| 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 | 34.4 | Very low | 45.4 | Very low | 250 Ų | 250 | 164.4 Ų | 164.4 | 100% | 1.232 | 82% | 0.823 | S | S | * | * | 0 | 78.7 | 0 | -73.9 | -168.3 | -96.3 | 0 | 0 | 111 | |||||
| 2 | R | 39.2 | Very low | 46.6 | Very low | 248 Ų | 248 | 162 Ų | 162 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | trans | -139.4 | 108.9 | 161.1 | -115.2 | 178.3 | 166 | 149.7 | -3.6 | 104.3 | Q4 | R2-Q4 PolarHBondContact O-N 3Š| ||
| 3 | R | 44 | Very low | 48.3 | Very low | 247 Ų | 247 | 155.2 Ų | 155.2 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 107.3 | 179.6 | -73.8 | 174.2 | 163.4 | 167.4 | -6 | 106.8 | L5 | R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.31Å | ||
| 4 | Q | 40.3 | Very low | 50.3 | Low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -57.3 | 103.2 | 155.4 | -95.9 | 171.4 | -29.9 | 0 | 0 | 104.8 | R2 D6 | R2-Q4 PolarHBondContact O-N 3Å; Q4-D6 PolarHBondContact O-N 3.1Å | ||
| 5 | L | 49.7 | Very low | 52.3 | Low | 166 Ų | 166 | 149.3 Ų | 149.3 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -67.5 | 90.8 | 151.8 | -95 | 143.1 | 0 | 0 | 0 | 103.2 | R3 G7 | R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.31Å; L5-G7 PolarHBondContact O-N 3.07Å | ||
| 6 | D | 44.4 | Very low | 54.3 | Low | 123 Ų | 123 | 151.6 Ų | 151.6 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | -45.3 | 129 | 171.8 | -84.1 | -45.6 | 0 | 0 | 0 | 107.9 | Q4 F8 | Q4-D6 PolarHBondContact O-N 3.1Å; D6-F8 PolarHBondContact O-N 2.96Å | ||
| 7 | G | 41.6 | Very low | 56 | Low | 61 Ų | 61 | 148.9 Ų | 148.9 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | -49.1 | 105 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L5 D9 | L5-G7 PolarHBondContact O-N 3.07Å; G7-D9 PolarHBondContact O-N 3.06Å | ||
| 8 | F | 47.4 | Very low | 57.5 | Low | 193 Ų | 193 | 147.1 Ų | 147.1 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -63.6 | 92 | 138.3 | -83.7 | -88.4 | 0 | 0 | 0 | 104 | D6 S10 | D6-F8 PolarHBondContact O-N 2.96Å; F8-S10 PolarHBondContact O-N 3.06Å | ||
| 9 | D | 49.5 | Very low | 58.9 | Low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -35.4 | 95.7 | 151.4 | -69.8 | -47.9 | 0 | 0 | 0 | 105.1 | G7 P11 | G7-D9 PolarHBondContact O-N 3.06Å; D9-P11 VanDerWaalsContact C-N 3.33Å; D9-P11 WeakPolarHBondContact O-CD 3.27Å | ||
| 10 | S | 53.1 | Low | 60.4 | Low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -67.4 | 107.3 | 171.4 | -77.6 | 0 | 0 | 0 | 0 | 101.6 | F8 C12 | F8-S10 PolarHBondContact O-N 3.06Å; S10-C12 PolarHBondContact O-N 3.09Å | ||
| 11 | P | 55.9 | Low | 61.6 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -51.6 | 137.6 | 166.5 | 24.5 | -31.4 | 0 | 0 | 0 | 104.7 | D9 I13 | D9-P11 VanDerWaalsContact C-N 3.33Å; D9-P11 WeakPolarHBondContact O-CD 3.27Å; P11-I13 HydrophobicContact CG-CG2 4.08Å; P11-I13 WeakPolarHBondContact O-CG2 3.32Å; P11-I13 PolarHBondContact O-N 3.15Å | ||
| 12 | C | 59.9 | Low | 64.1 | Low | 136 Ų | 136 | 131.6 Ų | 131.6 | 92% | 0.919 | 66% | 0.656 | S | S | * | * | trans | -60 | 80.6 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 107.2 | S10 S14 | S10-C12 PolarHBondContact O-N 3.09Å; C12-S14 PolarHBondContact O-N 2.9Å | ||
| 13 | I | 68.9 | Low | 66.6 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 37% | 0.374 | 64% | 0.641 | S | S | . | * | trans | -64.9 | 127.5 | 178.7 | 51 | -178.2 | 0 | 0 | 0 | 104.4 | P11 E15 E17 Y18 | P11-I13 HydrophobicContact CG-CG2 4.08Å; P11-I13 WeakPolarHBondContact O-CG2 3.32Å; P11-I13 PolarHBondContact O-N 3.15Å; I13-E15 PolarHBondContact O-N 2.82Å; I13-E17 HydrophobicContact CB-CB 4.22Å; I13-Y18 HydrophobicContact CD1-CD2 3.61Å; I13-Y18 HydrophobicContact CD1-CG 4.23Å | ||
| 14 | S | 76.6 | Confident | 68.7 | Low | 57 Ų | 57 | 117.4 Ų | 117.4 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | trans | -54.8 | 147 | 174 | 62.1 | 0 | 0 | 0 | 0 | 108.3 | C12 R16 E17 Y18 | C12-S14 PolarHBondContact O-N 2.9Å; S14-R16 PolarHBondContact O-N 2.75Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 VanDerWaalsContact N-OE2 3.16Å; S14-E17 WeakPolarHBondContact O-CA 3.46Å; S14-E17 WeakPolarHBondContact O-CB 3.35Å; S14-E17 PolarHBondContact O-N 3.39Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.36Å; S14-E17 PolarHBondContact OG-N 2.8Å; S14-E17 PolarHBondContact OG-OE2 2.7Å; S14-E17 VanDerWaalsContact OG-OE2 3.07Å; S14-Y18 PolarHBondContact O-N 3.08Å | ||
| 15 | E | 80.3 | Confident | 71.1 | Confident | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -48.7 | -37.4 | 176.8 | -175.2 | -177.5 | 175.8 | 0 | 0 | 111.3 | I13 Y18 V19 | I13-E15 PolarHBondContact O-N 2.82Å; E15-Y18 WeakPolarHBondContact O-CB 3.45Å; E15-Y18 PolarHBondContact O-N 2.96Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.44Å; E15-V19 PolarHBondContact O-N 2.82Å |
| 16 | R | 83.5 | Confident | 73.2 | Confident | 187 Ų | 187 | 112.3 Ų | 112.3 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.6 | -43 | 174.8 | -169.8 | 178.5 | -174.6 | -170.9 | 2 | 113.6 | S14 K20 | S14-R16 PolarHBondContact O-N 2.75Å; R16-K20 WeakPolarHBondContact O-CG 3.29Å; R16-K20 PolarHBondContact O-N 2.98Å; R16-K20 VanDerWaalsContact O-N 3.14Å |
| 17 | E | 82.9 | Confident | 75.4 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.1 | -38.6 | 176 | -76.8 | 167.1 | 155.6 | 0 | 0 | 111.7 | I13 S14 V19 K20 L21 | I13-E17 HydrophobicContact CB-CB 4.22Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 VanDerWaalsContact N-OE2 3.16Å; S14-E17 WeakPolarHBondContact O-CA 3.46Å; S14-E17 WeakPolarHBondContact O-CB 3.35Å; S14-E17 PolarHBondContact O-N 3.39Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.36Å; S14-E17 PolarHBondContact OG-N 2.8Å; S14-E17 PolarHBondContact OG-OE2 2.7Å; S14-E17 VanDerWaalsContact OG-OE2 3.07Å; E17-V19 PolarHBondContact O-N 2.73Å; E17-K20 PolarHBondContact O-N 2.92Å; E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 PolarHBondContact O-N 2.74Å |
| 18 | Y | 83.2 | Confident | 77.7 | Confident | 116 Ų | 116 | 110.7 Ų | 110.7 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.7 | -48.3 | 173.2 | 179.9 | -98.2 | 0 | 0 | 0 | 111.3 | I13 S14 E15 K20 L21 Q22 | I13-Y18 HydrophobicContact CD1-CD2 3.61Å; I13-Y18 HydrophobicContact CD1-CG 4.23Å; S14-Y18 PolarHBondContact O-N 3.08Å; E15-Y18 WeakPolarHBondContact O-CB 3.45Å; E15-Y18 PolarHBondContact O-N 2.96Å; Y18-K20 PolarHBondContact O-N 3.12Å; Y18-L21 PolarHBondContact O-N 2.6Å; Y18-Q22 HydrophobicContact CD1-CG 4.03Å; Y18-Q22 HydrophobicContact CE1-CG 3.67Å; Y18-Q22 HydrophobicContact CE2-CG 4.33Å; Y18-Q22 HydrophobicContact CG-CG 4.48Å; Y18-Q22 WeakPolarHBondContact O-CG 3.36Å; Y18-Q22 PolarHBondContact O-N 3.01Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å |
| 19 | V | 85 | Confident | 79.8 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.5 | -44.7 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | E15 E17 L21 Q22 Y23 | E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.44Å; E15-V19 PolarHBondContact O-N 2.82Å; E17-V19 PolarHBondContact O-N 2.73Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.92Å; V19-Q22 PolarHBondContact O-N 2.68Å; V19-Y23 WeakPolarHBondContact O-CB 3.22Å; V19-Y23 PolarHBondContact O-N 3.04Å |
| 20 | K | 88.1 | Confident | 81.7 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 175.6 | -75.3 | 177.5 | 179.6 | -178 | 0 | 112 | R16 E17 Y18 Y23 G24 | R16-K20 WeakPolarHBondContact O-CG 3.29Å; R16-K20 PolarHBondContact O-N 2.98Å; R16-K20 VanDerWaalsContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 2.92Å; Y18-K20 PolarHBondContact O-N 3.12Å; K20-Y23 PolarHBondContact O-N 3.39Å; K20-G24 PolarHBondContact O-N 3.23Å |
| 21 | L | 85.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | -178.7 | -163.7 | 146.2 | 0 | 0 | 0 | 111.1 | E17 Y18 V19 G24 R25 | E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 PolarHBondContact O-N 2.74Å; Y18-L21 PolarHBondContact O-N 2.6Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.92Å; L21-G24 PolarHBondContact O-N 2.86Å; L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 VanDerWaalsContact CD2-NH1 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.08Å; L21-R25 PolarHBondContact O-N 3.41Å |
| 22 | Q | 87.5 | Confident | 84.9 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 171.6 | -68 | -60.4 | 2.7 | 0 | 0 | 112.4 | Y18 V19 R25 K26 | Y18-Q22 HydrophobicContact CD1-CG 4.03Å; Y18-Q22 HydrophobicContact CE1-CG 3.67Å; Y18-Q22 HydrophobicContact CE2-CG 4.33Å; Y18-Q22 HydrophobicContact CG-CG 4.48Å; Y18-Q22 WeakPolarHBondContact O-CG 3.36Å; Y18-Q22 PolarHBondContact O-N 3.01Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å; V19-Q22 PolarHBondContact O-N 2.68Å; Q22-R25 PolarHBondContact O-N 2.95Å; Q22-R25 VanDerWaalsContact OE1-NE 3.16Å; Q22-K26 PolarHBondContact O-N 2.72Å |
| 23 | Y | 90.8 | Very high | 86.2 | Confident | 158 Ų | 158 | 99.2 Ų | 99.2 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 176.7 | -169.7 | -102.5 | 0 | 0 | 0 | 111.9 | V19 K20 R25 K26 I27 | V19-Y23 WeakPolarHBondContact O-CB 3.22Å; V19-Y23 PolarHBondContact O-N 3.04Å; K20-Y23 PolarHBondContact O-N 3.39Å; Y23-R25 PolarHBondContact O-N 3.31Å; Y23-K26 PolarHBondContact O-N 2.74Å; Y23-I27 HydrophobicContact CD1-CD1 3.59Å; Y23-I27 HydrophobicContact CD1-CG1 4.39Å; Y23-I27 HydrophobicContact CE1-CD1 3.31Å; Y23-I27 HydrophobicContact CE1-CG1 4.15Å; Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 2.95Å |
| 24 | G | 89 | Confident | 86.7 | Confident | 38 Ų | 38 | 101.1 Ų | 101.1 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K20 L21 K26 I27 A28 | K20-G24 PolarHBondContact O-N 3.23Å; L21-G24 PolarHBondContact O-N 2.86Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 2.59Å; G24-I27 PolarHBondContact O-N 2.85Å; G24-A28 PolarHBondContact O-N 2.75Å |
| 25 | R | 89.7 | Confident | 86.8 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 173.8 | -77.6 | -165.7 | -81.9 | -126.8 | -0.2 | 112.2 | L21 Q22 Y23 A28 Q29 | L21-R25 HydrophobicContact CD2-CG 4.43Å; L21-R25 VanDerWaalsContact CD2-NH1 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.08Å; L21-R25 PolarHBondContact O-N 3.41Å; Q22-R25 PolarHBondContact O-N 2.95Å; Q22-R25 VanDerWaalsContact OE1-NE 3.16Å; Y23-R25 PolarHBondContact O-N 3.31Å; R25-A28 PolarHBondContact O-N 2.69Å; R25-Q29 WeakPolarHBondContact O-CG 3.13Å; R25-Q29 PolarHBondContact O-N 2.99Å |
| 26 | K | 93.4 | Very high | 86.8 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.9 | -176.7 | 177.8 | -177.8 | -62 | 0 | 111.8 | Q22 Y23 G24 A28 Q29 D30 | Q22-K26 PolarHBondContact O-N 2.72Å; Y23-K26 PolarHBondContact O-N 2.74Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 2.59Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 2.67Å; K26-Q29 PolarHBondContact O-N 3.06Å; K26-D30 IonicContact NZ-OD2 2.67Å; K26-D30 PolarHBondContact NZ-OD2 3.04Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.26Å; K26-D30 PolarHBondContact O-N 3.31Å |
| 27 | I | 90.4 | Very high | 86.4 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.5 | -67.5 | 165.1 | 0 | 0 | 0 | 111 | Y23 G24 Q29 D30 A31 | Y23-I27 HydrophobicContact CD1-CD1 3.59Å; Y23-I27 HydrophobicContact CD1-CG1 4.39Å; Y23-I27 HydrophobicContact CE1-CD1 3.31Å; Y23-I27 HydrophobicContact CE1-CG1 4.15Å; Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 2.95Å; G24-I27 PolarHBondContact O-N 2.85Å; I27-Q29 VanDerWaalsContact C-N 3.31Å; I27-Q29 PolarHBondContact O-N 3.49Å; I27-D30 PolarHBondContact O-N 3.13Å; I27-A31 VanDerWaalsContact O-CB 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.38Å |
| 28 | A | 90.6 | Very high | 86 | Confident | 62 Ų | 62 | 98 Ų | 98 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G24 R25 K26 C32 | G24-A28 PolarHBondContact O-N 2.75Å; R25-A28 PolarHBondContact O-N 2.69Å; K26-A28 VanDerWaalsContact C-N 3.33Å; K26-A28 PolarHBondContact O-N 2.67Å; A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 2.89Å |
| 29 | Q | 91.7 | Very high | 85.3 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -47.3 | 174.6 | -74.1 | 175.9 | -14.1 | 0 | 0 | 112 | R25 K26 I27 A31 C32 L33 | R25-Q29 WeakPolarHBondContact O-CG 3.13Å; R25-Q29 PolarHBondContact O-N 2.99Å; K26-Q29 PolarHBondContact O-N 3.06Å; I27-Q29 VanDerWaalsContact C-N 3.31Å; I27-Q29 PolarHBondContact O-N 3.49Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.83Å; Q29-C32 PolarHBondContact O-N 2.71Å; Q29-L33 PolarHBondContact O-N 3.35Å |
| 30 | D | 90.3 | Very high | 84.4 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.6 | -69.3 | -17.6 | 0 | 0 | 0 | 110.6 | K26 I27 L33 L34 | K26-D30 IonicContact NZ-OD2 2.67Å; K26-D30 PolarHBondContact NZ-OD2 3.04Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.26Å; K26-D30 PolarHBondContact O-N 3.31Å; I27-D30 PolarHBondContact O-N 3.13Å; D30-L33 PolarHBondContact O-N 2.94Å; D30-L34 WeakPolarHBondContact O-CG 3.5Å; D30-L34 PolarHBondContact O-N 3.46Å |
| 31 | A | 88 | Confident | 83 | Confident | 53 Ų | 53 | 97.2 Ų | 97.2 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I27 Q29 L34 A35 | I27-A31 VanDerWaalsContact O-CB 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.38Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.83Å; A31-L34 PolarHBondContact O-N 3.25Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.42Å |
| 32 | C | 86.4 | Confident | 81.7 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.7 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | A28 Q29 L34 A35 T36 | A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 2.89Å; Q29-C32 PolarHBondContact O-N 2.71Å; C32-L34 PolarHBondContact O-N 3.27Å; C32-A35 PolarHBondContact O-N 3.19Å; C32-T36 WeakPolarHBondContact O-CG2 3.37Å; C32-T36 PolarHBondContact O-N 3.47Å; C32-T36 PolarHBondContact O-OG1 3.45Å |
| 33 | L | 87.7 | Confident | 80.1 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.9 | -48.6 | 176.1 | -178.2 | 64.1 | 0 | 0 | 0 | 111.2 | Q29 D30 A35 T36 M37 | Q29-L33 PolarHBondContact O-N 3.35Å; D30-L33 PolarHBondContact O-N 2.94Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 2.95Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-N 3.36Å; L33-T36 VanDerWaalsContact O-N 3.13Å; L33-T36 PolarHBondContact O-OG1 2.93Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.38Å |
| 34 | L | 79.2 | Confident | 78.2 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.2 | -38.1 | 176.2 | -72.8 | 171.4 | 0 | 0 | 0 | 112.6 | D30 A31 C32 T36 M37 | D30-L34 WeakPolarHBondContact O-CG 3.5Å; D30-L34 PolarHBondContact O-N 3.46Å; A31-L34 PolarHBondContact O-N 3.25Å; C32-L34 PolarHBondContact O-N 3.27Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 2.97Å; L34-M37 HydrophobicContact CD2-CE 3.96Å; L34-M37 HydrophobicContact CD2-SD 3.91Å; L34-M37 WeakPolarHBondContact O-CB 3.42Å; L34-M37 PolarHBondContact O-N 3.02Å |
| 35 | A | 79.7 | Confident | 76.1 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -29.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A31 C32 L33 | A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.42Å; C32-A35 PolarHBondContact O-N 3.19Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 2.95Å |
| 36 | T | 79.2 | Confident | 74 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.3 | -16.5 | 175 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | C32 L33 L34 K38 | C32-T36 WeakPolarHBondContact O-CG2 3.37Å; C32-T36 PolarHBondContact O-N 3.47Å; C32-T36 PolarHBondContact O-OG1 3.45Å; L33-T36 WeakPolarHBondContact CA-OG1 3.46Å; L33-T36 PolarHBondContact O-N 3.36Å; L33-T36 VanDerWaalsContact O-N 3.13Å; L33-T36 PolarHBondContact O-OG1 2.93Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 2.97Å; T36-K38 PolarHBondContact O-N 2.88Å |
| 37 | M | 75.4 | Confident | 72 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 53% | 0.527 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -65.8 | 128.2 | 172.5 | -75.5 | 173.4 | 24.6 | 0 | 0 | 109 | L33 L34 T39 | L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.38Å; L34-M37 HydrophobicContact CD2-CE 3.96Å; L34-M37 HydrophobicContact CD2-SD 3.91Å; L34-M37 WeakPolarHBondContact O-CB 3.42Å; L34-M37 PolarHBondContact O-N 3.02Å; M37-T39 PolarHBondContact O-N 3.44Å |
| 38 | K | 74.5 | Confident | 69.8 | Low | 156 Ų | 156 | 104.8 Ų | 104.8 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 120.7 | 173 | -172 | 179.4 | 175.2 | -170.9 | 0 | 107.7 | T36 P40 D41 | T36-K38 PolarHBondContact O-N 2.88Å; K38-P40 VanDerWaalsContact O-N 3.13Å; K38-D41 WeakPolarHBondContact CE-OD2 3.35Å; K38-D41 IonicContact NZ-OD2 2.83Å; K38-D41 PolarHBondContact NZ-OD2 3.48Å |
| 39 | T | 68.2 | Low | 67.3 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 67% | 0.669 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 124.9 | 169.2 | 47.6 | 0 | 0 | 0 | 0 | 106.2 | M37 D41 | M37-T39 PolarHBondContact O-N 3.44Å; T39-D41 PolarHBondContact O-N 3.35Å |
| 40 | P | 66.3 | Low | 65 | Low | 86 Ų | 86 | 111.5 Ų | 111.5 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 124.6 | 177.5 | 17.7 | -28.5 | 0 | 0 | 0 | 106.7 | K38 W42 | K38-P40 VanDerWaalsContact O-N 3.13Å; P40-W42 HydrophobicContact CG-CZ2 4.25Å; P40-W42 PolarHBondContact O-N 3.01Å |
| 41 | D | 59.3 | Low | 62.7 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | trans | -64.9 | 83.8 | 166.8 | -65.6 | -32.4 | 0 | 0 | 0 | 103.7 | K38 T39 S43 | K38-D41 WeakPolarHBondContact CE-OD2 3.35Å; K38-D41 IonicContact NZ-OD2 2.83Å; K38-D41 PolarHBondContact NZ-OD2 3.48Å; T39-D41 PolarHBondContact O-N 3.35Å; D41-S43 PolarHBondContact O-N 3.01Å | ||
| 42 | W | 57.2 | Low | 60.4 | Low | 210 Ų | 210 | 117.2 Ų | 117.2 | 80% | 0.795 | 65% | 0.654 | S | S | * | * | trans | -58 | 97.4 | 154.4 | -57.7 | 100.5 | 0 | 0 | 0 | 101.2 | P40 H44 | P40-W42 HydrophobicContact CG-CZ2 4.25Å; P40-W42 PolarHBondContact O-N 3.01Å; W42-H44 VanDerWaalsContact C-N 3.35Å; W42-H44 PolarHBondContact O-N 3.48Å | ||
| 43 | S | 55.2 | Low | 58.4 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | trans | -42.3 | 118.9 | 162.3 | 53.8 | 0 | 0 | 0 | 0 | 102.7 | D41 G45 | D41-S43 PolarHBondContact O-N 3.01Å; S43-G45 PolarHBondContact O-N 3.23Å | ||
| 44 | H | 49.9 | Very low | 56.3 | Low | 195 Ų | 195 | 122.3 Ų | 122.3 | 90% | 0.903 | 67% | 0.672 | S | S | * | * | trans | -62.1 | 69.6 | 159.1 | -70.9 | -97.1 | 0 | 0 | 0 | 103.7 | W42 S46 | W42-H44 VanDerWaalsContact C-N 3.35Å; W42-H44 PolarHBondContact O-N 3.48Å; H44-S46 PolarHBondContact O-N 3.43Å | ||
| 45 | G | 46.5 | Very low | 54.9 | Low | 41 Ų | 41 | 123.5 Ų | 123.5 | 42% | 0.423 | 68% | 0.677 | S | S | . | * | trans | -55.9 | 109.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 99.8 | S43 P47 | S43-G45 PolarHBondContact O-N 3.23Å; G45-P47 VanDerWaalsContact O-N 3.15Å | ||
| 46 | S | 45.4 | Very low | 53.4 | Low | 82 Ų | 82 | 122.2 Ų | 122.2 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | trans | -39.1 | 129.7 | 169.2 | -164.5 | 0 | 0 | 0 | 0 | 105.6 | H44 A48 | H44-S46 PolarHBondContact O-N 3.43Å; S46-A48 CarbonylContact O-C 3.19Å; S46-A48 PolarHBondContact O-N 2.87Å | ||
| 47 | P | 51.3 | Low | 51.9 | Low | 141 Ų | 141 | 121 Ų | 121 | 92% | 0.916 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -58.4 | -3.7 | -175.5 | 18.3 | -29.1 | 0 | 0 | 0 | 113.1 | G45 | G45-P47 VanDerWaalsContact O-N 3.15Š|
| 48 | A | 42.9 | Very low | 50.8 | Low | 52 Ų | 52 | 117.8 Ų | 117.8 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -95.3 | 121.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S46 | S46-A48 CarbonylContact O-C 3.19Å; S46-A48 PolarHBondContact O-N 2.87Å |
| 49 | F | 38.8 | Very low | 49.5 | Very low | 200 Ų | 200 | 112.8 Ų | 112.8 | 88% | 0.877 | 63% | 0.625 | S | S | * | * | trans | 94.7 | 32.4 | 168.1 | -52.8 | -82.4 | 0 | 0 | 0 | 118.6 | G51 | F49-G51 PolarHBondContact O-N 3.33Š| ||
| 50 | I | 43.1 | Very low | 48.7 | Very low | 137 Ų | 137 | 111.2 Ų | 111.2 | 70% | 0.703 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -67.2 | 96.9 | 136.5 | -61.1 | 173.7 | 0 | 0 | 0 | 104.4 | K52 | I50-K52 VanDerWaalsContact C-N 3.35Å; I50-K52 PolarHBondContact O-N 2.9Å |
| 51 | G | 41.5 | Very low | 48 | Very low | 49 Ų | 49 | 110.2 Ų | 110.2 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | trans | -55.5 | 97.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F49 H53 | F49-G51 PolarHBondContact O-N 3.33Å; G51-H53 PolarHBondContact O-CD2 2.98Å; G51-H53 PolarHBondContact O-N 3.32Å | ||
| 52 | K | 40.6 | Very low | 47.7 | Very low | 191 Ų | 191 | 109.9 Ų | 109.9 | 83% | 0.83 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 33.6 | 18.8 | 162.6 | -71.5 | -174.1 | 177.5 | -179.5 | 0 | 119.2 | I50 N54 | I50-K52 VanDerWaalsContact C-N 3.35Å; I50-K52 PolarHBondContact O-N 2.9Å; K52-N54 PolarHBondContact O-N 2.98Å |
| 53 | H | 44.8 | Very low | 47.5 | Very low | 150 Ų | 150 | 105 Ų | 105 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | trans | -80 | 85.4 | 161.9 | -63.9 | -65.1 | 0 | 0 | 0 | 104.2 | G51 I55 | G51-H53 PolarHBondContact O-CD2 2.98Å; G51-H53 PolarHBondContact O-N 3.32Å; H53-I55 HydrophobicContact CB-CG1 4.16Å; H53-I55 PolarHBondContact O-N 3.14Å | ||
| 54 | N | 42.5 | Very low | 47.4 | Very low | 143 Ų | 143 | 106.5 Ų | 106.5 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | trans | -58.5 | 77.8 | 162.9 | -70.4 | -30.7 | 0 | 0 | 0 | 106.7 | K52 V56 | K52-N54 PolarHBondContact O-N 2.98Å; N54-V56 PolarHBondContact O-N 3.33Å | ||
| 55 | I | 50.2 | Low | 47.6 | Very low | 138 Ų | 138 | 100.6 Ų | 100.6 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -74.6 | 80 | 169.5 | -57.8 | 172.1 | 0 | 0 | 0 | 104.1 | H53 | H53-I55 HydrophobicContact CB-CG1 4.16Å; H53-I55 PolarHBondContact O-N 3.14Å | ||
| 56 | V | 48.9 | Very low | 47.7 | Very low | 59 Ų | 59 | 103.6 Ų | 103.6 | 36% | 0.358 | 61% | 0.608 | S | S | . | * | trans | -57.5 | 127.9 | 165.6 | -176.6 | 0 | 0 | 0 | 0 | 104.9 | N54 C58 P73 | N54-V56 PolarHBondContact O-N 3.33Å; V56-C58 PolarHBondContact O-N 3.31Å; V56-C58 PolarHBondContact O-SG 3.45Å; V56-P73 HydrophobicContact CB-CB 4.21Å; V56-P73 HydrophobicContact CG1-CB 3.73Å | ||
| 57 | P | 47.9 | Very low | 48.2 | Very low | 76 Ų | 76 | 105.6 Ų | 105.6 | 49% | 0.494 | 62% | 0.622 | S | S | . | * | trans | -52.3 | 138.5 | 175.7 | 18.8 | -28.4 | 0 | 0 | 0 | 107.9 | P73 Y74 | P57-P73 CarbonylContact O-C 3.36Å; P57-Y74 VanDerWaalsContact C-CD2 3.49Å; P57-Y74 HydrophobicContact CB-CD2 3.87Å; P57-Y74 HydrophobicContact CG-CD2 4.48Å; P57-Y74 WeakPolarHBondContact O-CB 3.46Å; P57-Y74 WeakPolarHBondContact O-CD2 3.33Å; P57-Y74 PolarHBondContact O-N 2.91Å | ||
| 58 | C | 50.9 | Low | 48.2 | Very low | 39 Ų | 39 | 102.5 Ų | 102.5 | 26% | 0.264 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.8 | -179.8 | -42.9 | 0 | 0 | 0 | 0 | 112.3 | V56 M71 Y72 Y74 | V56-C58 PolarHBondContact O-N 3.31Å; V56-C58 PolarHBondContact O-SG 3.45Å; C58-M71 HydrophobicContact CB-CB 4.42Å; C58-M71 HydrophobicContact CB-CE 3.5Å; C58-M71 VanDerWaalsContact CB-CE 3.5Å; C58-M71 HydrophobicContact CB-CG 3.13Å; C58-M71 HydrophobicContact CB-SD 4.07Å; C58-M71 WeakPolarHBondContact SG-CE 3.36Å; C58-M71 VanDerWaalsContact SG-CG 3.56Å; C58-Y72 CarbonylContact C-O 3.58Å; C58-Y72 WeakPolarHBondContact CA-O 3.41Å; C58-Y72 VanDerWaalsContact CB-O 3.29Å; C58-Y72 WeakPolarHBondContact CB-O 3.3Å; C58-Y74 VanDerWaalsContact C-CE2 3.43Å |
| 59 | T | 48.4 | Very low | 48.4 | Very low | 51 Ų | 51 | 105.9 Ų | 105.9 | 31% | 0.313 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.3 | 164.5 | -47.5 | 0 | 0 | 0 | 0 | 109 | T61 M71 Y72 Y74 | T59-T61 HydrophobicContact CG2-CG2 4.47Å; T59-M71 CarbonylContact O-C 3.6Å; T59-M71 WeakPolarHBondContact O-CA 3.47Å; T59-Y72 PolarHBondContact N-O 2.97Å; T59-Y72 PolarHBondContact O-N 3.33Å; T59-Y74 WeakPolarHBondContact OG1-CE1 3.41Å; T59-Y74 WeakPolarHBondContact OG1-CE2 3.28Å; T59-Y74 PolarHBondContact OG1-OH 3.31Å |
| 60 | V | 52 | Low | 49.1 | Very low | 76 Ų | 76 | 102 Ų | 102 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.4 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | L69 K70 M71 | V60-L69 HydrophobicContact CG1-CB 4.34Å; V60-L69 HydrophobicContact CG1-CD2 3.83Å; V60-K70 WeakPolarHBondContact CA-O 3.34Å; V60-M71 HydrophobicContact CG2-CB 4.39Å; V60-M71 HydrophobicContact CG2-CG 4.03Å; V60-M71 HydrophobicContact CG2-SD 4.31Å |
| 61 | T | 50.9 | Low | 49.3 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 119 | 168.4 | 60.9 | 0 | 0 | 0 | 0 | 109 | T59 K70 Y72 | T59-T61 HydrophobicContact CG2-CG2 4.47Å; T61-K70 PolarHBondContact N-O 3.34Å; T61-K70 PolarHBondContact O-N 2.86Å; T61-Y72 HydrophobicContact CG2-CD2 4.48Å; T61-Y72 HydrophobicContact CG2-CE2 4.36Å; T61-Y72 WeakPolarHBondContact OG1-CE2 3.49Å |
| 62 | T | 53.3 | Low | 49.7 | Very low | 110 Ų | 110 | 104.3 Ų | 104.3 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 114.8 | 165.2 | 41.3 | 0 | 0 | 0 | 0 | 108 | L69 | T62-L69 HydrophobicContact CG2-CD2 3.27Å |
| 63 | N | 51.9 | Low | 50.3 | Low | 108 Ų | 108 | 99.4 Ų | 99.4 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | trans | -81.6 | 118.5 | 168.5 | -166.4 | -11.6 | 0 | 0 | 0 | 107.7 | G65 N66 | N63-G65 PolarHBondContact O-N 3.42Å; N63-N66 PolarHBondContact O-N 2.93Å; N63-N66 VanDerWaalsContact O-O 3.05Å | ||
| 64 | S | 54.6 | Low | 50.3 | Low | 133 Ų | 133 | 98.4 Ų | 98.4 | 93% | 0.93 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 0.9 | -174.4 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||
| 65 | G | 53.3 | Low | 50.8 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 74% | 0.742 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -5.3 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | N63 | N63-G65 PolarHBondContact O-N 3.42Š|
| 66 | N | 49.3 | Very low | 50.4 | Low | 103 Ų | 103 | 95.4 Ų | 95.4 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -153 | 131.8 | 179.4 | -156.4 | -8.2 | 0 | 0 | 0 | 109.6 | N63 T68 | N63-N66 PolarHBondContact O-N 2.93Å; N63-N66 VanDerWaalsContact O-O 3.05Å; N66-T68 PolarHBondContact O-N 3.47Å |
| 67 | S | 55.3 | Low | 50 | Low | 125 Ų | 125 | 103.3 Ų | 103.3 | 87% | 0.874 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -68.6 | 17.4 | -173.1 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 68 | T | 51.6 | Low | 49.7 | Very low | 76 Ų | 76 | 103.2 Ų | 103.2 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | trans | -94.3 | 108.7 | 178.2 | 23.9 | 0 | 0 | 0 | 0 | 110.3 | N66 K70 | N66-T68 PolarHBondContact O-N 3.47Å; T68-K70 PolarHBondContact O-N 3.19Å | ||
| 69 | L | 46.8 | Very low | 49 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 121.2 | 168.7 | -68.5 | 170 | 0 | 0 | 0 | 109.1 | V60 T62 | V60-L69 HydrophobicContact CG1-CB 4.34Å; V60-L69 HydrophobicContact CG1-CD2 3.83Å; T62-L69 HydrophobicContact CG2-CD2 3.27Å |
| 70 | K | 53.2 | Low | 48.5 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.6 | 171.5 | -67.6 | -173.1 | 179.6 | -176.8 | 0 | 109.3 | V60 T61 T68 Y72 | V60-K70 WeakPolarHBondContact CA-O 3.34Å; T61-K70 PolarHBondContact N-O 3.34Å; T61-K70 PolarHBondContact O-N 2.86Å; T68-K70 PolarHBondContact O-N 3.19Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å |
| 71 | M | 47.3 | Very low | 47.6 | Very low | 113 Ų | 113 | 119 Ų | 119 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111 | 119.6 | -177.2 | -170.3 | 164.4 | 179 | 0 | 0 | 108.4 | C58 T59 V60 | C58-M71 HydrophobicContact CB-CB 4.42Å; C58-M71 HydrophobicContact CB-CE 3.5Å; C58-M71 VanDerWaalsContact CB-CE 3.5Å; C58-M71 HydrophobicContact CB-CG 3.13Å; C58-M71 HydrophobicContact CB-SD 4.07Å; C58-M71 WeakPolarHBondContact SG-CE 3.36Å; C58-M71 VanDerWaalsContact SG-CG 3.56Å; T59-M71 CarbonylContact O-C 3.6Å; T59-M71 WeakPolarHBondContact O-CA 3.47Å; V60-M71 HydrophobicContact CG2-CB 4.39Å; V60-M71 HydrophobicContact CG2-CG 4.03Å; V60-M71 HydrophobicContact CG2-SD 4.31Å |
| 72 | Y | 51.3 | Low | 46.9 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 47% | 0.471 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.9 | -179.5 | -61.3 | -81 | 0 | 0 | 0 | 109.6 | C58 T59 T61 K70 Y74 | C58-Y72 CarbonylContact C-O 3.58Å; C58-Y72 WeakPolarHBondContact CA-O 3.41Å; C58-Y72 VanDerWaalsContact CB-O 3.29Å; C58-Y72 WeakPolarHBondContact CB-O 3.3Å; T59-Y72 PolarHBondContact N-O 2.97Å; T59-Y72 PolarHBondContact O-N 3.33Å; T61-Y72 HydrophobicContact CG2-CD2 4.48Å; T61-Y72 HydrophobicContact CG2-CE2 4.36Å; T61-Y72 WeakPolarHBondContact OG1-CE2 3.49Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å; Y72-Y74 PolarHBondContact O-N 2.95Å |
| 73 | P | 52.9 | Low | 46.1 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.3 | 134.8 | 176.5 | 25 | -31.7 | 0 | 0 | 0 | 110.2 | V56 P57 S75 | V56-P73 HydrophobicContact CB-CB 4.21Å; V56-P73 HydrophobicContact CG1-CB 3.73Å; P57-P73 CarbonylContact O-C 3.36Å; P73-S75 PolarHBondContact O-N 3.07Å; P73-S75 VanDerWaalsContact O-N 3.12Å |
| 74 | Y | 44 | Very low | 45.4 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 51% | 0.51 | 69% | 0.692 | S | S | . | * | trans | -62.6 | 113.7 | 165.1 | -78.8 | -84.9 | 0 | 0 | 0 | 106.7 | P57 C58 T59 Y72 V76 | P57-Y74 VanDerWaalsContact C-CD2 3.49Å; P57-Y74 HydrophobicContact CB-CD2 3.87Å; P57-Y74 HydrophobicContact CG-CD2 4.48Å; P57-Y74 WeakPolarHBondContact O-CB 3.46Å; P57-Y74 WeakPolarHBondContact O-CD2 3.33Å; P57-Y74 PolarHBondContact O-N 2.91Å; C58-Y74 VanDerWaalsContact C-CE2 3.43Å; T59-Y74 WeakPolarHBondContact OG1-CE1 3.41Å; T59-Y74 WeakPolarHBondContact OG1-CE2 3.28Å; T59-Y74 PolarHBondContact OG1-OH 3.31Å; Y72-Y74 PolarHBondContact O-N 2.95Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 3.26Å | ||
| 75 | S | 52.8 | Low | 44.4 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | -62.1 | 102.9 | 164.8 | 53.2 | 0 | 0 | 0 | 0 | 107 | P73 Y77 | P73-S75 PolarHBondContact O-N 3.07Å; P73-S75 VanDerWaalsContact O-N 3.12Å; S75-Y77 PolarHBondContact O-N 2.83Å | ||
| 76 | V | 43.1 | Very low | 43.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | -56.3 | 113.9 | 165.9 | -172.2 | 0 | 0 | 0 | 0 | 104.6 | Y74 S78 | Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 3.26Å; V76-S78 PolarHBondContact O-N 3.01Å | ||
| 77 | Y | 40.5 | Very low | 43 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 88% | 0.878 | 70% | 0.703 | S | S | * | * | trans | -65.5 | 80.6 | 173.8 | -138.3 | -91.3 | 0 | 0 | 0 | 105.7 | S75 S79 | S75-Y77 PolarHBondContact O-N 2.83Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.47Å | ||
| 78 | S | 40.5 | Very low | 42 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 52% | 0.524 | 70% | 0.701 | S | S | . | * | trans | -62.8 | 107.3 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 103.8 | V76 F80 | V76-S78 PolarHBondContact O-N 3.01Å; S78-F80 VanDerWaalsContact O-CD2 3.32Å; S78-F80 WeakPolarHBondContact O-CD2 3.47Å; S78-F80 PolarHBondContact O-N 2.93Å | ||
| 79 | S | 36.8 | Very low | 41.4 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -63.6 | 85.2 | 172.7 | 37.3 | 0 | 0 | 0 | 0 | 106.4 | Y77 R81 | Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.47Å; S79-R81 PolarHBondContact O-N 3.16Å | ||
| 80 | F | 37.3 | Very low | 40.6 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -62.7 | 93.5 | 169 | -85 | -88.1 | 0 | 0 | 0 | 106.4 | S78 | S78-F80 VanDerWaalsContact O-CD2 3.32Å; S78-F80 WeakPolarHBondContact O-CD2 3.47Å; S78-F80 PolarHBondContact O-N 2.93Å | ||
| 81 | R | 32.1 | Very low | 39.7 | Very low | 219 Ų | 219 | 143.9 Ų | 143.9 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -55.3 | 136.9 | 159.6 | -72.3 | -169.1 | -175.9 | -133.4 | 3.8 | 107.2 | S79 L83 | S79-R81 PolarHBondContact O-N 3.16Å; R81-L83 PolarHBondContact O-N 3.28Å | ||
| 82 | P | 37.7 | Very low | 39.1 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 91.8 | -175.2 | 30.9 | -32 | 0 | 0 | 0 | 108.7 | ||||
| 83 | L | 36.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -103.5 | 110.4 | 153.8 | -98.3 | 140.7 | 0 | 0 | 0 | 105.7 | R81 T85 | R81-L83 PolarHBondContact O-N 3.28Å; L83-T85 PolarHBondContact O-N 2.58Å | ||
| 84 | E | 36.5 | Very low | 37.6 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -28 | 104.3 | 179.5 | -62.9 | 177.8 | 134.2 | 0 | 0 | 113 | ||
| 85 | T | 34.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -172.9 | 121.2 | 145 | 16.2 | 0 | 0 | 0 | 0 | 109.3 | L83 F87 | L83-T85 PolarHBondContact O-N 2.58Å; T85-F87 PolarHBondContact O-N 3.19Å | ||
| 86 | K | 36.9 | Very low | 36 | Very low | 209 Ų | 209 | 155.6 Ų | 155.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 92.3 | 178.7 | -62.4 | -178.9 | 179.3 | -178.4 | 0 | 110.1 | ||||
| 87 | F | 34.9 | Very low | 35.4 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | trans | -134.3 | 102 | 165.2 | -84.8 | -82.5 | 0 | 0 | 0 | 110.2 | T85 P89 | T85-F87 PolarHBondContact O-N 3.19Å; F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 2.91Å | ||
| 88 | H | 34.2 | Very low | 35.4 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -55 | 116.2 | 167 | -100 | -90.7 | 0 | 0 | 0 | 109.5 | C90 | H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.9Å | ||
| 89 | P | 38.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 164.4 Ų | 164.4 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | trans | -78.8 | 88.2 | 172.4 | 29.9 | -28.5 | 0 | 0 | 0 | 108.6 | F87 L91 | F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 2.91Å; P89-L91 PolarHBondContact O-N 2.71Å | ||
| 90 | C | 29.8 | Very low | 35 | Very low | 107 Ų | 107 | 167.4 Ų | 167.4 | 72% | 0.723 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 102.9 | 168.7 | -88.1 | 0 | 0 | 0 | 0 | 109.8 | H88 V92 | H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.9Å; C90-V92 PolarHBondContact O-N 3.26Å; C90-V92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | L | 35.5 | Very low | 34.9 | Very low | 172 Ų | 172 | 167.1 Ų | 167.1 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | -13.3 | 97 | 153.7 | -67.7 | 156.7 | 0 | 0 | 0 | 114.3 | P89 R93 | P89-L91 PolarHBondContact O-N 2.71Å; L91-R93 PolarHBondContact O-N 2.85Å | ||
| 92 | V | 34.3 | Very low | 35 | Very low | 124 Ų | 124 | 164.2 Ų | 164.2 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -84.3 | 102.3 | 166.6 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | C90 Q94 | C90-V92 PolarHBondContact O-N 3.26Å; C90-V92 VanDerWaalsContact O-N 3.1Å; V92-Q94 PolarHBondContact O-N 3Å; V92-Q94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | R | 35.2 | Very low | 34.9 | Very low | 228 Ų | 228 | 166.1 Ų | 166.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -52.5 | 107.3 | 164.5 | -82.4 | 178.7 | 168.8 | -170.5 | -1.9 | 108.9 | L91 | L91-R93 PolarHBondContact O-N 2.85Š| ||
| 94 | Q | 37.6 | Very low | 34.8 | Very low | 169 Ų | 169 | 166.6 Ų | 166.6 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -109.1 | 105.8 | 159 | -87.4 | -177.4 | -7.1 | 0 | 0 | 108.2 | V92 C96 | V92-Q94 PolarHBondContact O-N 3Å; V92-Q94 VanDerWaalsContact O-N 3.09Å; Q94-C96 PolarHBondContact O-N 2.99Å; Q94-C96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | E | 33.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 165.1 Ų | 165.1 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | trans | -69.9 | 98.5 | 170.9 | -69 | -178.7 | 164.2 | 0 | 0 | 108.4 | R97 | E95-R97 PolarHBondContact O-N 3.02Š| ||
| 96 | C | 30 | Very low | 34.7 | Very low | 118 Ų | 118 | 168.2 Ų | 168.2 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -71.6 | 100 | 169.9 | -69.6 | 0 | 0 | 0 | 0 | 108.7 | Q94 | Q94-C96 PolarHBondContact O-N 2.99Å; Q94-C96 VanDerWaalsContact O-N 3.15Å | ||
| 97 | R | 30.4 | Very low | 34.5 | Very low | 218 Ų | 218 | 165.1 Ų | 165.1 | 82% | 0.823 | 83% | 0.825 | S | S | * | * | trans | -72.4 | 124.6 | 166.5 | -79.6 | -174.9 | 178.2 | -179.8 | -0.7 | 109.1 | E95 | E95-R97 PolarHBondContact O-N 3.02Š| ||
| 98 | I | 39.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -82 | 112.3 | 167.7 | -59.3 | 169.4 | 0 | 0 | 0 | 105.8 | ||||
| 99 | N | 34.9 | Very low | 34.5 | Very low | 224 Ų | 224 | 162.2 Ų | 162.2 | 100% | 1.198 | 83% | 0.826 | S | S | * | * | trans | -85.5 | 0 | 161.4 | -79.7 | -15.7 | 0 | 0 | 0 | 109 |
Retrieved 99 of 99 residues in 81.8 ms
(Link to these results)