| 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 | 51.7 | Low | 77.2 | Confident | 237 Ų | 237 | 138 Ų | 138 | 100% | 1.167 | 66% | 0.664 | S | S | * | * | 0 | 118.9 | 0 | -84.7 | 178.1 | 171.1 | 0 | 0 | 108 | |||||
| 2 | T | 59.2 | Low | 78.4 | Confident | 93 Ų | 93 | 138.3 Ų | 138.3 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | trans | -89 | 130.6 | -172 | -10 | 0 | 0 | 0 | 0 | 108.5 | K4 D5 | T2-K4 PolarHBondContact O-N 3.06Å; T2-D5 PolarHBondContact O-N 3.13Å | ||
| 3 | I | 63 | Low | 79.6 | Confident | 142 Ų | 142 | 133.2 Ų | 133.2 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -11.5 | -174 | -58 | 156.1 | 0 | 0 | 0 | 113.3 | P6 | I3-P6 VanDerWaalsContact O-CD 3.32Å; I3-P6 WeakPolarHBondContact O-CD 3.23Å; I3-P6 VanDerWaalsContact O-CG 3.32Å; I3-P6 WeakPolarHBondContact O-CG 3.48Å |
| 4 | K | 68.2 | Low | 80.7 | Confident | 163 Ų | 163 | 128.4 Ų | 128.4 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74 | -25.8 | 176.2 | -61.1 | -177.3 | 179.3 | -176.3 | 0 | 113.8 | T2 K8 | T2-K4 PolarHBondContact O-N 3.06Å; K4-K8 WeakPolarHBondContact O-CB 3.49Å; K4-K8 PolarHBondContact O-N 3.38Å |
| 5 | D | 78.3 | Confident | 81.6 | Confident | 94 Ų | 94 | 122.5 Ų | 122.5 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.1 | -47.4 | -177.6 | -60.7 | -33.9 | 0 | 0 | 0 | 113.1 | T2 I7 K8 W9 | T2-D5 PolarHBondContact O-N 3.13Å; D5-I7 PolarHBondContact O-N 3.36Å; D5-K8 PolarHBondContact O-N 2.98Å; D5-W9 WeakPolarHBondContact O-CB 3.28Å; D5-W9 PolarHBondContact O-N 3.23Å |
| 6 | P | 81.6 | Confident | 82.6 | Confident | 81 Ų | 81 | 121.4 Ų | 121.4 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.9 | -34.4 | 177.5 | 24.8 | -35.1 | 0 | 0 | 0 | 113.5 | I3 W9 N10 | I3-P6 VanDerWaalsContact O-CD 3.32Å; I3-P6 WeakPolarHBondContact O-CD 3.23Å; I3-P6 VanDerWaalsContact O-CG 3.32Å; I3-P6 WeakPolarHBondContact O-CG 3.48Å; P6-W9 PolarHBondContact O-N 2.84Å; P6-N10 WeakPolarHBondContact O-CB 3.35Å; P6-N10 PolarHBondContact O-N 3.42Å |
| 7 | I | 86.1 | Confident | 83.4 | Confident | 114 Ų | 114 | 124.6 Ų | 124.6 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.1 | -44.1 | 178.4 | -65.4 | 164.9 | 0 | 0 | 0 | 110.3 | D5 W9 N10 Y11 | D5-I7 PolarHBondContact O-N 3.36Å; I7-W9 VanDerWaalsContact C-N 3.29Å; I7-W9 PolarHBondContact O-N 3.47Å; I7-N10 PolarHBondContact O-N 3.5Å; I7-Y11 PolarHBondContact O-N 2.85Å |
| 8 | K | 87.1 | Confident | 84.1 | Confident | 124 Ų | 124 | 120.7 Ų | 120.7 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.5 | -36.4 | 176.3 | -170.5 | 176.7 | -176.8 | -179.5 | 0 | 111.8 | K4 D5 R12 | K4-K8 WeakPolarHBondContact O-CB 3.49Å; K4-K8 PolarHBondContact O-N 3.38Å; D5-K8 PolarHBondContact O-N 2.98Å; K8-R12 WeakPolarHBondContact O-CG 3.39Å; K8-R12 PolarHBondContact O-N 2.96Å |
| 9 | W | 89.3 | Confident | 84.8 | Confident | 178 Ų | 178 | 120.7 Ų | 120.7 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -47.8 | 174 | -177.6 | -104.7 | 0 | 0 | 0 | 112 | D5 P6 I7 Y11 R12 V13 | D5-W9 WeakPolarHBondContact O-CB 3.28Å; D5-W9 PolarHBondContact O-N 3.23Å; P6-W9 PolarHBondContact O-N 2.84Å; I7-W9 VanDerWaalsContact C-N 3.29Å; I7-W9 PolarHBondContact O-N 3.47Å; W9-Y11 VanDerWaalsContact C-N 3.33Å; W9-Y11 PolarHBondContact O-N 2.89Å; W9-R12 PolarHBondContact O-N 3.15Å; W9-V13 HydrophobicContact CD2-CG2 4.25Å; W9-V13 HydrophobicContact CG-CG2 4.5Å; W9-V13 HydrophobicContact CZ2-CG2 4.1Å; W9-V13 WeakPolarHBondContact O-CG2 3.43Å; W9-V13 PolarHBondContact O-N 2.87Å |
| 10 | N | 90.9 | Very high | 85.4 | Confident | 111 Ų | 111 | 116.1 Ų | 116.1 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57.4 | -46.3 | 178.1 | -172.1 | -51.6 | 0 | 0 | 0 | 111.4 | P6 I7 R12 V13 S14 | P6-N10 WeakPolarHBondContact O-CB 3.35Å; P6-N10 PolarHBondContact O-N 3.42Å; I7-N10 PolarHBondContact O-N 3.5Å; N10-R12 VanDerWaalsContact C-N 3.34Å; N10-R12 PolarHBondContact O-N 3.2Å; N10-V13 PolarHBondContact O-N 3.48Å; N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.4Å; N10-S14 PolarHBondContact O-N 3.48Å |
| 11 | Y | 93.6 | Very high | 85.9 | Confident | 181 Ų | 181 | 113.2 Ų | 113.2 | 71% | 0.71 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.4 | -41.8 | 178.8 | -170 | -96.9 | 0 | 0 | 0 | 112.8 | I7 W9 S14 A15 | I7-Y11 PolarHBondContact O-N 2.85Å; W9-Y11 VanDerWaalsContact C-N 3.33Å; W9-Y11 PolarHBondContact O-N 2.89Å; Y11-S14 PolarHBondContact O-N 3.37Å; Y11-A15 WeakPolarHBondContact O-CB 3.43Å; Y11-A15 PolarHBondContact O-N 2.97Å |
| 12 | R | 91.7 | Very high | 88.1 | Confident | 141 Ų | 141 | 110.7 Ų | 110.7 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -46.1 | 177.6 | -72.9 | 171.5 | 173.4 | -166.6 | -6.6 | 111.8 | K8 W9 N10 A15 V16 | K8-R12 WeakPolarHBondContact O-CG 3.39Å; K8-R12 PolarHBondContact O-N 2.96Å; W9-R12 PolarHBondContact O-N 3.15Å; N10-R12 VanDerWaalsContact C-N 3.34Å; N10-R12 PolarHBondContact O-N 3.2Å; R12-A15 PolarHBondContact O-N 3.39Å; R12-V16 WeakPolarHBondContact O-CG2 3.31Å; R12-V16 PolarHBondContact O-N 3.16Å; R12-V16 VanDerWaalsContact O-N 3.15Å |
| 13 | V | 94.8 | Very high | 89.8 | Confident | 73 Ų | 73 | 110.6 Ų | 110.6 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67 | -41 | 178.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | W9 N10 A15 V16 Y17 | W9-V13 HydrophobicContact CD2-CG2 4.25Å; W9-V13 HydrophobicContact CG-CG2 4.5Å; W9-V13 HydrophobicContact CZ2-CG2 4.1Å; W9-V13 WeakPolarHBondContact O-CG2 3.43Å; W9-V13 PolarHBondContact O-N 2.87Å; N10-V13 PolarHBondContact O-N 3.48Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.43Å; V13-V16 PolarHBondContact O-N 3.1Å; V13-Y17 PolarHBondContact O-N 3.22Å |
| 14 | S | 94 | Very high | 91.4 | Very high | 65 Ų | 65 | 109.6 Ų | 109.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | N10 Y11 Y17 A18 | N10-S14 VanDerWaalsContact O-CB 3.25Å; N10-S14 WeakPolarHBondContact O-CB 3.4Å; N10-S14 PolarHBondContact O-N 3.48Å; Y11-S14 PolarHBondContact O-N 3.37Å; S14-Y17 PolarHBondContact O-N 3.39Å; S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.93Å |
| 15 | A | 95.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 106.6 Ų | 106.6 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y11 R12 V13 Y17 A18 L19 | Y11-A15 WeakPolarHBondContact O-CB 3.43Å; Y11-A15 PolarHBondContact O-N 2.97Å; R12-A15 PolarHBondContact O-N 3.39Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.43Å; A15-Y17 VanDerWaalsContact C-N 3.31Å; A15-Y17 PolarHBondContact O-N 2.83Å; A15-A18 PolarHBondContact O-N 3.26Å; A15-L19 WeakPolarHBondContact O-CB 3.5Å; A15-L19 VanDerWaalsContact O-CG 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 3.39Å |
| 16 | V | 96.6 | Very high | 93.6 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | R12 V13 L19 G20 | R12-V16 WeakPolarHBondContact O-CG2 3.31Å; R12-V16 PolarHBondContact O-N 3.16Å; R12-V16 VanDerWaalsContact O-N 3.15Å; V13-V16 PolarHBondContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-G20 PolarHBondContact O-N 2.93Å |
| 17 | Y | 96.1 | Very high | 94.1 | Very high | 175 Ų | 175 | 103.1 Ų | 103.1 | 69% | 0.686 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 178.7 | -162.8 | -95.6 | 0 | 0 | 0 | 111.9 | V13 S14 A15 L19 G20 V21 | V13-Y17 PolarHBondContact O-N 3.22Å; S14-Y17 PolarHBondContact O-N 3.39Å; A15-Y17 VanDerWaalsContact C-N 3.31Å; A15-Y17 PolarHBondContact O-N 2.83Å; Y17-L19 PolarHBondContact O-N 3.01Å; Y17-G20 PolarHBondContact O-N 2.95Å; Y17-V21 HydrophobicContact CD1-CG2 3.95Å; Y17-V21 HydrophobicContact CE1-CG2 3.69Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.47Å |
| 18 | A | 96.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 104.4 Ų | 104.4 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S14 A15 G20 V21 W22 | S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.93Å; A15-A18 PolarHBondContact O-N 3.26Å; A18-G20 PolarHBondContact O-N 3.23Å; A18-V21 PolarHBondContact O-N 3.35Å; A18-W22 WeakPolarHBondContact O-CB 3.33Å; A18-W22 PolarHBondContact O-N 2.69Å |
| 19 | L | 96.9 | Very high | 94.6 | Very high | 121 Ų | 121 | 101.2 Ų | 101.2 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 175.6 | -71.6 | 174.2 | 0 | 0 | 0 | 111.8 | A15 V16 Y17 W22 T23 | A15-L19 WeakPolarHBondContact O-CB 3.5Å; A15-L19 VanDerWaalsContact O-CG 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 3.43Å; Y17-L19 PolarHBondContact O-N 3.01Å; L19-W22 PolarHBondContact O-N 3.07Å; L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 2.9Å |
| 20 | G | 96.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 98.8 Ų | 98.8 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V16 Y17 A18 T23 I24 | V16-G20 PolarHBondContact O-N 2.93Å; Y17-G20 PolarHBondContact O-N 2.95Å; A18-G20 PolarHBondContact O-N 3.23Å; G20-T23 WeakPolarHBondContact CA-OG1 3.44Å; G20-T23 PolarHBondContact O-OG1 3.13Å; G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 2.87Å |
| 21 | V | 97.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 96.1 Ų | 96.1 | 33% | 0.333 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | Y17 A18 I24 L25 | Y17-V21 HydrophobicContact CD1-CG2 3.95Å; Y17-V21 HydrophobicContact CE1-CG2 3.69Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.47Å; A18-V21 PolarHBondContact O-N 3.35Å; V21-I24 PolarHBondContact O-N 3.48Å; V21-L25 PolarHBondContact O-N 2.93Å |
| 22 | W | 96.7 | Very high | 94.2 | Very high | 184 Ų | 184 | 93.1 Ų | 93.1 | 70% | 0.697 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.4 | -33.6 | 179.8 | -120.2 | -131.5 | 0 | 0 | 0 | 113.5 | A18 L19 L25 G26 | A18-W22 WeakPolarHBondContact O-CB 3.33Å; A18-W22 PolarHBondContact O-N 2.69Å; L19-W22 PolarHBondContact O-N 3.07Å; W22-L25 HydrophobicContact CE3-CD2 4.44Å; W22-L25 HydrophobicContact CH2-CD2 4.48Å; W22-L25 HydrophobicContact CZ3-CD2 4.07Å; W22-G26 WeakPolarHBondContact O-CA 3.48Å; W22-G26 PolarHBondContact O-N 2.94Å |
| 23 | T | 96.5 | Very high | 93.9 | Very high | 92 Ų | 92 | 96.1 Ų | 96.1 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | L19 G20 S27 | L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 2.9Å; G20-T23 WeakPolarHBondContact CA-OG1 3.44Å; G20-T23 PolarHBondContact O-OG1 3.13Å; T23-S27 WeakPolarHBondContact O-CB 3.48Å; T23-S27 PolarHBondContact O-N 2.88Å |
| 24 | I | 96.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 95.4 Ų | 95.4 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -49.8 | 174.9 | -65.2 | 167.7 | 0 | 0 | 0 | 110.2 | G20 V21 G26 S27 Y28 | G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 2.87Å; V21-I24 PolarHBondContact O-N 3.48Å; I24-G26 VanDerWaalsContact C-N 3.35Å; I24-G26 PolarHBondContact O-N 2.86Å; I24-S27 PolarHBondContact O-N 2.92Å; I24-Y28 WeakPolarHBondContact O-CB 3.48Å; I24-Y28 PolarHBondContact O-N 3.24Å |
| 25 | L | 96.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 93.6 Ų | 93.6 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.5 | -124.2 | 76.2 | 0 | 0 | 0 | 111.6 | V21 W22 Y28 A29 | V21-L25 PolarHBondContact O-N 2.93Å; W22-L25 HydrophobicContact CE3-CD2 4.44Å; W22-L25 HydrophobicContact CH2-CD2 4.48Å; W22-L25 HydrophobicContact CZ3-CD2 4.07Å; L25-Y28 PolarHBondContact O-N 2.88Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å |
| 26 | G | 95.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 100 Ų | 100 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W22 I24 Y28 A29 F30 | W22-G26 WeakPolarHBondContact O-CA 3.48Å; W22-G26 PolarHBondContact O-N 2.94Å; I24-G26 VanDerWaalsContact C-N 3.35Å; I24-G26 PolarHBondContact O-N 2.86Å; G26-Y28 VanDerWaalsContact C-N 3.35Å; G26-Y28 PolarHBondContact O-N 3.28Å; G26-A29 PolarHBondContact O-N 3.36Å; G26-F30 WeakPolarHBondContact O-CB 3.27Å; G26-F30 PolarHBondContact O-N 2.65Å |
| 27 | S | 92.5 | Very high | 89.5 | Confident | 64 Ų | 64 | 99.2 Ų | 99.2 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | T23 I24 F30 L31 | T23-S27 WeakPolarHBondContact O-CB 3.48Å; T23-S27 PolarHBondContact O-N 2.88Å; I24-S27 PolarHBondContact O-N 2.92Å; S27-F30 PolarHBondContact O-N 3.45Å; S27-L31 WeakPolarHBondContact O-CB 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.78Å |
| 28 | Y | 91.8 | Very high | 87.9 | Confident | 141 Ų | 141 | 96.8 Ų | 96.8 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -48 | 177.5 | 179.4 | -101.3 | 0 | 0 | 0 | 111.7 | I24 L25 G26 F30 L31 K32 L37 | I24-Y28 WeakPolarHBondContact O-CB 3.48Å; I24-Y28 PolarHBondContact O-N 3.24Å; L25-Y28 PolarHBondContact O-N 2.88Å; G26-Y28 VanDerWaalsContact C-N 3.35Å; G26-Y28 PolarHBondContact O-N 3.28Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 2.79Å; Y28-L31 PolarHBondContact O-N 2.77Å; Y28-K32 HydrophobicContact CE1-CD 4.4Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.23Å; Y28-L37 HydrophobicContact CD2-CD1 4.25Å; Y28-L37 HydrophobicContact CE2-CD1 3.98Å |
| 29 | A | 91.9 | Very high | 86.2 | Confident | 57 Ų | 57 | 99.5 Ų | 99.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L25 G26 K32 Y33 | L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 2.72Å; G26-A29 PolarHBondContact O-N 3.36Å; A29-K32 PolarHBondContact O-N 3.33Å; A29-Y33 VanDerWaalsContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CB 3.35Å; A29-Y33 PolarHBondContact O-N 2.83Å |
| 30 | F | 91.6 | Very high | 84.1 | Confident | 127 Ų | 127 | 98.3 Ų | 98.3 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 176.3 | 178 | -98.9 | 0 | 0 | 0 | 112.4 | G26 S27 Y28 K32 Y33 T34 | G26-F30 WeakPolarHBondContact O-CB 3.27Å; G26-F30 PolarHBondContact O-N 2.65Å; S27-F30 PolarHBondContact O-N 3.45Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 2.79Å; F30-K32 VanDerWaalsContact C-N 3.31Å; F30-K32 PolarHBondContact O-N 3.46Å; F30-Y33 PolarHBondContact O-N 2.71Å; F30-T34 HydrophobicContact CD1-CG2 4.48Å; F30-T34 HydrophobicContact CD2-CG2 4.31Å; F30-T34 HydrophobicContact CE1-CG2 4.06Å; F30-T34 HydrophobicContact CE2-CG2 3.88Å; F30-T34 HydrophobicContact CZ-CG2 3.75Å; F30-T34 WeakPolarHBondContact O-CB 3.1Å; F30-T34 WeakPolarHBondContact O-CG2 3.32Å; F30-T34 PolarHBondContact O-N 2.9Å; F30-T34 PolarHBondContact O-OG1 2.65Å |
| 31 | L | 89 | Confident | 82 | Confident | 56 Ų | 56 | 103 Ų | 103 | 29% | 0.293 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.1 | -73.8 | 174.4 | 0 | 0 | 0 | 112.1 | S27 Y28 T34 G35 R36 L37 | S27-L31 WeakPolarHBondContact O-CB 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.27Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.78Å; Y28-L31 PolarHBondContact O-N 2.77Å; L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-OG1 3.14Å; L31-G35 PolarHBondContact O-N 2.59Å; L31-R36 HydrophobicContact CD2-CB 4.48Å; L31-R36 PolarHBondContact O-N 2.94Å; L31-L37 HydrophobicContact CB-CD1 3.87Å; L31-L37 HydrophobicContact CB-CG 4.01Å |
| 32 | K | 85.5 | Confident | 79.5 | Confident | 117 Ų | 117 | 105 Ų | 105 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 173.6 | -171.1 | 172 | -176.1 | 174.2 | 0 | 111.7 | Y28 A29 F30 T34 G35 L37 | Y28-K32 HydrophobicContact CE1-CD 4.4Å; Y28-K32 WeakPolarHBondContact O-CB 3.41Å; Y28-K32 PolarHBondContact O-N 3.23Å; A29-K32 PolarHBondContact O-N 3.33Å; F30-K32 VanDerWaalsContact C-N 3.31Å; F30-K32 PolarHBondContact O-N 3.46Å; K32-T34 VanDerWaalsContact C-N 3.35Å; K32-T34 PolarHBondContact O-N 3.32Å; K32-G35 PolarHBondContact O-N 3.46Å; K32-L37 HydrophobicContact CB-CD1 4.24Å |
| 33 | Y | 85.1 | Confident | 77 | Confident | 205 Ų | 205 | 103 Ų | 103 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 179 | 177.9 | -101.8 | 0 | 0 | 0 | 112.7 | A29 F30 G35 | A29-Y33 VanDerWaalsContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CB 3.35Å; A29-Y33 PolarHBondContact O-N 2.83Å; F30-Y33 PolarHBondContact O-N 2.71Å; Y33-G35 PolarHBondContact O-N 3.28Å |
| 34 | T | 84.9 | Confident | 74.4 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 36% | 0.356 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 1.8 | 178 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | F30 L31 K32 R36 | F30-T34 HydrophobicContact CD1-CG2 4.48Å; F30-T34 HydrophobicContact CD2-CG2 4.31Å; F30-T34 HydrophobicContact CE1-CG2 4.06Å; F30-T34 HydrophobicContact CE2-CG2 3.88Å; F30-T34 HydrophobicContact CZ-CG2 3.75Å; F30-T34 WeakPolarHBondContact O-CB 3.1Å; F30-T34 WeakPolarHBondContact O-CG2 3.32Å; F30-T34 PolarHBondContact O-N 2.9Å; F30-T34 PolarHBondContact O-OG1 2.65Å; L31-T34 WeakPolarHBondContact CA-OG1 3.42Å; L31-T34 PolarHBondContact O-OG1 3.14Å; K32-T34 VanDerWaalsContact C-N 3.35Å; K32-T34 PolarHBondContact O-N 3.32Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-R36 VanDerWaalsContact O-N 3.16Å |
| 35 | G | 74 | Confident | 71.8 | Confident | 27 Ų | 27 | 108.5 Ų | 108.5 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.8 | -0.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L31 K32 Y33 L37 D38 D39 | L31-G35 PolarHBondContact O-N 2.59Å; K32-G35 PolarHBondContact O-N 3.46Å; Y33-G35 PolarHBondContact O-N 3.28Å; G35-L37 PolarHBondContact O-N 3.09Å; G35-L37 VanDerWaalsContact O-N 3.1Å; G35-D38 PolarHBondContact O-N 3.1Å; G35-D38 VanDerWaalsContact O-N 3.09Å; G35-D39 PolarHBondContact O-N 3.31Å |
| 36 | R | 66.1 | Low | 69.1 | Low | 174 Ų | 174 | 110.6 Ų | 110.6 | 66% | 0.657 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -11 | -174.8 | -61.1 | -176.9 | 72.4 | 158.3 | 3.7 | 114.3 | L31 T34 | L31-R36 HydrophobicContact CD2-CB 4.48Å; L31-R36 PolarHBondContact O-N 2.94Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-R36 VanDerWaalsContact O-N 3.16Å |
| 37 | L | 62.9 | Low | 67 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | -22.1 | 176 | -67 | 174.7 | 0 | 0 | 0 | 112.8 | Y28 L31 K32 G35 | Y28-L37 HydrophobicContact CD2-CD1 4.25Å; Y28-L37 HydrophobicContact CE2-CD1 3.98Å; L31-L37 HydrophobicContact CB-CD1 3.87Å; L31-L37 HydrophobicContact CB-CG 4.01Å; K32-L37 HydrophobicContact CB-CD1 4.24Å; G35-L37 PolarHBondContact O-N 3.09Å; G35-L37 VanDerWaalsContact O-N 3.1Å |
| 38 | D | 61.9 | Low | 65.1 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -8.1 | -179.4 | -69 | -34.2 | 0 | 0 | 0 | 112.2 | G35 P40 | G35-D38 PolarHBondContact O-N 3.1Å; G35-D38 VanDerWaalsContact O-N 3.09Å; D38-P40 WeakPolarHBondContact O-CD 3.49Å |
| 39 | D | 60.4 | Low | 63.4 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -54.6 | 111.9 | 164.1 | -75.6 | -35.6 | 0 | 0 | 0 | 106.7 | G35 V41 | G35-D39 PolarHBondContact O-N 3.31Å; D39-V41 PolarHBondContact O-N 2.75Å; D39-V41 VanDerWaalsContact O-N 3.14Å |
| 40 | P | 53.5 | Low | 61.8 | Low | 97 Ų | 97 | 122.9 Ų | 122.9 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | trans | -54.3 | 134.4 | 167.4 | 22.6 | -27.8 | 0 | 0 | 0 | 104.5 | D38 V42 | D38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-V42 HydrophobicContact CB-CG2 4.34Å; P40-V42 HydrophobicContact CG-CG2 3.86Å; P40-V42 PolarHBondContact O-N 3.16Å | ||
| 41 | V | 52 | Low | 60.2 | Low | 126 Ų | 126 | 119.9 Ų | 119.9 | 76% | 0.764 | 60% | 0.6 | S | S | * | * | trans | -58.9 | 82.7 | 156.2 | -180 | 0 | 0 | 0 | 0 | 103.9 | D39 N43 | D39-V41 PolarHBondContact O-N 2.75Å; D39-V41 VanDerWaalsContact O-N 3.14Å; V41-N43 PolarHBondContact O-N 2.89Å | ||
| 42 | V | 46.1 | Very low | 59.2 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | trans | -59.5 | 101.2 | 165.4 | -180 | 0 | 0 | 0 | 0 | 99.6 | P40 Q44 | P40-V42 HydrophobicContact CB-CG2 4.34Å; P40-V42 HydrophobicContact CG-CG2 3.86Å; P40-V42 PolarHBondContact O-N 3.16Å; V42-Q44 HydrophobicContact CG1-CB 3.88Å; V42-Q44 PolarHBondContact O-N 3.27Å | ||
| 43 | N | 44.4 | Very low | 58.3 | Low | 141 Ų | 141 | 119.2 Ų | 119.2 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | trans | -57.7 | 72.4 | 152.6 | -69.2 | -71.8 | 0 | 0 | 0 | 104.5 | V41 K45 | V41-N43 PolarHBondContact O-N 2.89Å; N43-K45 PolarHBondContact O-N 3.47Å | ||
| 44 | Q | 41.3 | Very low | 57.8 | Low | 132 Ų | 132 | 112.7 Ų | 112.7 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | trans | -68.4 | 90.6 | 168.9 | -164.7 | 172.3 | 12.3 | 0 | 0 | 100.1 | V42 F46 | V42-Q44 HydrophobicContact CG1-CB 3.88Å; V42-Q44 PolarHBondContact O-N 3.27Å; Q44-F46 HydrophobicContact CB-CD2 4.33Å; Q44-F46 VanDerWaalsContact CD-CD2 3.46Å; Q44-F46 VanDerWaalsContact CD-CE2 3.4Å; Q44-F46 HydrophobicContact CG-CD2 3.66Å; Q44-F46 HydrophobicContact CG-CE2 4.15Å; Q44-F46 PolarHBondContact O-N 3.21Å | ||
| 45 | K | 40.8 | Very low | 57.5 | Low | 198 Ų | 198 | 114 Ų | 114 | 86% | 0.861 | 59% | 0.585 | S | S | * | * | trans | -56.6 | 82.4 | 149.5 | -72 | -177.4 | 178.3 | -179.2 | 0 | 103.8 | N43 E47 | N43-K45 PolarHBondContact O-N 3.47Å; K45-E47 PolarHBondContact O-N 2.96Å | ||
| 46 | F | 41.2 | Very low | 57.8 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 63% | 0.627 | 59% | 0.591 | S | S | * | * | trans | -56.1 | 98.8 | 156.1 | -115.5 | -92.9 | 0 | 0 | 0 | 102.5 | Q44 E48 | Q44-F46 HydrophobicContact CB-CD2 4.33Å; Q44-F46 VanDerWaalsContact CD-CD2 3.46Å; Q44-F46 VanDerWaalsContact CD-CE2 3.4Å; Q44-F46 HydrophobicContact CG-CD2 3.66Å; Q44-F46 HydrophobicContact CG-CE2 4.15Å; Q44-F46 PolarHBondContact O-N 3.21Å; F46-E48 PolarHBondContact O-N 3.48Å | ||
| 47 | E | 49.4 | Very low | 58.6 | Low | 189 Ų | 189 | 113.9 Ų | 113.9 | 88% | 0.883 | 58% | 0.584 | S | S | * | * | trans | -60.5 | 83.1 | 147.3 | -84.6 | -179.2 | 163.3 | 0 | 0 | 104.7 | K45 | K45-E47 PolarHBondContact O-N 2.96Š| ||
| 48 | E | 54.2 | Low | 59.6 | Low | 73 Ų | 73 | 115.9 Ų | 115.9 | 34% | 0.341 | 59% | 0.591 | S | S | . | * | trans | -64.3 | 123.7 | 175.6 | -164.6 | 171.7 | -152.3 | 0 | 0 | 105.3 | F46 E50 K54 | F46-E48 PolarHBondContact O-N 3.48Å; E48-E50 PolarHBondContact O-N 2.87Å; E48-K54 IonicContact OE2-NZ 2.72Å; E48-K54 PolarHBondContact OE2-NZ 3.32Å | ||
| 49 | P | 56.2 | Low | 60.7 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | trans | -51.4 | 144.2 | 174.2 | 23.4 | -33.1 | 0 | 0 | 0 | 108.3 | N51 | P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 3.22Å; P49-N51 PolarHBondContact O-ND2 2.92Å | ||
| 50 | E | 56.7 | Low | 61.7 | Low | 199 Ų | 199 | 113.8 Ų | 113.8 | 93% | 0.93 | 60% | 0.596 | S | S | * | * | trans | -55.8 | 88.3 | -174.4 | -141.6 | 176.8 | -166 | 0 | 0 | 109.9 | E48 | E48-E50 PolarHBondContact O-N 2.87Š| ||
| 51 | N | 58.7 | Low | 63.3 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 35% | 0.348 | 61% | 0.608 | S | S | . | * | trans | -75.4 | 123.3 | -178.4 | -94 | -65 | 0 | 0 | 0 | 106.7 | P49 N53 K54 | P49-N51 VanDerWaalsContact C-N 3.25Å; P49-N51 PolarHBondContact O-N 3.22Å; P49-N51 PolarHBondContact O-ND2 2.92Å; N51-N53 PolarHBondContact O-N 3.38Å; N51-K54 HydrophobicContact CB-CB 4.42Å; N51-K54 VanDerWaalsContact O-CB 3.31Å; N51-K54 WeakPolarHBondContact O-CB 3.5Å; N51-K54 PolarHBondContact O-N 3.47Å | ||
| 52 | P | 67.4 | Low | 64.8 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 71% | 0.708 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -14.3 | -178.9 | 23.8 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 53 | N | 66.7 | Low | 66.9 | Low | 50 Ų | 50 | 116.5 Ų | 116.5 | 27% | 0.267 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | 11.1 | 179 | -63.7 | -24.9 | 0 | 0 | 0 | 114.1 | N51 Y68 E70 | N51-N53 PolarHBondContact O-N 3.38Å; N53-Y68 PolarHBondContact O-N 3.49Å; N53-Y68 VanDerWaalsContact O-N 3.15Å; N53-E70 WeakPolarHBondContact ND2-CG 3.31Å; N53-E70 PolarHBondContact ND2-OE1 3.22Å |
| 54 | K | 75.3 | Confident | 68.8 | Low | 67 Ų | 67 | 113.3 Ų | 113.3 | 29% | 0.291 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 112 | 179.5 | -173.7 | 170.2 | -172.7 | 164.2 | 0 | 110 | E48 N51 V56 I65 I66 V67 | E48-K54 IonicContact OE2-NZ 2.72Å; E48-K54 PolarHBondContact OE2-NZ 3.32Å; N51-K54 HydrophobicContact CB-CB 4.42Å; N51-K54 VanDerWaalsContact O-CB 3.31Å; N51-K54 WeakPolarHBondContact O-CB 3.5Å; N51-K54 PolarHBondContact O-N 3.47Å; K54-V56 HydrophobicContact CG-CG2 4.35Å; K54-I65 HydrophobicContact CD-CG2 4.24Å; K54-I65 HydrophobicContact CG-CG2 3.93Å; K54-I66 WeakPolarHBondContact CA-O 3.41Å; K54-V67 HydrophobicContact CG-CG2 4.25Å |
| 55 | H | 77.8 | Confident | 70.8 | Confident | 86 Ų | 86 | 111 Ų | 111 | 40% | 0.398 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.3 | 175.4 | -63.9 | -84.9 | 0 | 0 | 0 | 109.9 | Y57 I66 Y68 | H55-Y57 HydrophobicContact CB-CE2 3.95Å; H55-I66 PolarHBondContact N-O 3Å; H55-I66 PolarHBondContact O-N 3.44Å; H55-Y68 AromaticContact CD2-CD2 3.75Å; H55-Y68 AromaticContact CD2-CE2 3.51Å |
| 56 | V | 82 | Confident | 72.7 | Confident | 64 Ų | 64 | 104.5 Ų | 104.5 | 39% | 0.388 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.3 | 178.2 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | K54 E58 K63 T64 I65 | K54-V56 HydrophobicContact CG-CG2 4.35Å; V56-E58 HydrophobicContact CG1-CG 3.74Å; V56-K63 HydrophobicContact CG1-CD 4.42Å; V56-K63 HydrophobicContact CG1-CG 4.05Å; V56-T64 WeakPolarHBondContact CA-O 3.5Å; V56-I65 HydrophobicContact CG1-CG1 4.42Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å |
| 57 | Y | 82.3 | Confident | 74.8 | Confident | 134 Ų | 134 | 101 Ų | 101 | 53% | 0.525 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115 | 171.2 | -63.5 | -87.8 | 0 | 0 | 0 | 108.1 | H55 T64 I66 | H55-Y57 HydrophobicContact CB-CE2 3.95Å; Y57-T64 PolarHBondContact N-O 2.85Å; Y57-T64 PolarHBondContact O-N 3.37Å; Y57-I66 HydrophobicContact CD2-CD1 4.05Å; Y57-I66 HydrophobicContact CD2-CG1 4.36Å; Y57-I66 HydrophobicContact CE2-CD1 3.73Å; Y57-I66 HydrophobicContact CE2-CG1 4.34Å |
| 58 | E | 83.3 | Confident | 76.2 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.3 | 177.6 | -57.5 | -166 | 161.4 | 0 | 0 | 109.6 | V56 K63 | V56-E58 HydrophobicContact CG1-CG 3.74Å; E58-K63 HydrophobicContact CG-CG 4.27Å; E58-K63 WeakPolarHBondContact OE1-CD 3.19Å; E58-K63 VanDerWaalsContact OE1-CE 3.3Å; E58-K63 WeakPolarHBondContact OE1-CE 3.19Å; E58-K63 IonicContact OE1-NZ 2.83Å; E58-K63 PolarHBondContact OE1-NZ 3.46Å |
| 59 | T | 84.3 | Confident | 77.3 | Confident | 100 Ų | 100 | 102.5 Ų | 102.5 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 164.7 | 170.2 | -53.4 | 0 | 0 | 0 | 0 | 107.6 | H61 S62 | T59-H61 PolarHBondContact O-N 3.4Å; T59-S62 PolarHBondContact N-O 2.92Å; T59-S62 PolarHBondContact O-N 2.83Å |
| 60 | A | 82.9 | Confident | 78.1 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 74% | 0.744 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -24.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 61 | H | 87.2 | Confident | 78.8 | Confident | 188 Ų | 188 | 102.2 Ų | 102.2 | 87% | 0.87 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -1.3 | -177.2 | -56.4 | -56.2 | 0 | 0 | 0 | 114.6 | T59 | T59-H61 PolarHBondContact O-N 3.4Š|
| 62 | S | 82.4 | Confident | 79.6 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.2 | -173.8 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | T59 | T59-S62 PolarHBondContact N-O 2.92Å; T59-S62 PolarHBondContact O-N 2.83Å |
| 63 | K | 89.6 | Confident | 80.1 | Confident | 127 Ų | 127 | 101.1 Ų | 101.1 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.6 | 172.4 | 178.3 | 166.7 | -179 | 143.6 | 0 | 108.7 | V56 E58 I65 | V56-K63 HydrophobicContact CG1-CD 4.42Å; V56-K63 HydrophobicContact CG1-CG 4.05Å; E58-K63 HydrophobicContact CG-CG 4.27Å; E58-K63 WeakPolarHBondContact OE1-CD 3.19Å; E58-K63 VanDerWaalsContact OE1-CE 3.3Å; E58-K63 WeakPolarHBondContact OE1-CE 3.19Å; E58-K63 IonicContact OE1-NZ 2.83Å; E58-K63 PolarHBondContact OE1-NZ 3.46Å; K63-I65 HydrophobicContact CG-CG1 4.2Å |
| 64 | T | 85 | Confident | 80.9 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.9 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 108.8 | V56 Y57 I66 | V56-T64 WeakPolarHBondContact CA-O 3.5Å; Y57-T64 PolarHBondContact N-O 2.85Å; Y57-T64 PolarHBondContact O-N 3.37Å; T64-I66 HydrophobicContact CG2-CG1 4.17Å |
| 65 | I | 84.1 | Confident | 81.2 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 43% | 0.431 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111 | 178.7 | -56.4 | 175.9 | 0 | 0 | 0 | 107.3 | K54 V56 K63 V67 | K54-I65 HydrophobicContact CD-CG2 4.24Å; K54-I65 HydrophobicContact CG-CG2 3.93Å; V56-I65 HydrophobicContact CG1-CG1 4.42Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å; K63-I65 HydrophobicContact CG-CG1 4.2Å; I65-V67 HydrophobicContact CG2-CG2 3.89Å |
| 66 | I | 81.3 | Confident | 81.5 | Confident | 60 Ų | 60 | 105.6 Ų | 105.6 | 31% | 0.308 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.5 | 174.1 | -53.9 | -175.9 | 0 | 0 | 0 | 107.5 | K54 H55 Y57 T64 Y68 | K54-I66 WeakPolarHBondContact CA-O 3.41Å; H55-I66 PolarHBondContact N-O 3Å; H55-I66 PolarHBondContact O-N 3.44Å; Y57-I66 HydrophobicContact CD2-CD1 4.05Å; Y57-I66 HydrophobicContact CD2-CG1 4.36Å; Y57-I66 HydrophobicContact CE2-CD1 3.73Å; Y57-I66 HydrophobicContact CE2-CG1 4.34Å; T64-I66 HydrophobicContact CG2-CG1 4.17Å; I66-Y68 HydrophobicContact CG2-CD2 4.28Å; I66-Y68 HydrophobicContact CG2-CE1 4.25Å; I66-Y68 HydrophobicContact CG2-CE2 3.8Å |
| 67 | V | 83.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 110 Ų | 110 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 109.9 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | K54 I65 | K54-V67 HydrophobicContact CG-CG2 4.25Å; I65-V67 HydrophobicContact CG2-CG2 3.89Å |
| 68 | Y | 78.6 | Confident | 81.6 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 121.4 | 173.1 | -64.2 | -80.6 | 0 | 0 | 0 | 109.5 | N53 H55 I66 | N53-Y68 PolarHBondContact O-N 3.49Å; N53-Y68 VanDerWaalsContact O-N 3.15Å; H55-Y68 AromaticContact CD2-CD2 3.75Å; H55-Y68 AromaticContact CD2-CE2 3.51Å; I66-Y68 HydrophobicContact CG2-CD2 4.28Å; I66-Y68 HydrophobicContact CG2-CE1 4.25Å; I66-Y68 HydrophobicContact CG2-CE2 3.8Å |
| 69 | K | 77.5 | Confident | 81.8 | Confident | 157 Ų | 157 | 107.9 Ų | 107.9 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 121.8 | 177.7 | -177.3 | 168.7 | -176.8 | 172.2 | 0 | 109.8 | F72 | K69-F72 HydrophobicContact CB-CB 4.18Å; K69-F72 HydrophobicContact CD-CD2 4.29Å; K69-F72 HydrophobicContact CG-CB 4.44Å; K69-F72 PolarHBondContact O-N 2.83Å |
| 70 | E | 72.9 | Confident | 81.8 | Confident | 132 Ų | 132 | 109.9 Ų | 109.9 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 138.7 | 172.3 | -62.7 | -176 | 172.3 | 0 | 0 | 109.6 | N53 F72 | N53-E70 WeakPolarHBondContact ND2-CG 3.31Å; N53-E70 PolarHBondContact ND2-OE1 3.22Å; E70-F72 VanDerWaalsContact C-N 3.27Å; E70-F72 PolarHBondContact O-N 3.41Å |
| 71 | D | 72.6 | Confident | 81.9 | Confident | 156 Ų | 156 | 109.4 Ų | 109.4 | 83% | 0.834 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 24.8 | -178.8 | -54.5 | -42.7 | 0 | 0 | 0 | 116.4 | V73 | D71-V73 PolarHBondContact O-N 2.9Š|
| 72 | F | 75.9 | Confident | 81.8 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | trans | -69.5 | 99.3 | 174.6 | -171.9 | -98.3 | 0 | 0 | 0 | 111.9 | K69 E70 P74 Y75 | K69-F72 HydrophobicContact CB-CB 4.18Å; K69-F72 HydrophobicContact CD-CD2 4.29Å; K69-F72 HydrophobicContact CG-CB 4.44Å; K69-F72 PolarHBondContact O-N 2.83Å; E70-F72 VanDerWaalsContact C-N 3.27Å; E70-F72 PolarHBondContact O-N 3.41Å; F72-P74 WeakPolarHBondContact O-CD 3.36Å; F72-Y75 HydrophobicContact CE2-CE2 4.23Å; F72-Y75 HydrophobicContact CZ-CD2 4.02Å; F72-Y75 AromaticContact CZ-CE2 3.83Å; F72-Y75 HydrophobicContact CZ-CE2 3.83Å | ||
| 73 | V | 76.8 | Confident | 82 | Confident | 55 Ų | 55 | 108.9 Ų | 108.9 | 33% | 0.333 | 52% | 0.517 | S | S | . | . | trans | -75.4 | 119.6 | 166.1 | -178.7 | 0 | 0 | 0 | 0 | 109 | D71 Y75 R77 R78 | D71-V73 PolarHBondContact O-N 2.9Å; V73-Y75 PolarHBondContact O-N 2.92Å; V73-R77 HydrophobicContact CG1-CB 3.74Å; V73-R77 HydrophobicContact CG1-CG 3.9Å; V73-R78 HydrophobicContact CB-CG 4.31Å; V73-R78 HydrophobicContact CG1-CG 3.87Å; V73-R78 PolarHBondContact O-NE 3.38Å | ||
| 74 | P | 84.4 | Confident | 81.6 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | trans | -52.3 | 140.3 | 176.9 | -27.1 | 34.9 | 0 | 0 | 0 | 111.6 | F72 S76 R77 R78 | F72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-S76 WeakPolarHBondContact CB-OG 3.27Å; P74-S76 PolarHBondContact O-N 3.37Å; P74-S76 VanDerWaalsContact O-N 3.13Å; P74-R77 HydrophobicContact CB-CB 4.46Å; P74-R77 WeakPolarHBondContact O-CA 3.47Å; P74-R77 WeakPolarHBondContact O-CB 3.4Å; P74-R77 PolarHBondContact O-N 2.83Å; P74-R78 PolarHBondContact O-N 3.04Å; P74-R78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | Y | 81.4 | Confident | 81.5 | Confident | 154 Ų | 154 | 109.3 Ų | 109.3 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53.8 | -36.3 | 178.6 | -72.2 | -75.9 | 0 | 0 | 0 | 112.3 | F72 V73 R77 R78 I79 | F72-Y75 HydrophobicContact CE2-CE2 4.23Å; F72-Y75 HydrophobicContact CZ-CD2 4.02Å; F72-Y75 AromaticContact CZ-CE2 3.83Å; F72-Y75 HydrophobicContact CZ-CE2 3.83Å; V73-Y75 PolarHBondContact O-N 2.92Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.48Å; Y75-R78 WeakPolarHBondContact O-CB 3.37Å; Y75-R78 PolarHBondContact O-N 2.94Å; Y75-R78 VanDerWaalsContact O-N 3.16Å; Y75-I79 WeakPolarHBondContact O-CD1 3.48Å; Y75-I79 VanDerWaalsContact O-CG1 3.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.39Å; Y75-I79 PolarHBondContact O-N 3.2Å |
| 76 | S | 83.4 | Confident | 81.4 | Confident | 85 Ų | 85 | 111.7 Ų | 111.7 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.5 | -43.8 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | P74 I79 Y80 | P74-S76 WeakPolarHBondContact CB-OG 3.27Å; P74-S76 PolarHBondContact O-N 3.37Å; P74-S76 VanDerWaalsContact O-N 3.13Å; S76-I79 PolarHBondContact O-N 3.45Å; S76-Y80 VanDerWaalsContact O-CB 3.28Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.47Å |
| 77 | R | 82.7 | Confident | 81.1 | Confident | 157 Ų | 157 | 113.2 Ų | 113.2 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.2 | -33.5 | 178 | -168.1 | 168.2 | -170.9 | -174.2 | 2.9 | 112.1 | V73 P74 Y75 N81 | V73-R77 HydrophobicContact CG1-CB 3.74Å; V73-R77 HydrophobicContact CG1-CG 3.9Å; P74-R77 HydrophobicContact CB-CB 4.46Å; P74-R77 WeakPolarHBondContact O-CA 3.47Å; P74-R77 WeakPolarHBondContact O-CB 3.4Å; P74-R77 PolarHBondContact O-N 2.83Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.48Å; R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.27Å; R77-N81 PolarHBondContact O-ND2 3.49Å |
| 78 | R | 84.3 | Confident | 80 | Confident | 120 Ų | 120 | 113.1 Ų | 113.1 | 45% | 0.453 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -47.5 | 173.1 | -63.2 | -177.6 | -174 | -172.5 | -4.6 | 111.7 | V73 P74 Y75 N81 F82 | V73-R78 HydrophobicContact CB-CG 4.31Å; V73-R78 HydrophobicContact CG1-CG 3.87Å; V73-R78 PolarHBondContact O-NE 3.38Å; P74-R78 PolarHBondContact O-N 3.04Å; P74-R78 VanDerWaalsContact O-N 3.1Å; Y75-R78 WeakPolarHBondContact O-CB 3.37Å; Y75-R78 PolarHBondContact O-N 2.94Å; Y75-R78 VanDerWaalsContact O-N 3.16Å; R78-N81 PolarHBondContact O-N 3.36Å; R78-F82 WeakPolarHBondContact O-CB 3.25Å; R78-F82 PolarHBondContact O-N 3.31Å |
| 79 | I | 86.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 52% | 0.523 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.2 | -44.6 | 178.6 | -65.3 | 160.9 | 0 | 0 | 0 | 110.3 | Y75 S76 N81 F82 I83 | Y75-I79 WeakPolarHBondContact O-CD1 3.48Å; Y75-I79 VanDerWaalsContact O-CG1 3.3Å; Y75-I79 WeakPolarHBondContact O-CG1 3.39Å; Y75-I79 PolarHBondContact O-N 3.2Å; S76-I79 PolarHBondContact O-N 3.45Å; I79-N81 PolarHBondContact O-N 3.15Å; I79-F82 WeakPolarHBondContact O-CB 3.36Å; I79-F82 PolarHBondContact O-N 3.01Å; I79-I83 HydrophobicContact CG2-CD1 3.73Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.32Å; I79-I83 PolarHBondContact O-N 3.3Å |
| 80 | Y | 85.6 | Confident | 77.8 | Confident | 141 Ų | 141 | 107.3 Ų | 107.3 | 55% | 0.553 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.6 | -47.5 | 175.5 | 174.5 | -100.5 | 0 | 0 | 0 | 112.1 | S76 F82 I83 K84 | S76-Y80 VanDerWaalsContact O-CB 3.28Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.47Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.39Å; Y80-I83 PolarHBondContact O-N 3.43Å; Y80-K84 HydrophobicContact CE1-CD 4.11Å; Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.33Å; Y80-K84 PolarHBondContact O-N 3.49Å |
| 81 | N | 84.2 | Confident | 76.7 | Confident | 81 Ų | 81 | 104.8 Ų | 104.8 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -38.8 | 177.2 | -73.8 | -11.3 | 0 | 0 | 0 | 112 | R77 R78 I79 K84 S85 | R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.27Å; R77-N81 PolarHBondContact O-ND2 3.49Å; R78-N81 PolarHBondContact O-N 3.36Å; I79-N81 PolarHBondContact O-N 3.15Å; N81-K84 PolarHBondContact O-N 2.8Å; N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 3.37Å |
| 82 | F | 84.9 | Confident | 75.3 | Confident | 139 Ų | 139 | 102 Ų | 102 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -51.5 | 175.7 | 179.7 | -101.8 | 0 | 0 | 0 | 111.5 | R78 I79 Y80 K84 S85 L86 | R78-F82 WeakPolarHBondContact O-CB 3.25Å; R78-F82 PolarHBondContact O-N 3.31Å; I79-F82 WeakPolarHBondContact O-CB 3.36Å; I79-F82 PolarHBondContact O-N 3.01Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.39Å; F82-K84 VanDerWaalsContact C-N 3.34Å; F82-K84 PolarHBondContact O-N 3.28Å; F82-S85 PolarHBondContact O-N 3.4Å; F82-S85 PolarHBondContact O-OG 2.96Å; F82-L86 PolarHBondContact O-N 3.46Å |
| 83 | I | 86 | Confident | 74.1 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 52% | 0.523 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 178 | -64.7 | 168.3 | 0 | 0 | 0 | 110.9 | I79 Y80 S85 L86 S87 | I79-I83 HydrophobicContact CG2-CD1 3.73Å; I79-I83 HydrophobicContact CG2-CG1 4.4Å; I79-I83 WeakPolarHBondContact O-CG1 3.32Å; I79-I83 PolarHBondContact O-N 3.3Å; Y80-I83 PolarHBondContact O-N 3.43Å; I83-S85 PolarHBondContact O-N 3.38Å; I83-L86 WeakPolarHBondContact O-CB 3.32Å; I83-L86 PolarHBondContact O-N 2.93Å; I83-S87 PolarHBondContact O-N 3.44Å |
| 84 | K | 81.9 | Confident | 72.3 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62 | -42.2 | 176.7 | -175.4 | 177.2 | 178.6 | -178.6 | 0 | 111.9 | Y80 N81 F82 L86 S87 G88 | Y80-K84 HydrophobicContact CE1-CD 4.11Å; Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.33Å; Y80-K84 PolarHBondContact O-N 3.49Å; N81-K84 PolarHBondContact O-N 2.8Å; F82-K84 VanDerWaalsContact C-N 3.34Å; F82-K84 PolarHBondContact O-N 3.28Å; K84-L86 PolarHBondContact O-N 2.92Å; K84-S87 PolarHBondContact O-N 3.2Å; K84-G88 PolarHBondContact O-N 3.45Å |
| 85 | S | 82.6 | Confident | 70.6 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.5 | -32.8 | 176.7 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | N81 F82 I83 | N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 3.37Å; F82-S85 PolarHBondContact O-N 3.4Å; F82-S85 PolarHBondContact O-OG 2.96Å; I83-S85 PolarHBondContact O-N 3.38Å |
| 86 | L | 82.9 | Confident | 69 | Low | 134 Ų | 134 | 105.6 Ų | 105.6 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.3 | -37.4 | 175.9 | -159.9 | 73.7 | 0 | 0 | 0 | 112.1 | F82 I83 K84 | F82-L86 PolarHBondContact O-N 3.46Å; I83-L86 WeakPolarHBondContact O-CB 3.32Å; I83-L86 PolarHBondContact O-N 2.93Å; K84-L86 PolarHBondContact O-N 2.92Å |
| 87 | S | 75.1 | Confident | 66.8 | Low | 91 Ų | 91 | 115.1 Ų | 115.1 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.1 | -22.4 | 178.5 | 167.1 | 0 | 0 | 0 | 0 | 114 | I83 K84 G89 | I83-S87 PolarHBondContact O-N 3.44Å; K84-S87 PolarHBondContact O-N 3.2Å; S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.98Å |
| 88 | G | 60.9 | Low | 66 | Low | 70 Ų | 70 | 113.1 Ų | 113.1 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 0.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | K84 | K84-G88 PolarHBondContact O-N 3.45Š|
| 89 | G | 58.7 | Low | 65 | Low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 18.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S87 | S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 2.98Å |
| 90 | S | 49.9 | Very low | 63.9 | Low | 103 Ų | 103 | 113.3 Ų | 113.3 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | -93.7 | 98.4 | 165.2 | 64.6 | 0 | 0 | 0 | 0 | 108.5 | A92 | S90-A92 PolarHBondContact O-N 2.99Š| ||
| 91 | G | 50.3 | Low | 62.6 | Low | 80 Ų | 80 | 111.6 Ų | 111.6 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -54.8 | 108.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G93 | G91-G93 PolarHBondContact O-N 2.82Š| ||
| 92 | A | 42.8 | Very low | 61.2 | Low | 97 Ų | 97 | 113.6 Ų | 113.6 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | -65.5 | 113.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | S90 D94 | S90-A92 PolarHBondContact O-N 2.99Å; A92-D94 PolarHBondContact O-N 3Å | ||
| 93 | G | 50.3 | Low | 59.7 | Low | 81 Ų | 81 | 111.9 Ų | 111.9 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | -57.7 | 110.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G91 G95 | G91-G93 PolarHBondContact O-N 2.82Å; G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.04Å; G93-G95 VanDerWaalsContact O-N 3.13Å | ||
| 94 | D | 40.1 | Very low | 57.8 | Low | 150 Ų | 150 | 112.6 Ų | 112.6 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -75.4 | 93.6 | 165.9 | -162.7 | 38.7 | 0 | 0 | 0 | 106.4 | A92 D96 | A92-D94 PolarHBondContact O-N 3Å; D94-D96 PolarHBondContact O-N 3.05Å | ||
| 95 | G | 49.1 | Very low | 55.9 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | -77.6 | 99.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | G93 | G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.04Å; G93-G95 VanDerWaalsContact O-N 3.13Å | ||
| 96 | D | 46.3 | Very low | 53.7 | Low | 142 Ų | 142 | 113.8 Ų | 113.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -165.7 | 96.8 | 155.2 | -99.9 | -24.2 | 0 | 0 | 0 | 110.4 | D94 | D94-D96 PolarHBondContact O-N 3.05Š| ||
| 97 | K | 38.1 | Very low | 51 | Low | 285 Ų | 285 | 112 Ų | 112 | 100% | 1.239 | 79% | 0.792 | S | S | * | * | trans | 176.6 | 0 | 138.1 | -97.3 | 168.1 | -170.9 | 164.6 | 0 | 111.6 |
Retrieved 97 of 97 residues in 178.1 ms
(Link to these results)