2-CB 3.46Å; T33-P50 HydrophobicContact CG2-CG 4.18Å; I37-P50 HydrophobicContact CD1-CB 3.98Å; I37-P50 VanDerWaalsContact CD1-CD 3.49Å; I37-P50 HydrophobicContact CD1-CG 3.54Å; P50-R52 PolarHBondContact O-N 2.96Å; P50-I86 HydrophobicContact CB-CG1 4.16Å |
| 51 | V | 95.6 | Very high | 92.3 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.3 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | G49 M53 R84 V85 | G49-V51 PolarHBondContact O-N 3.49Å; V51-M53 HydrophobicContact CG1-SD 4.33Å; V51-M53 PolarHBondContact O-N 2.66Å; V51-R84 WeakPolarHBondContact O-CA 3.45Å; V51-V85 HydrophobicContact CB-CB 4.49Å; V51-V85 PolarHBondContact N-O 3.23Å; V51-V85 PolarHBondContact O-N 3.05Å |
| 52 | R | 95.8 | Very high | 92.4 | Very high | 159 Ų | 159 | 97 Ų | 97 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 103.7 | 173.8 | -65.4 | -162.6 | 169.4 | 118.7 | 0.1 | 108.9 | E30 P50 R84 | E30-R52 IonicContact OE1-NE 3.69Å; E30-R52 IonicContact OE1-NH2 3.92Å; E30-R52 IonicContact OE2-CZ 3.81Å; E30-R52 IonicContact OE2-NE 3.87Å; E30-R52 IonicContact OE2-NH2 2.87Å; E30-R52 PolarHBondContact OE2-NH2 2.99Å; P50-R52 PolarHBondContact O-N 2.96Å; R52-R84 VanDerWaalsContact CD-CZ 3.47Å; R52-R84 VanDerWaalsContact CG-CZ 3.44Å |
| 53 | M | 95.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 95 Ų | 95 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 150.6 | 172.6 | -67.2 | -61.9 | -72.3 | 0 | 0 | 110.1 | V51 T55 K83 V85 | V51-M53 HydrophobicContact CG1-SD 4.33Å; V51-M53 PolarHBondContact O-N 2.66Å; M53-T55 PolarHBondContact O-N 3.34Å; M53-K83 HydrophobicContact CB-CB 3.92Å; M53-K83 HydrophobicContact CB-CD 4.21Å; M53-K83 HydrophobicContact CB-CG 4.02Å; M53-K83 HydrophobicContact CG-CD 4.15Å; M53-K83 HydrophobicContact CG-CG 4.1Å; M53-K83 PolarHBondContact N-O 3.1Å; M53-K83 VanDerWaalsContact N-O 3.1Å; M53-V85 HydrophobicContact CG-CG2 3.84Å |
| 54 | P | 96.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 134.7 | 174.2 | -26.9 | 35 | 0 | 0 | 0 | 111.2 | K56 | P54-K56 PolarHBondContact O-N 3.43Å |
| 55 | T | 95.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 91.9 Ų | 91.9 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 119.1 | 178.6 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | M53 V57 R80 I81 H82 | M53-T55 PolarHBondContact O-N 3.34Å; T55-V57 PolarHBondContact O-N 3.39Å; T55-R80 HydrophobicContact CG2-CB 3.88Å; T55-R80 HydrophobicContact CG2-CG 4.41Å; T55-I81 WeakPolarHBondContact CA-O 3.29Å; T55-I81 WeakPolarHBondContact CG2-O 3.42Å; T55-H82 VanDerWaalsContact CG2-CE1 3.46Å; T55-H82 WeakPolarHBondContact CG2-CE1 3.2Å; T55-H82 WeakPolarHBondContact CG2-ND1 3.21Å; T55-H82 PolarHBondContact OG1-ND1 3.26Å |
| 56 | K | 95.2 | Very high | 92.7 | Very high | 150 Ų | 150 | 96.8 Ų | 96.8 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.4 | 174.1 | -65.6 | -173.7 | 177.4 | -173.3 | 0 | 108.3 | P54 I81 | P54-K56 PolarHBondContact O-N 3.43Å; K56-I81 HydrophobicContact CB-CB 4.36Å; K56-I81 PolarHBondContact N-O 3.27Å; K56-I81 VanDerWaalsContact N-O 3.1Å; K56-I81 PolarHBondContact O-N 3.11Å |
| 57 | V | 96.5 | Very high | 92.2 | Very high | 56 Ų | 56 | 92.2 Ų | 92.2 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.7 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | T55 R59 Q78 R80 | T55-V57 PolarHBondContact O-N 3.39Å; V57-R59 HydrophobicContact CG1-CG 3.89Å; V57-Q78 HydrophobicContact CG1-CB 4.41Å; V57-R80 HydrophobicContact CG1-CG 4.39Å; V57-R80 HydrophobicContact CG2-CG 4.3Å |
| 58 | L | 96 | Very high | 91.4 | Very high | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.9 | 168.2 | -54.8 | -178.5 | 0 | 0 | 0 | 107.8 | Q78 F79 I81 | L58-Q78 WeakPolarHBondContact O-CA 3.39Å; L58-F79 HydrophobicContact CB-CB 4.24Å; L58-F79 HydrophobicContact CD1-CD1 4.03Å; L58-F79 PolarHBondContact N-O 3.1Å; L58-F79 PolarHBondContact O-N 2.94Å; L58-I81 HydrophobicContact CD1-CD1 4.02Å; L58-I81 HydrophobicContact CG-CD1 4.32Å |
| 59 | R | 96.7 | Very high | 90.8 | Very high | 176 Ų | 176 | 93.3 Ų | 93.3 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.1 | -179.5 | -62.6 | -176.1 | 173.2 | 167.8 | -1.4 | 108.6 | V57 F77 Q78 | V57-R59 HydrophobicContact CG1-CG 3.89Å; R59-F77 WeakPolarHBondContact CA-O 3.34Å; R59-Q78 HydrophobicContact CG-CG 4.35Å |
| 60 | I | 95.9 | Very high | 90.4 | Very high | 111 Ų | 111 | 94 Ų | 94 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.9 | 169.5 | -61.7 | 175.7 | 0 | 0 | 0 | 106.2 | T62 F77 | I60-T62 HydrophobicContact CG2-CG2 4.06Å; I60-F77 HydrophobicContact CB-CB 4.43Å; I60-F77 PolarHBondContact N-O 3.2Å; I60-F77 PolarHBondContact O-N 3.29Å |
| 61 | T | 94.3 | Very high | 89.9 | Confident | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.7 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | D75 R76 | T61-D75 VanDerWaalsContact CA-O 3.24Å; T61-D75 WeakPolarHBondContact CA-O 3.5Å; T61-R76 HydrophobicContact CG2-CB 4.43Å; T61-R76 HydrophobicContact CG2-CG 4.05Å |
| 62 | T | 91.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 100.6 Ų | 100.6 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 158.9 | 179.7 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | I60 W74 D75 | I60-T62 HydrophobicContact CG2-CG2 4.06Å; T62-W74 CarbonylContact O-C 3.55Å; T62-W74 WeakPolarHBondContact O-CA 3.45Å; T62-D75 PolarHBondContact N-O 3.14Å; T62-D75 PolarHBondContact O-N 3.35Å |
| 63 | R | 90.4 | Very high | 89.1 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 142.7 | 166.6 | -68.4 | -70.2 | -65.5 | -88.4 | -3.5 | 108.7 | G68 W74 | R63-G68 PolarHBondContact NH1-O 3.49Å; R63-G68 PolarHBondContact NH2-O 3.37Å; R63-W74 VanDerWaalsContact CD-CZ2 3.47Å; R63-W74 HydrophobicContact CG-CE3 4.14Å; R63-W74 HydrophobicContact CG-CH2 4Å; R63-W74 HydrophobicContact CG-CZ2 4.41Å; R63-W74 HydrophobicContact CG-CZ3 3.85Å |
| 64 | K | 90.2 | Very high | 88.9 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 53% | 0.53 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -70.2 | -39.9 | 171.3 | -66.8 | -166.6 | 171.4 | -177.8 | 0 | 111.8 | T73 D75 | K64-T73 PolarHBondContact N-O 2.76Å; K64-D75 WeakPolarHBondContact CE-OD1 3.44Å; K64-D75 WeakPolarHBondContact CG-OD2 3.5Å; K64-D75 IonicContact NZ-OD1 3.24Å |
| 65 | T | 87.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 95.5 Ų | 95.5 | 20% | 0.202 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -79.9 | 135.4 | -176.6 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 66 | P | 85.7 | Confident | 88.7 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 88% | 0.877 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -36.6 | -178.1 | 27.8 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 67 | C | 78.3 | Confident | 88.8 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10 | -169.1 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | E69 | C67-E69 PolarHBondContact O-N 2.82Š|
| 68 | G | 74.6 | Confident | 88.8 | Confident | 37 Ų | 37 | 102.7 Ų | 102.7 | 38% | 0.381 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 69.3 | -30 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R63 | R63-G68 PolarHBondContact NH1-O 3.49Å; R63-G68 PolarHBondContact NH2-O 3.37Å |
| 69 | E | 78.9 | Confident | 88.8 | Confident | 155 Ų | 155 | 103.2 Ų | 103.2 | 72% | 0.724 | 52% | 0.524 | S | S | * | . | trans | -77.8 | 136.3 | 171.1 | -65.3 | -56.2 | 144.5 | 0 | 0 | 111.1 | C67 | C67-E69 PolarHBondContact O-N 2.82Š| ||
| 70 | G | 75.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 101.2 Ų | 101.2 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 123.4 | -169.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 71 | S | 82.1 | Confident | 88.8 | Confident | 76 Ų | 76 | 98.3 Ų | 98.3 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | trans | -58.9 | 143.2 | -177.2 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | T73 | S71-T73 PolarHBondContact O-N 2.86Å; S71-T73 PolarHBondContact O-OG1 2.86Å; S71-T73 VanDerWaalsContact OG-CG2 3.3Å; S71-T73 WeakPolarHBondContact OG-CG2 3.33Å; S71-T73 PolarHBondContact OG-OG1 3.18Å | ||
| 72 | K | 83.4 | Confident | 88.9 | Confident | 191 Ų | 191 | 95.2 Ų | 95.2 | 83% | 0.83 | 48% | 0.481 | S | S | * | . | trans | -71 | 54.1 | 178.4 | -64 | -180 | -178.8 | 176.9 | 0 | 111.9 | ||||
| 73 | T | 90.6 | Very high | 89.1 | Confident | 51 Ų | 51 | 96 Ų | 96 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | trans | -98.2 | 137.6 | -179.4 | 55 | 0 | 0 | 0 | 0 | 110.8 | K64 S71 | K64-T73 PolarHBondContact N-O 2.76Å; S71-T73 PolarHBondContact O-N 2.86Å; S71-T73 PolarHBondContact O-OG1 2.86Å; S71-T73 VanDerWaalsContact OG-CG2 3.3Å; S71-T73 WeakPolarHBondContact OG-CG2 3.33Å; S71-T73 PolarHBondContact OG-OG1 3.18Å | ||
| 74 | W | 91.8 | Very high | 89.3 | Confident | 135 Ų | 135 | 93 Ų | 93 | 51% | 0.511 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.1 | -173.8 | -63.7 | 84.2 | 0 | 0 | 0 | 110 | T62 R63 | T62-W74 CarbonylContact O-C 3.55Å; T62-W74 WeakPolarHBondContact O-CA 3.45Å; R63-W74 VanDerWaalsContact CD-CZ2 3.47Å; R63-W74 HydrophobicContact CG-CE3 4.14Å; R63-W74 HydrophobicContact CG-CH2 4Å; R63-W74 HydrophobicContact CG-CZ2 4.41Å; R63-W74 HydrophobicContact CG-CZ3 3.85Å |
| 75 | D | 93.4 | Very high | 89.5 | Confident | 52 Ų | 52 | 87.9 Ų | 87.9 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138.6 | 164.2 | -76.1 | -37.2 | 0 | 0 | 0 | 109.8 | T61 T62 K64 F77 | T61-D75 VanDerWaalsContact CA-O 3.24Å; T61-D75 WeakPolarHBondContact CA-O 3.5Å; T62-D75 PolarHBondContact N-O 3.14Å; T62-D75 PolarHBondContact O-N 3.35Å; K64-D75 WeakPolarHBondContact CE-OD1 3.44Å; K64-D75 WeakPolarHBondContact CG-OD2 3.5Å; K64-D75 IonicContact NZ-OD1 3.24Å; D75-F77 HydrophobicContact CB-CD2 4.17Å; D75-F77 HydrophobicContact CB-CE2 3.51Å; D75-F77 HydrophobicContact CB-CZ 3.82Å |
| 76 | R | 95.5 | Very high | 89.8 | Confident | 196 Ų | 196 | 86.3 Ų | 86.3 | 74% | 0.74 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 83.9 | -178.8 | -62.4 | -175.6 | 175.5 | 175.2 | -1.2 | 109.2 | T61 | T61-R76 HydrophobicContact CG2-CB 4.43Å; T61-R76 HydrophobicContact CG2-CG 4.05Å |
| 77 | F | 96.7 | Very high | 90.1 | Very high | 120 Ų | 120 | 81.2 Ų | 81.2 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.7 | 176.1 | -59.4 | -73.5 | 0 | 0 | 0 | 110.4 | R59 I60 D75 | R59-F77 WeakPolarHBondContact CA-O 3.34Å; I60-F77 HydrophobicContact CB-CB 4.43Å; I60-F77 PolarHBondContact N-O 3.2Å; I60-F77 PolarHBondContact O-N 3.29Å; D75-F77 HydrophobicContact CB-CD2 4.17Å; D75-F77 HydrophobicContact CB-CE2 3.51Å; D75-F77 HydrophobicContact CB-CZ 3.82Å |
| 78 | Q | 96.1 | Very high | 90.6 | Very high | 95 Ų | 95 | 76.7 Ų | 76.7 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.9 | 176.9 | -62 | -170.7 | 1.5 | 0 | 0 | 110.4 | V57 L58 R59 | V57-Q78 HydrophobicContact CG1-CB 4.41Å; L58-Q78 WeakPolarHBondContact O-CA 3.39Å; R59-Q78 HydrophobicContact CG-CG 4.35Å |
| 79 | F | 96.2 | Very high | 91.3 | Very high | 108 Ų | 108 | 76.5 Ų | 76.5 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.3 | 167 | -174.3 | -101.4 | 0 | 0 | 0 | 108.9 | A24 L58 I81 | A24-F79 HydrophobicContact CB-CE2 3.71Å; A24-F79 HydrophobicContact CB-CZ 3.74Å; L58-F79 HydrophobicContact CB-CB 4.24Å; L58-F79 HydrophobicContact CD1-CD1 4.03Å; L58-F79 PolarHBondContact N-O 3.1Å; L58-F79 PolarHBondContact O-N 2.94Å; F79-I81 HydrophobicContact CD1-CD1 4.28Å; F79-I81 HydrophobicContact CD1-CG1 3.77Å; F79-I81 HydrophobicContact CE1-CD1 4.13Å; F79-I81 HydrophobicContact CE1-CG1 3.53Å |
| 80 | R | 96 | Very high | 91.5 | Very high | 133 Ų | 133 | 69.2 Ų | 69.2 | 50% | 0.502 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.8 | -177.6 | -65.3 | -176.4 | -176.7 | -174.9 | 2 | 108.9 | A24 T55 V57 | A24-R80 WeakPolarHBondContact CA-O 3.41Å; T55-R80 HydrophobicContact CG2-CB 3.88Å; T55-R80 HydrophobicContact CG2-CG 4.41Å; V57-R80 HydrophobicContact CG1-CG 4.39Å; V57-R80 HydrophobicContact CG2-CG 4.3Å |
| 81 | I | 96.4 | Very high | 92 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109 | 174 | -59.9 | 168.6 | 0 | 0 | 0 | 107.2 | T55 K56 L58 F79 | T55-I81 WeakPolarHBondContact CA-O 3.29Å; T55-I81 WeakPolarHBondContact CG2-O 3.42Å; K56-I81 HydrophobicContact CB-CB 4.36Å; K56-I81 PolarHBondContact N-O 3.27Å; K56-I81 VanDerWaalsContact N-O 3.1Å; K56-I81 PolarHBondContact O-N 3.11Å; L58-I81 HydrophobicContact CD1-CD1 4.02Å; L58-I81 HydrophobicContact CG-CD1 4.32Å; F79-I81 HydrophobicContact CD1-CD1 4.28Å; F79-I81 HydrophobicContact CD1-CG1 3.77Å; F79-I81 HydrophobicContact CE1-CD1 4.13Å; F79-I81 HydrophobicContact CE1-CG1 3.53Å |
| 82 | H | 96.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.3 | 173.7 | -59.6 | -71.3 | 0 | 0 | 0 | 108.7 | T22 A23 A24 V26 L29 T55 | T22-H82 WeakPolarHBondContact CA-O 3.43Å; A23-H82 PolarHBondContact N-O 2.73Å; A23-H82 PolarHBondContact O-N 3.19Å; A24-H82 PolarHBondContact O-CD2 2.89Å; A24-H82 VanDerWaalsContact O-CD2 3.31Å; V26-H82 WeakPolarHBondContact CG2-NE2 3.38Å; L29-H82 HydrophobicContact CD2-CB 3.44Å; L29-H82 VanDerWaalsContact CD2-CB 3.44Å; T55-H82 VanDerWaalsContact CG2-CE1 3.46Å; T55-H82 WeakPolarHBondContact CG2-CE1 3.2Å; T55-H82 WeakPolarHBondContact CG2-ND1 3.21Å; T55-H82 PolarHBondContact OG1-ND1 3.26Å |
| 83 | K | 95.6 | Very high | 91.8 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.8 | 179.8 | -178 | 177 | -170.7 | 179.1 | 0 | 110 | T20 L21 T22 M53 V85 | T20-K83 HydrophobicContact CG2-CD 4.29Å; T20-K83 HydrophobicContact CG2-CG 4.19Å; L21-K83 CarbonylContact O-C 3.57Å; L21-K83 WeakPolarHBondContact O-CA 3.46Å; T22-K83 HydrophobicContact CG2-CB 4.11Å; T22-K83 HydrophobicContact CG2-CD 4.4Å; T22-K83 HydrophobicContact CG2-CG 3.94Å; M53-K83 HydrophobicContact CB-CB 3.92Å; M53-K83 HydrophobicContact CB-CD 4.21Å; M53-K83 HydrophobicContact CB-CG 4.02Å; M53-K83 HydrophobicContact CG-CD 4.15Å; M53-K83 HydrophobicContact CG-CG 4.1Å; M53-K83 PolarHBondContact N-O 3.1Å; M53-K83 VanDerWaalsContact N-O 3.1Å; K83-V85 HydrophobicContact CG-CG2 4.44Å |
| 84 | R | 95.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.2 | 171.3 | -55.5 | -63.2 | -179.7 | -133.2 | 8.6 | 108.4 | L21 L29 E30 V51 R52 | L21-R84 HydrophobicContact CB-CB 4.27Å; L21-R84 PolarHBondContact N-O 2.83Å; L21-R84 PolarHBondContact O-N 3.35Å; L29-R84 HydrophobicContact CD1-CG 4.26Å; L29-R84 HydrophobicContact CD2-CG 3.88Å; L29-R84 HydrophobicContact CG-CG 3.94Å; E30-R84 IonicContact OE1-CZ 2.73Å; E30-R84 VanDerWaalsContact OE1-CZ 3.24Å; E30-R84 IonicContact OE1-NE 3.91Å; E30-R84 PolarHBondContact OE1-NE 3.24Å; E30-R84 IonicContact OE1-NH2 2.89Å; E30-R84 PolarHBondContact OE1-NH2 2.88Å; V51-R84 WeakPolarHBondContact O-CA 3.45Å; R52-R84 VanDerWaalsContact CD-CZ 3.47Å; R52-R84 VanDerWaalsContact CG-CZ 3.44Å |
| 85 | V | 94.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.6 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | R18 V19 V51 M53 K83 | R18-V85 HydrophobicContact CG-CG1 3.62Å; V19-V85 CarbonylContact O-C 3.53Å; V19-V85 WeakPolarHBondContact O-CA 3.38Å; V51-V85 HydrophobicContact CB-CB 4.49Å; V51-V85 PolarHBondContact N-O 3.23Å; V51-V85 PolarHBondContact O-N 3.05Å; M53-V85 HydrophobicContact CG-CG2 3.84Å; K83-V85 HydrophobicContact CG-CG2 4.44Å |
| 86 | I | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.3 | 175.6 | -65.8 | 167.3 | 0 | 0 | 0 | 106.8 | V19 T33 L36 I37 V47 P50 L88 | V19-I86 HydrophobicContact CB-CB 4.49Å; V19-I86 PolarHBondContact N-O 2.92Å; V19-I86 PolarHBondContact O-N 3.4Å; T33-I86 HydrophobicContact CG2-CD1 3.87Å; L36-I86 HydrophobicContact CB-CD1 4.36Å; L36-I86 HydrophobicContact CD2-CD1 3.73Å; L36-I86 HydrophobicContact CG-CD1 4.43Å; I37-I86 HydrophobicContact CD1-CD1 4.34Å; I37-I86 HydrophobicContact CG1-CD1 4Å; V47-I86 HydrophobicContact CG1-CG2 3.96Å; P50-I86 HydrophobicContact CB-CG1 4.16Å; I86-L88 HydrophobicContact CG2-CD2 3.84Å; I86-L88 HydrophobicContact CG2-CG 4.06Å |
| 87 | D | 91.8 | Very high | 89.4 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129 | 174.5 | -64.6 | -23.9 | 0 | 0 | 0 | 109 | V17 R18 K48 | V17-D87 CarbonylContact O-C 3.57Å; V17-D87 WeakPolarHBondContact O-CA 3.45Å; R18-D87 WeakPolarHBondContact CB-OD1 3.18Å; R18-D87 VanDerWaalsContact CG-OD1 3.31Å; R18-D87 WeakPolarHBondContact CG-OD1 3.22Å; R18-D87 IonicContact CZ-OD1 3.53Å; R18-D87 IonicContact CZ-OD2 3.72Å; R18-D87 IonicContact NE-OD1 2.74Å; R18-D87 PolarHBondContact NE-OD1 3.03Å; R18-D87 IonicContact NE-OD2 3.69Å; R18-D87 IonicContact NH2-OD1 3.44Å; R18-D87 PolarHBondContact NH2-OD1 3.25Å; R18-D87 IonicContact NH2-OD2 2.87Å; R18-D87 PolarHBondContact NH2-OD2 3.48Å; K48-D87 HydrophobicContact CB-CB 4.08Å; K48-D87 HydrophobicContact CD-CB 4.22Å; K48-D87 PolarHBondContact N-O 3.3Å |
| 88 | L | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.8 | -178.8 | -58.7 | 175.1 | 0 | 0 | 0 | 109.2 | W16 V17 V19 A40 V47 I86 L98 | W16-L88 CarbonylContact C-O 3.58Å; W16-L88 WeakPolarHBondContact CA-O 3.44Å; V17-L88 PolarHBondContact N-O 2.98Å; V17-L88 PolarHBondContact O-N 3.35Å; V19-L88 HydrophobicContact CG2-CD1 4.22Å; A40-L88 HydrophobicContact CB-CD2 3.95Å; V47-L88 HydrophobicContact CB-CD2 3.97Å; V47-L88 HydrophobicContact CG1-CD2 3.75Å; V47-L88 HydrophobicContact CG2-CD2 3.58Å; I86-L88 HydrophobicContact CG2-CD2 3.84Å; I86-L88 HydrophobicContact CG2-CG 4.06Å; L88-L98 HydrophobicContact CD1-CD1 3.56Å |
| 89 | L | 88.9 | Confident | 87.5 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 104.3 | 161.7 | -176.3 | 71.4 | 0 | 0 | 0 | 107.4 | R14 W16 R46 | R14-L89 HydrophobicContact CB-CD1 4.02Å; R14-L89 HydrophobicContact CB-CG 4.11Å; W16-L89 HydrophobicContact CG-CD1 4.29Å; R46-L89 HydrophobicContact CB-CB 4.18Å; R46-L89 PolarHBondContact O-N 2.92Å |
| 90 | S | 83.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.9 | -169.6 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | N15 A94 T95 | N15-S90 PolarHBondContact N-O 3.41Å; N15-S90 PolarHBondContact O-N 3.04Å; S90-A94 VanDerWaalsContact OG-CB 3.27Å; S90-A94 WeakPolarHBondContact OG-CB 3.34Å; S90-T95 PolarHBondContact OG-OG1 3.02Å |
| 91 | T | 84.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | trans | -77.9 | 161.6 | 162.9 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | E93 A94 T95 | T91-E93 PolarHBondContact O-N 3.31Å; T91-A94 PolarHBondContact O-N 3.37Å; T91-T95 PolarHBondContact O-N 2.91Å; T91-T95 VanDerWaalsContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.49Å | ||
| 92 | D | 80.5 | Confident | 83.2 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | -179.8 | -171.7 | 45.8 | 0 | 0 | 0 | 112.1 | A94 T95 Q96 | D92-A94 PolarHBondContact O-N 2.84Å; D92-T95 WeakPolarHBondContact O-CA 3.45Å; D92-T95 VanDerWaalsContact O-CB 3.27Å; D92-T95 WeakPolarHBondContact O-CB 3.32Å; D92-T95 PolarHBondContact O-N 2.83Å; D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 3.42Å; D92-Q96 VanDerWaalsContact OD2-NE2 3.07Å |
| 93 | E | 82.2 | Confident | 82 | Confident | 149 Ų | 149 | 59 Ų | 59 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.2 | -47.7 | 177 | -63 | 179.2 | 176 | 0 | 0 | 112.8 | T91 T95 Q96 Q97 | T91-E93 PolarHBondContact O-N 3.31Å; E93-T95 PolarHBondContact O-N 2.86Å; E93-Q96 PolarHBondContact O-N 2.81Å; E93-Q97 WeakPolarHBondContact O-CG 3.46Å; E93-Q97 PolarHBondContact O-N 3.47Å |
| 94 | A | 80.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -29.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L45 S90 T91 D92 Q97 L98 | L45-A94 HydrophobicContact CD1-CB 4.45Å; L45-A94 HydrophobicContact CD2-CB 4.48Å; S90-A94 VanDerWaalsContact OG-CB 3.27Å; S90-A94 WeakPolarHBondContact OG-CB 3.34Å; T91-A94 PolarHBondContact O-N 3.37Å; D92-A94 PolarHBondContact O-N 2.84Å; A94-Q97 PolarHBondContact O-N 3.02Å; A94-L98 WeakPolarHBondContact O-CD1 3.38Å; A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 2.89Å; A94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | T | 78.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | V17 S90 T91 D92 E93 L98 K99 V111 | V17-T95 HydrophobicContact CG1-CG2 3.84Å; V17-T95 HydrophobicContact CG2-CG2 4.07Å; S90-T95 PolarHBondContact OG-OG1 3.02Å; T91-T95 PolarHBondContact O-N 2.91Å; T91-T95 VanDerWaalsContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.49Å; D92-T95 WeakPolarHBondContact O-CA 3.45Å; D92-T95 VanDerWaalsContact O-CB 3.27Å; D92-T95 WeakPolarHBondContact O-CB 3.32Å; D92-T95 PolarHBondContact O-N 2.83Å; E93-T95 PolarHBondContact O-N 2.86Å; T95-L98 PolarHBondContact O-N 2.99Å; T95-K99 PolarHBondContact O-N 2.85Å; T95-V111 HydrophobicContact CG2-CG1 4Å |
| 96 | Q | 80.9 | Confident | 80.6 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.9 | -63.9 | 176.8 | 21.5 | 0 | 0 | 111.2 | D92 E93 L98 K99 H100 | D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 3.42Å; D92-Q96 VanDerWaalsContact OD2-NE2 3.07Å; E93-Q96 PolarHBondContact O-N 2.81Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 2.82Å; Q96-K99 WeakPolarHBondContact O-CB 3.46Å; Q96-K99 PolarHBondContact O-N 3.05Å; Q96-H100 PolarHBondContact O-CD2 3.24Å |
| 97 | Q | 80.9 | Confident | 80.6 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 175.6 | -68 | 176.6 | 4.4 | 0 | 0 | 112.1 | E93 A94 K99 H100 I101 | E93-Q97 WeakPolarHBondContact O-CG 3.46Å; E93-Q97 PolarHBondContact O-N 3.47Å; A94-Q97 PolarHBondContact O-N 3.02Å; Q97-K99 VanDerWaalsContact C-N 3.31Å; Q97-K99 PolarHBondContact O-N 3.2Å; Q97-H100 PolarHBondContact O-N 3.24Å; Q97-I101 WeakPolarHBondContact O-CD1 3.36Å; Q97-I101 WeakPolarHBondContact O-CG1 3.42Å |
| 98 | L | 78.1 | Confident | 80.5 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -32.1 | 179.6 | -72.2 | 162.2 | 0 | 0 | 0 | 113.3 | L36 L45 L88 A94 T95 Q96 | L36-L98 HydrophobicContact CD1-CB 4.5Å; L36-L98 HydrophobicContact CD1-CD2 3.65Å; L45-L98 HydrophobicContact CD1-CD1 4.06Å; L88-L98 HydrophobicContact CD1-CD1 3.56Å; A94-L98 WeakPolarHBondContact O-CD1 3.38Å; A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 2.89Å; A94-L98 VanDerWaalsContact O-N 3.1Å; T95-L98 PolarHBondContact O-N 2.99Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 2.82Å |
| 99 | K | 74.8 | Confident | 80.5 | Confident | 114 Ų | 114 | 73 Ų | 73 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 179.4 | -72.9 | 174.1 | 179.4 | 177.9 | 0 | 112.7 | T95 Q96 Q97 I101 V111 | T95-K99 PolarHBondContact O-N 2.85Å; Q96-K99 WeakPolarHBondContact O-CB 3.46Å; Q96-K99 PolarHBondContact O-N 3.05Å; Q97-K99 VanDerWaalsContact C-N 3.31Å; Q97-K99 PolarHBondContact O-N 3.2Å; K99-I101 PolarHBondContact O-N 3.35Å; K99-V111 HydrophobicContact CG-CB 4.35Å; K99-V111 HydrophobicContact CG-CG2 3.96Å |
| 100 | H | 69.5 | Low | 80.5 | Confident | 165 Ų | 165 | 75.2 Ų | 75.2 | 76% | 0.764 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -13.2 | -172.2 | -72.1 | -66.2 | 0 | 0 | 0 | 114.4 | Q96 Q97 | Q96-H100 PolarHBondContact O-CD2 3.24Å; Q97-H100 PolarHBondContact O-N 3.24Å |
| 101 | I | 64.5 | Low | 80.8 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 30% | 0.303 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.3 | -159.6 | -72.1 | 171.7 | 0 | 0 | 0 | 114 | K39 Q97 K99 | K39-I101 HydrophobicContact CD-CD1 3.91Å; K39-I101 HydrophobicContact CD-CG2 3.77Å; Q97-I101 WeakPolarHBondContact O-CD1 3.36Å; Q97-I101 WeakPolarHBondContact O-CG1 3.42Å; K99-I101 PolarHBondContact O-N 3.35Å |
| 102 | Y | 64.5 | Low | 81 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | trans | -129.8 | 100.4 | -168.1 | -64.5 | -73.6 | 0 | 0 | 0 | 113.5 | V32 G35 L36 K39 | V32-Y102 HydrophobicContact CG1-CD1 4.01Å; V32-Y102 HydrophobicContact CG1-CG 3.9Å; V32-Y102 HydrophobicContact CG2-CD1 4.42Å; G35-Y102 WeakPolarHBondContact CA-OH 3.35Å; G35-Y102 PolarHBondContact O-OH 3.49Å; L36-Y102 HydrophobicContact CB-CE2 4.11Å; L36-Y102 HydrophobicContact CD1-CD2 4.04Å; L36-Y102 HydrophobicContact CD1-CE2 3.67Å; L36-Y102 PolarHBondContact N-OH 2.8Å; K39-Y102 HydrophobicContact CD-CE2 4.44Å; K39-Y102 WeakPolarHBondContact CD-OH 3.42Å; K39-Y102 WeakPolarHBondContact CE-OH 3.35Å | ||
| 103 | L | 69.3 | Low | 81.3 | Confident | 173 Ų | 173 | 76.3 Ų | 76.3 | 91% | 0.906 | 40% | 0.403 | S | S | * | . | trans | -116.9 | 58.7 | 166.3 | -168.3 | 73.6 | 0 | 0 | 0 | 109.5 | ||||
| 104 | E | 82 | Confident | 81.2 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | trans | -72.2 | 128.7 | 167.2 | -173.3 | 73.3 | -177.4 | 0 | 0 | 107.8 | P28 V32 G106 V107 | P28-E104 HydrophobicContact CB-CG 3.58Å; V32-E104 HydrophobicContact CG2-CB 3.5Å; V32-E104 VanDerWaalsContact CG2-CB 3.5Å; V32-E104 HydrophobicContact CG2-CG 4.13Å; E104-G106 PolarHBondContact O-N 3.49Å; E104-V107 HydrophobicContact CB-CB 4.47Å; E104-V107 HydrophobicContact CB-CG2 4.14Å; E104-V107 HydrophobicContact CG-CG2 4.19Å; E104-V107 PolarHBondContact O-N 3.34Å | ||
| 105 | P | 86.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 74.9 Ų | 74.9 | 71% | 0.708 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 128.4 | -177.3 | 24.1 | -33.8 | 0 | 0 | 0 | 110.8 | ||
| 106 | G | 88.6 | Confident | 79.8 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 7.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E104 | E104-G106 PolarHBondContact O-N 3.49Š|
| 107 | V | 91.6 | Very high | 77.9 | Confident | 13 Ų | 13 | 86.4 Ų | 86.4 | 8% | 0.079 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119 | 168.5 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | A23 P28 L29 V32 E104 | A23-V107 HydrophobicContact CB-CB 4.49Å; A23-V107 HydrophobicContact CB-CG2 4.06Å; P28-V107 HydrophobicContact CB-CG2 3.91Å; P28-V107 HydrophobicContact CG-CG2 4.38Å; L29-V107 HydrophobicContact CD1-CG1 4Å; V32-V107 HydrophobicContact CG1-CG1 4.44Å; V32-V107 HydrophobicContact CG2-CB 4.5Å; V32-V107 HydrophobicContact CG2-CG1 4.43Å; V32-V107 HydrophobicContact CG2-CG2 4.25Å; E104-V107 HydrophobicContact CB-CB 4.47Å; E104-V107 HydrophobicContact CB-CG2 4.14Å; E104-V107 HydrophobicContact CG-CG2 4.19Å; E104-V107 PolarHBondContact O-N 3.34Å |
| 108 | N | 91.1 | Very high | 77.7 | Confident | 111 Ų | 111 | 85.8 Ų | 85.8 | 59% | 0.594 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.7 | 174.4 | -70.1 | -16.8 | 0 | 0 | 0 | 109.9 | L21 T22 | L21-N108 WeakPolarHBondContact CA-O 3.37Å; T22-N108 PolarHBondContact N-O 3.03Å; T22-N108 PolarHBondContact O-N 2.75Å; T22-N108 WeakPolarHBondContact OG1-CB 3.24Å; T22-N108 PolarHBondContact OG1-O 2.73Å |
| 109 | C | 89.9 | Confident | 77.7 | Confident | 61 Ų | 61 | 89.5 Ų | 89.5 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.3 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | L21 | L21-C109 HydrophobicContact CD2-CB 4Å; L21-C109 WeakPolarHBondContact CD2-SG 3.3Å |
| 110 | D | 89.9 | Confident | 77.9 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.8 | 172.6 | 179.2 | 48.5 | 0 | 0 | 0 | 109.2 | V19 T20 K112 | V19-D110 CarbonylContact C-O 3.56Å; V19-D110 WeakPolarHBondContact CA-O 2.93Å; T20-D110 PolarHBondContact N-O 2.77Å; T20-D110 PolarHBondContact O-N 3.1Å; D110-K112 WeakPolarHBondContact OD2-CE 3.49Å |
| 111 | V | 89.3 | Confident | 78.4 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 21% | 0.212 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.8 | -177 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | V17 V19 T95 K99 | V17-V111 HydrophobicContact CG1-CG1 3.48Å; V17-V111 VanDerWaalsContact CG1-CG1 3.48Å; V19-V111 HydrophobicContact CG1-CG2 4.3Å; V19-V111 HydrophobicContact CG2-CG1 4.45Å; V19-V111 HydrophobicContact CG2-CG2 4.24Å; T95-V111 HydrophobicContact CG2-CG1 4Å; K99-V111 HydrophobicContact CG-CB 4.35Å; K99-V111 HydrophobicContact CG-CG2 3.96Å |
| 112 | K | 88.7 | Confident | 79.2 | Confident | 94 Ų | 94 | 85.2 Ų | 85.2 | 41% | 0.409 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.9 | 179 | -63.9 | -165.8 | 169 | -149.1 | 0 | 110.8 | V17 R18 D110 | V17-K112 CarbonylContact C-O 3.57Å; V17-K112 WeakPolarHBondContact CA-O 3.43Å; R18-K112 PolarHBondContact N-O 2.79Å; R18-K112 PolarHBondContact O-N 2.78Å; D110-K112 WeakPolarHBondContact OD2-CE 3.49Å |
| 113 | V | 86.9 | Confident | 80.2 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 16% | 0.164 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 142.6 | 172.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | N15 V17 G115 D116 | N15-V113 HydrophobicContact CB-CG1 3.83Å; V17-V113 HydrophobicContact CG2-CG1 4.49Å; V17-V113 HydrophobicContact CG2-CG2 4.25Å; V113-G115 PolarHBondContact O-N 2.74Å; V113-D116 PolarHBondContact O-N 3.37Å; V113-D116 VanDerWaalsContact O-N 3.1Å |
| 114 | A | 79.2 | Confident | 81 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 110.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | W16 | W16-A114 HydrophobicContact CB-CB 4.03Å; W16-A114 VanDerWaalsContact O-CB 3.29Å; W16-A114 WeakPolarHBondContact O-CB 3.31Å; W16-A114 PolarHBondContact O-N 2.74Å |
| 115 | G | 68.2 | Low | 80.9 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 77% | 0.773 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.8 | -30.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V113 | V113-G115 PolarHBondContact O-N 2.74Š|
| 116 | D | 61.8 | Low | 80.5 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | trans | -85.5 | 115.1 | 176.8 | -60.5 | -34.2 | 0 | 0 | 0 | 110 | V113 | V113-D116 PolarHBondContact O-N 3.37Å; V113-D116 VanDerWaalsContact O-N 3.1Å | ||
| 117 | L | 40.6 | Very low | 79.8 | Confident | 229 Ų | 229 | 81.2 Ų | 81.2 | 100% | 1.199 | 49% | 0.485 | S | S | * | . | trans | -76.5 | 0 | 170.6 | -96.4 | 154.6 | 0 | 0 | 0 | 110.8 |
Retrieved 117 of 117 residues in 70.6 ms
(Link to these results)