| 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 | 62 | Low | 86 | Confident | 212 Ų | 212 | 120.7 Ų | 120.7 | 100% | 1.044 | 61% | 0.611 | S | S | * | * | 0 | -7.5 | 0 | -65.6 | -176.7 | -173.9 | 0 | 0 | 114.2 | |||||
| 2 | G | 78.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 118.3 Ų | 118.3 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.7 | -34.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K4 I5 E6 | G2-K4 VanDerWaalsContact C-N 3.31Å; G2-K4 PolarHBondContact O-N 2.85Å; G2-I5 PolarHBondContact O-N 3.3Å; G2-I5 VanDerWaalsContact O-N 3.13Å; G2-E6 PolarHBondContact O-N 2.97Å |
| 3 | V | 83.9 | Confident | 86.9 | Confident | 111 Ų | 111 | 122.5 Ų | 122.5 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.5 | -37.9 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112.3 | I5 E6 V7 | V3-I5 VanDerWaalsContact C-N 3.32Å; V3-I5 PolarHBondContact O-N 3.05Å; V3-E6 PolarHBondContact O-N 3.32Å; V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.43Å |
| 4 | K | 85.8 | Confident | 87.1 | Confident | 178 Ų | 178 | 122.5 Ų | 122.5 | 77% | 0.774 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -36.7 | 178.3 | -63.1 | -173.7 | -179.9 | -173.3 | 0 | 112.1 | G2 F8 | G2-K4 VanDerWaalsContact C-N 3.31Å; G2-K4 PolarHBondContact O-N 2.85Å; K4-F8 WeakPolarHBondContact O-CB 3.36Å; K4-F8 PolarHBondContact O-N 3.35Å; K4-F8 VanDerWaalsContact O-N 3.12Å |
| 5 | I | 91.9 | Very high | 87.4 | Confident | 116 Ų | 116 | 117.9 Ų | 117.9 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.4 | -37.5 | 177.8 | -78.3 | 159.3 | 0 | 0 | 0 | 111 | G2 V3 F8 R9 | G2-I5 PolarHBondContact O-N 3.3Å; G2-I5 VanDerWaalsContact O-N 3.13Å; V3-I5 VanDerWaalsContact C-N 3.32Å; V3-I5 PolarHBondContact O-N 3.05Å; I5-F8 PolarHBondContact O-N 2.94Å; I5-R9 WeakPolarHBondContact O-CB 3.32Å; I5-R9 PolarHBondContact O-N 3.49Å |
| 6 | E | 90.3 | Very high | 87.6 | Confident | 102 Ų | 102 | 119 Ų | 119 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -42.7 | 177.9 | -171.4 | 150.9 | 88.3 | 0 | 0 | 112.3 | G2 V3 R9 M10 | G2-E6 PolarHBondContact O-N 2.97Å; V3-E6 PolarHBondContact O-N 3.32Å; E6-R9 PolarHBondContact O-N 3.3Å; E6-R9 IonicContact OE2-NH2 3.08Å; E6-R9 PolarHBondContact OE2-NH2 3.27Å; E6-M10 PolarHBondContact O-N 3.12Å |
| 7 | V | 89.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 115.9 Ų | 115.9 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.1 | -40.7 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | V3 R9 M10 M11 | V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.43Å; V7-R9 PolarHBondContact O-N 2.95Å; V7-M10 PolarHBondContact O-N 3.39Å; V7-M11 HydrophobicContact CG1-CE 4.01Å; V7-M11 PolarHBondContact O-N 3.01Å |
| 8 | F | 91.4 | Very high | 87.6 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 56% | 0.557 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.8 | -43.2 | 175 | 178.7 | -107.4 | 0 | 0 | 0 | 112.2 | K4 I5 M11 L12 | K4-F8 WeakPolarHBondContact O-CB 3.36Å; K4-F8 PolarHBondContact O-N 3.35Å; K4-F8 VanDerWaalsContact O-N 3.12Å; I5-F8 PolarHBondContact O-N 2.94Å; F8-M11 PolarHBondContact O-N 3.13Å; F8-L12 HydrophobicContact CD1-CD1 3.94Å; F8-L12 HydrophobicContact CE1-CD1 3.37Å; F8-L12 HydrophobicContact CE1-CG 4.26Å; F8-L12 HydrophobicContact CE2-CD1 4.44Å; F8-L12 HydrophobicContact CZ-CD1 3.66Å; F8-L12 HydrophobicContact CZ-CG 4.17Å; F8-L12 PolarHBondContact O-N 3.4Å |
| 9 | R | 90.4 | Very high | 87.6 | Confident | 118 Ų | 118 | 112.6 Ų | 112.6 | 45% | 0.445 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.2 | -41.2 | 176.8 | -176.7 | 178.2 | 60.5 | -175.5 | -5.8 | 111.9 | I5 E6 V7 L12 Y13 | I5-R9 WeakPolarHBondContact O-CB 3.32Å; I5-R9 PolarHBondContact O-N 3.49Å; E6-R9 PolarHBondContact O-N 3.3Å; E6-R9 IonicContact OE2-NH2 3.08Å; E6-R9 PolarHBondContact OE2-NH2 3.27Å; V7-R9 PolarHBondContact O-N 2.95Å; R9-L12 PolarHBondContact O-N 3.34Å; R9-Y13 HydrophobicContact CG-CD2 3.67Å; R9-Y13 HydrophobicContact CG-CE2 3.31Å; R9-Y13 WeakPolarHBondContact O-CD2 3.44Å; R9-Y13 PolarHBondContact O-N 3.45Å |
| 10 | M | 91.8 | Very high | 87.5 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62 | -42.6 | 173.2 | -83.4 | -179.7 | 138.8 | 0 | 0 | 112.1 | E6 V7 L12 Y13 L14 | E6-M10 PolarHBondContact O-N 3.12Å; V7-M10 PolarHBondContact O-N 3.39Å; M10-L12 PolarHBondContact O-N 3.43Å; M10-Y13 PolarHBondContact O-N 2.93Å; M10-L14 WeakPolarHBondContact O-CB 2.92Å; M10-L14 VanDerWaalsContact O-CG 3.3Å; M10-L14 WeakPolarHBondContact O-CG 3.11Å; M10-L14 PolarHBondContact O-N 2.59Å |
| 11 | M | 91 | Very high | 87.3 | Confident | 116 Ų | 116 | 114 Ų | 114 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -41.9 | 175.9 | -82.5 | -164.2 | -86.8 | 0 | 0 | 112.5 | V7 F8 L14 S15 | V7-M11 HydrophobicContact CG1-CE 4.01Å; V7-M11 PolarHBondContact O-N 3.01Å; F8-M11 PolarHBondContact O-N 3.13Å; M11-L14 PolarHBondContact O-N 2.84Å; M11-S15 WeakPolarHBondContact O-CB 3.36Å; M11-S15 PolarHBondContact O-N 3.35Å; M11-S15 PolarHBondContact O-OG 2.84Å |
| 12 | L | 92.2 | Very high | 88.2 | Confident | 91 Ų | 91 | 113.1 Ų | 113.1 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -46.4 | 175.6 | -81.2 | 172 | 0 | 0 | 0 | 111.7 | F8 R9 M10 L14 S15 F16 | F8-L12 HydrophobicContact CD1-CD1 3.94Å; F8-L12 HydrophobicContact CE1-CD1 3.37Å; F8-L12 HydrophobicContact CE1-CG 4.26Å; F8-L12 HydrophobicContact CE2-CD1 4.44Å; F8-L12 HydrophobicContact CZ-CD1 3.66Å; F8-L12 HydrophobicContact CZ-CG 4.17Å; F8-L12 PolarHBondContact O-N 3.4Å; R9-L12 PolarHBondContact O-N 3.34Å; M10-L12 PolarHBondContact O-N 3.43Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.97Å; L12-S15 PolarHBondContact O-OG 3.36Å; L12-F16 WeakPolarHBondContact O-CB 3.37Å; L12-F16 PolarHBondContact O-N 3.01Å |
| 13 | Y | 91.1 | Very high | 88.1 | Confident | 173 Ų | 173 | 115.8 Ų | 115.8 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.9 | -29 | -179.9 | -74.9 | -54.8 | 0 | 0 | 0 | 113.8 | R9 M10 P17 | R9-Y13 HydrophobicContact CG-CD2 3.67Å; R9-Y13 HydrophobicContact CG-CE2 3.31Å; R9-Y13 WeakPolarHBondContact O-CD2 3.44Å; R9-Y13 PolarHBondContact O-N 3.45Å; M10-Y13 PolarHBondContact O-N 2.93Å; Y13-P17 WeakPolarHBondContact O-CD 3.29Å; Y13-P17 WeakPolarHBondContact O-CG 3.44Å |
| 14 | L | 90.3 | Very high | 87.5 | Confident | 123 Ų | 123 | 114.3 Ų | 114.3 | 64% | 0.644 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -82.1 | -41.9 | 176.1 | -72.9 | 167.7 | 0 | 0 | 0 | 112.1 | M10 M11 L12 P17 V18 | M10-L14 WeakPolarHBondContact O-CB 2.92Å; M10-L14 VanDerWaalsContact O-CG 3.3Å; M10-L14 WeakPolarHBondContact O-CG 3.11Å; M10-L14 PolarHBondContact O-N 2.59Å; M11-L14 PolarHBondContact O-N 2.84Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.97Å; L14-P17 WeakPolarHBondContact O-CD 3.34Å; L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.23Å |
| 15 | S | 91.6 | Very high | 86.5 | Confident | 54 Ų | 54 | 111.4 Ų | 111.4 | 38% | 0.378 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71 | -36.9 | -179.7 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | M11 L12 V18 T19 | M11-S15 WeakPolarHBondContact O-CB 3.36Å; M11-S15 PolarHBondContact O-N 3.35Å; M11-S15 PolarHBondContact O-OG 2.84Å; L12-S15 PolarHBondContact O-OG 3.36Å; S15-V18 PolarHBondContact O-N 3.38Å; S15-T19 WeakPolarHBondContact O-CB 3.22Å; S15-T19 PolarHBondContact O-N 2.67Å; S15-T19 PolarHBondContact O-OG1 2.95Å |
| 16 | F | 89.6 | Confident | 84.9 | Confident | 135 Ų | 135 | 111.2 Ų | 111.2 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -53.3 | -59.1 | -178.7 | 178.9 | -95.7 | 0 | 0 | 0 | 113.8 | L12 V18 T19 M20 | L12-F16 WeakPolarHBondContact O-CB 3.37Å; L12-F16 PolarHBondContact O-N 3.01Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 2.99Å; F16-T19 PolarHBondContact O-N 2.9Å; F16-M20 HydrophobicContact CE1-SD 4.26Å; F16-M20 HydrophobicContact CZ-SD 4.07Å; F16-M20 WeakPolarHBondContact O-CB 3.18Å; F16-M20 PolarHBondContact O-N 3.45Å |
| 17 | P | 88.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 109 Ų | 109 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | -178.5 | 26.5 | -34.7 | 0 | 0 | 0 | 112.5 | Y13 L14 F21 | Y13-P17 WeakPolarHBondContact O-CD 3.29Å; Y13-P17 WeakPolarHBondContact O-CG 3.44Å; L14-P17 WeakPolarHBondContact O-CD 3.34Å; P17-F21 VanDerWaalsContact O-CB 3.23Å; P17-F21 WeakPolarHBondContact O-CB 3.43Å; P17-F21 PolarHBondContact O-N 3.49Å |
| 18 | V | 86.6 | Confident | 81.6 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 58% | 0.582 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L14 S15 F16 F21 W22 | L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.23Å; S15-V18 PolarHBondContact O-N 3.38Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 2.99Å; V18-F21 PolarHBondContact O-N 3.42Å; V18-W22 WeakPolarHBondContact O-CB 3.28Å; V18-W22 PolarHBondContact O-N 3.26Å |
| 19 | T | 88.6 | Confident | 79.7 | Confident | 72 Ų | 72 | 114.6 Ų | 114.6 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.5 | -40.3 | 178.7 | -39.3 | 0 | 0 | 0 | 0 | 110.6 | S15 F16 F21 W22 I23 | S15-T19 WeakPolarHBondContact O-CB 3.22Å; S15-T19 PolarHBondContact O-N 2.67Å; S15-T19 PolarHBondContact O-OG1 2.95Å; F16-T19 PolarHBondContact O-N 2.9Å; T19-F21 VanDerWaalsContact C-N 3.32Å; T19-F21 PolarHBondContact O-N 2.82Å; T19-W22 PolarHBondContact O-N 2.91Å; T19-I23 HydrophobicContact CG2-CD1 4.03Å; T19-I23 WeakPolarHBondContact O-CB 3.2Å; T19-I23 WeakPolarHBondContact O-CD1 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.91Å |
| 20 | M | 85.6 | Confident | 78 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -42 | 174.6 | -121.3 | -156.6 | 156.1 | 0 | 0 | 111.7 | F16 S24 | F16-M20 HydrophobicContact CE1-SD 4.26Å; F16-M20 HydrophobicContact CZ-SD 4.07Å; F16-M20 WeakPolarHBondContact O-CB 3.18Å; F16-M20 PolarHBondContact O-N 3.45Å; M20-S24 VanDerWaalsContact O-CB 3.27Å; M20-S24 WeakPolarHBondContact O-CB 3.3Å; M20-S24 PolarHBondContact O-N 3.34Å; M20-S24 PolarHBondContact O-OG 3.01Å |
| 21 | F | 81.8 | Confident | 76.2 | Confident | 145 Ų | 145 | 116.5 Ų | 116.5 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.3 | -42.3 | 175.5 | -175.1 | -99 | 0 | 0 | 0 | 111.4 | P17 V18 T19 S24 N25 | P17-F21 VanDerWaalsContact O-CB 3.23Å; P17-F21 WeakPolarHBondContact O-CB 3.43Å; P17-F21 PolarHBondContact O-N 3.49Å; V18-F21 PolarHBondContact O-N 3.42Å; T19-F21 VanDerWaalsContact C-N 3.32Å; T19-F21 PolarHBondContact O-N 2.82Å; F21-S24 PolarHBondContact O-N 3.33Å; F21-N25 WeakPolarHBondContact O-CB 3.27Å; F21-N25 PolarHBondContact O-N 2.92Å |
| 22 | W | 81.1 | Confident | 74.7 | Confident | 194 Ų | 194 | 117.5 Ų | 117.5 | 74% | 0.735 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -45.5 | 177.4 | -166.1 | -85.3 | 0 | 0 | 0 | 112.8 | V18 T19 N25 Q26 | V18-W22 WeakPolarHBondContact O-CB 3.28Å; V18-W22 PolarHBondContact O-N 3.26Å; T19-W22 PolarHBondContact O-N 2.91Å; W22-N25 PolarHBondContact O-N 3.47Å; W22-Q26 PolarHBondContact O-N 3.46Å |
| 23 | I | 77.3 | Confident | 73 | Confident | 108 Ų | 108 | 119.7 Ų | 119.7 | 55% | 0.554 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.1 | -42.6 | 176.1 | -68.3 | 160.9 | 0 | 0 | 0 | 110.7 | T19 N25 Q26 | T19-I23 HydrophobicContact CG2-CD1 4.03Å; T19-I23 WeakPolarHBondContact O-CB 3.2Å; T19-I23 WeakPolarHBondContact O-CD1 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.91Å; I23-N25 VanDerWaalsContact C-N 3.34Å; I23-Q26 VanDerWaalsContact O-CB 3.3Å; I23-Q26 WeakPolarHBondContact O-CB 3.42Å; I23-Q26 PolarHBondContact O-N 3.16Å |
| 24 | S | 69.6 | Low | 71.5 | Confident | 80 Ų | 80 | 115 Ų | 115 | 56% | 0.559 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.4 | -26.7 | -179.2 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | M20 F21 Q26 A27 | M20-S24 VanDerWaalsContact O-CB 3.27Å; M20-S24 WeakPolarHBondContact O-CB 3.3Å; M20-S24 PolarHBondContact O-N 3.34Å; M20-S24 PolarHBondContact O-OG 3.01Å; F21-S24 PolarHBondContact O-N 3.33Å; S24-Q26 PolarHBondContact O-N 3.4Å; S24-A27 PolarHBondContact O-N 2.95Å |
| 25 | N | 65.4 | Low | 70.1 | Confident | 117 Ų | 117 | 113.5 Ų | 113.5 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.9 | -14.8 | 175.1 | -163.3 | 38.4 | 0 | 0 | 0 | 112.2 | F21 W22 I23 A27 | F21-N25 WeakPolarHBondContact O-CB 3.27Å; F21-N25 PolarHBondContact O-N 2.92Å; W22-N25 PolarHBondContact O-N 3.47Å; I23-N25 VanDerWaalsContact C-N 3.34Å; N25-A27 PolarHBondContact O-N 3.46Å |
| 26 | Q | 59 | Low | 68.5 | Low | 111 Ų | 111 | 118 Ų | 118 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | trans | -75 | 33.3 | 168.1 | -148.3 | 178.3 | -15.3 | 0 | 0 | 112.1 | W22 I23 S24 E28 Y29 | W22-Q26 PolarHBondContact O-N 3.46Å; I23-Q26 VanDerWaalsContact O-CB 3.3Å; I23-Q26 WeakPolarHBondContact O-CB 3.42Å; I23-Q26 PolarHBondContact O-N 3.16Å; S24-Q26 PolarHBondContact O-N 3.4Å; Q26-E28 PolarHBondContact O-N 3.43Å; Q26-Y29 PolarHBondContact O-N 3.29Å; Q26-Y29 VanDerWaalsContact O-N 3.16Å | ||
| 27 | A | 55.3 | Low | 67.1 | Low | 55 Ų | 55 | 117.3 Ų | 117.3 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | 3.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S24 N25 Y29 F30 | S24-A27 PolarHBondContact O-N 2.95Å; N25-A27 PolarHBondContact O-N 3.46Å; A27-Y29 PolarHBondContact O-N 2.72Å; A27-F30 WeakPolarHBondContact O-CB 3.2Å; A27-F30 PolarHBondContact O-N 3.35Å |
| 28 | E | 55.1 | Low | 65.7 | Low | 162 Ų | 162 | 121 Ų | 121 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -26.6 | 162.3 | -158.7 | 167.9 | 97.4 | 0 | 0 | 111.7 | Q26 F30 E31 | Q26-E28 PolarHBondContact O-N 3.43Å; E28-F30 PolarHBondContact O-N 3.32Å; E28-E31 PolarHBondContact O-N 3.49Å |
| 29 | Y | 52.4 | Low | 64.4 | Low | 158 Ų | 158 | 124.6 Ų | 124.6 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -13.7 | 170.2 | -96.8 | -77.4 | 0 | 0 | 0 | 114.5 | Q26 A27 Y33 | Q26-Y29 PolarHBondContact O-N 3.29Å; Q26-Y29 VanDerWaalsContact O-N 3.16Å; A27-Y29 PolarHBondContact O-N 2.72Å; Y29-Y33 PolarHBondContact O-N 2.95Å |
| 30 | F | 53.1 | Low | 63 | Low | 134 Ų | 134 | 128.8 Ų | 128.8 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -79.2 | -22.5 | 177.6 | -123.9 | -90.5 | 0 | 0 | 0 | 112.1 | A27 E28 I34 | A27-F30 WeakPolarHBondContact O-CB 3.2Å; A27-F30 PolarHBondContact O-N 3.35Å; E28-F30 PolarHBondContact O-N 3.32Å; F30-I34 HydrophobicContact CD1-CD1 3.63Å; F30-I34 HydrophobicContact CD1-CG1 3.88Å; F30-I34 HydrophobicContact CE1-CD1 3.83Å; F30-I34 HydrophobicContact CE1-CG1 4.16Å; F30-I34 WeakPolarHBondContact O-CB 3.48Å; F30-I34 PolarHBondContact O-N 2.91Å; F30-I34 VanDerWaalsContact O-N 3.12Å |
| 31 | E | 55.6 | Low | 62 | Low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -48.7 | 173 | -74.1 | -162.6 | 162.1 | 0 | 0 | 110.9 | E28 Y33 V35 | E28-E31 PolarHBondContact O-N 3.49Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 2.9Å; E31-V35 WeakPolarHBondContact O-CB 3.14Å; E31-V35 WeakPolarHBondContact O-CG2 3.32Å; E31-V35 PolarHBondContact O-N 3.03Å |
| 32 | E | 58.6 | Low | 60.8 | Low | 138 Ų | 138 | 129.5 Ų | 129.5 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.1 | -39.2 | 179.9 | -75 | -164 | 167.4 | 0 | 0 | 112.5 | K36 | E32-K36 WeakPolarHBondContact O-CB 3.27Å; E32-K36 PolarHBondContact O-N 2.81Å |
| 33 | Y | 57.2 | Low | 59.8 | Low | 136 Ų | 136 | 124.3 Ų | 124.3 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.8 | -38.1 | -176.3 | -170.2 | -117 | 0 | 0 | 0 | 113.3 | Y29 E31 R37 | Y29-Y33 PolarHBondContact O-N 2.95Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 2.9Å; Y33-R37 VanDerWaalsContact O-CB 3.27Å; Y33-R37 WeakPolarHBondContact O-CB 3.06Å; Y33-R37 PolarHBondContact O-N 3.12Å; Y33-R37 PolarHBondContact OH-NH2 2.99Å |
| 34 | I | 59.3 | Low | 59 | Low | 76 Ų | 76 | 123.8 Ų | 123.8 | 39% | 0.39 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.2 | -37.8 | 173 | -67.5 | -169.5 | 0 | 0 | 0 | 111 | F30 R37 K38 | F30-I34 HydrophobicContact CD1-CD1 3.63Å; F30-I34 HydrophobicContact CD1-CG1 3.88Å; F30-I34 HydrophobicContact CE1-CD1 3.83Å; F30-I34 HydrophobicContact CE1-CG1 4.16Å; F30-I34 WeakPolarHBondContact O-CB 3.48Å; F30-I34 PolarHBondContact O-N 2.91Å; F30-I34 VanDerWaalsContact O-N 3.12Å; I34-R37 PolarHBondContact O-N 3.36Å; I34-K38 VanDerWaalsContact O-CB 3.3Å; I34-K38 WeakPolarHBondContact O-CB 3.36Å; I34-K38 PolarHBondContact O-N 3.45Å |
| 35 | V | 59.4 | Low | 58.6 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.8 | -41.1 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E31 R39 | E31-V35 WeakPolarHBondContact O-CB 3.14Å; E31-V35 WeakPolarHBondContact O-CG2 3.32Å; E31-V35 PolarHBondContact O-N 3.03Å; V35-R39 WeakPolarHBondContact O-CB 3.16Å; V35-R39 PolarHBondContact O-N 3.03Å |
| 36 | K | 58.5 | Low | 58.2 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.5 | -47.5 | 171.6 | -107.1 | 178.5 | 171.9 | 174.7 | 0 | 112.2 | E32 R39 E40 | E32-K36 WeakPolarHBondContact O-CB 3.27Å; E32-K36 PolarHBondContact O-N 2.81Å; K36-R39 CarbonylContact O-C 3.57Å; K36-R39 WeakPolarHBondContact O-CB 3.47Å; K36-R39 PolarHBondContact O-N 3.4Å; K36-R39 VanDerWaalsContact O-N 3.12Å; K36-E40 PolarHBondContact O-N 2.78Å |
| 37 | R | 59.8 | Low | 58.1 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 45% | 0.453 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | -179.1 | -165.2 | -168.3 | -69.4 | 175.5 | -15 | 112.2 | Y33 I34 R39 E40 I41 | Y33-R37 VanDerWaalsContact O-CB 3.27Å; Y33-R37 WeakPolarHBondContact O-CB 3.06Å; Y33-R37 PolarHBondContact O-N 3.12Å; Y33-R37 PolarHBondContact OH-NH2 2.99Å; I34-R37 PolarHBondContact O-N 3.36Å; R37-R39 VanDerWaalsContact C-N 3.28Å; R37-R39 PolarHBondContact O-N 2.9Å; R37-E40 PolarHBondContact O-N 3.4Å; R37-I41 HydrophobicContact CG-CD1 3.96Å; R37-I41 WeakPolarHBondContact O-CB 3.33Å; R37-I41 VanDerWaalsContact O-CG1 3.28Å; R37-I41 WeakPolarHBondContact O-CG1 3.28Å; R37-I41 PolarHBondContact O-N 2.93Å |
| 38 | K | 59.3 | Low | 58.4 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.3 | -37.9 | 171.3 | -100.8 | -168.6 | 172.5 | -174.7 | 0 | 111.3 | I34 F42 | I34-K38 VanDerWaalsContact O-CB 3.3Å; I34-K38 WeakPolarHBondContact O-CB 3.36Å; I34-K38 PolarHBondContact O-N 3.45Å; K38-F42 WeakPolarHBondContact O-CA 3.48Å; K38-F42 WeakPolarHBondContact O-CB 3.3Å; K38-F42 PolarHBondContact O-N 3.12Å |
| 39 | R | 60 | Low | 58.8 | Low | 171 Ų | 171 | 130 Ų | 130 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.6 | -26.4 | 179.9 | -169.1 | 176.8 | -172.2 | 172.3 | 2.7 | 113.9 | V35 K36 R37 F42 | V35-R39 WeakPolarHBondContact O-CB 3.16Å; V35-R39 PolarHBondContact O-N 3.03Å; K36-R39 CarbonylContact O-C 3.57Å; K36-R39 WeakPolarHBondContact O-CB 3.47Å; K36-R39 PolarHBondContact O-N 3.4Å; K36-R39 VanDerWaalsContact O-N 3.12Å; R37-R39 VanDerWaalsContact C-N 3.28Å; R37-R39 PolarHBondContact O-N 2.9Å; R39-F42 CarbonylContact C-O 3.59Å; R39-F42 CarbonylContact O-C 3.44Å; R39-F42 VanDerWaalsContact O-O 3.05Å |
| 40 | E | 60.2 | Low | 59.6 | Low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.2 | -39.1 | 170 | -83.7 | -179.9 | 93.8 | 0 | 0 | 112.3 | K36 R37 | K36-E40 PolarHBondContact O-N 2.78Å; R37-E40 PolarHBondContact O-N 3.4Å |
| 41 | I | 63.4 | Low | 60.7 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 60% | 0.595 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.2 | -36 | 179.3 | -64.8 | 169.2 | 0 | 0 | 0 | 111.5 | R37 P43 | R37-I41 HydrophobicContact CG-CD1 3.96Å; R37-I41 WeakPolarHBondContact O-CB 3.33Å; R37-I41 VanDerWaalsContact O-CG1 3.28Å; R37-I41 WeakPolarHBondContact O-CG1 3.28Å; R37-I41 PolarHBondContact O-N 2.93Å; I41-P43 WeakPolarHBondContact O-CD 3.36Å |
| 42 | F | 56.7 | Low | 61.8 | Low | 155 Ų | 155 | 128.3 Ų | 128.3 | 68% | 0.68 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -112.1 | 87.2 | 171.1 | -70.8 | -89.2 | 0 | 0 | 0 | 108.3 | K38 R39 | K38-F42 WeakPolarHBondContact O-CA 3.48Å; K38-F42 WeakPolarHBondContact O-CB 3.3Å; K38-F42 PolarHBondContact O-N 3.12Å; R39-F42 CarbonylContact C-O 3.59Å; R39-F42 CarbonylContact O-C 3.44Å; R39-F42 VanDerWaalsContact O-O 3.05Å |
| 43 | P | 59.7 | Low | 62.9 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | trans | -54.2 | 137.5 | 171.7 | 21.9 | -30.9 | 0 | 0 | 0 | 108.5 | I41 D45 | I41-P43 WeakPolarHBondContact O-CD 3.36Å; P43-D45 PolarHBondContact O-N 3.08Å | ||
| 44 | P | 62.3 | Low | 64.2 | Low | 97 Ų | 97 | 126.1 Ų | 126.1 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | trans | -71.7 | 65.2 | 175.2 | 29.8 | -33.4 | 0 | 0 | 0 | 109.6 | E46 | P44-E46 VanDerWaalsContact C-N 3.29Å; P44-E46 PolarHBondContact O-N 3.22Å | ||
| 45 | D | 59.3 | Low | 65.6 | Low | 80 Ų | 80 | 125.7 Ų | 125.7 | 43% | 0.428 | 59% | 0.59 | S | S | . | * | trans | -88.4 | 71 | 173.3 | -143.7 | -56 | 0 | 0 | 0 | 108.6 | P43 H49 | P43-D45 PolarHBondContact O-N 3.08Å; D45-H49 PolarHBondContact O-CD2 2.99Å | ||
| 46 | E | 57.9 | Low | 67 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | trans | -129.2 | 24.8 | 177.1 | -77.7 | -169.8 | 166.8 | 0 | 0 | 112.6 | P44 R50 | P44-E46 VanDerWaalsContact C-N 3.29Å; P44-E46 PolarHBondContact O-N 3.22Å; E46-R50 WeakPolarHBondContact O-CB 3.2Å | ||
| 47 | K | 57.8 | Low | 68.5 | Low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -98.9 | -42.4 | 162.3 | -69.3 | -170.9 | 179.9 | -177.4 | 0 | 111.9 | K51 | K47-K51 PolarHBondContact O-N 3.39Š|
| 48 | M | 60.4 | Low | 70.1 | Confident | 129 Ų | 129 | 126.9 Ų | 126.9 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.5 | -51.7 | 174.5 | -92.1 | -165.6 | 76.5 | 0 | 0 | 111.7 | R50 K51 E52 | M48-R50 PolarHBondContact O-N 3.2Å; M48-K51 PolarHBondContact O-N 3.34Å; M48-K51 VanDerWaalsContact O-N 3.07Å; M48-E52 WeakPolarHBondContact O-CG 3.49Å; M48-E52 PolarHBondContact O-N 2.92Å |
| 49 | H | 64.1 | Low | 71.6 | Confident | 100 Ų | 100 | 126.9 Ų | 126.9 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.5 | -32.3 | 179.9 | -71.7 | -38.8 | 0 | 0 | 0 | 113.7 | D45 E52 L53 | D45-H49 PolarHBondContact O-CD2 2.99Å; H49-E52 IonicContact CE1-OE2 3.84Å; H49-E52 IonicContact ND1-OE2 3.87Å; H49-E52 PolarHBondContact ND1-OE2 2.89Å; H49-E52 PolarHBondContact O-N 2.72Å; H49-L53 WeakPolarHBondContact O-CB 3.47Å; H49-L53 PolarHBondContact O-N 2.89Å |
| 50 | R | 68.9 | Low | 73.1 | Confident | 167 Ų | 167 | 123 Ų | 123 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -43.3 | 174.8 | -176 | 171.4 | 174.7 | 172.2 | 1.3 | 112 | E46 M48 L53 E54 | E46-R50 WeakPolarHBondContact O-CB 3.2Å; M48-R50 PolarHBondContact O-N 3.2Å; R50-L53 PolarHBondContact O-N 3.35Å; R50-E54 IonicContact CZ-OE1 3.04Å; R50-E54 IonicContact NE-OE1 3.93Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 VanDerWaalsContact NE-OE1 3.08Å; R50-E54 IonicContact NH2-OE1 2.85Å; R50-E54 WeakPolarHBondContact O-CB 3.48Å; R50-E54 WeakPolarHBondContact O-CG 3.33Å; R50-E54 PolarHBondContact O-N 3.44Å |
| 51 | K | 76.1 | Confident | 74.6 | Confident | 135 Ų | 135 | 122.2 Ų | 122.2 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -42.3 | 176.1 | -170.1 | 177.8 | 178.9 | -176.9 | 0 | 111.3 | K47 M48 L53 E54 D55 | K47-K51 PolarHBondContact O-N 3.39Å; M48-K51 PolarHBondContact O-N 3.34Å; M48-K51 VanDerWaalsContact O-N 3.07Å; K51-L53 VanDerWaalsContact C-N 3.34Å; K51-L53 PolarHBondContact O-N 3.37Å; K51-E54 PolarHBondContact O-N 2.99Å; K51-D55 WeakPolarHBondContact O-CB 3.47Å; K51-D55 VanDerWaalsContact O-CG 3.24Å; K51-D55 PolarHBondContact O-N 3.04Å |
| 52 | E | 79.4 | Confident | 75.9 | Confident | 101 Ų | 101 | 119.9 Ų | 119.9 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 176.7 | -67.2 | 179.9 | 136.3 | 0 | 0 | 112.7 | M48 H49 F56 | M48-E52 WeakPolarHBondContact O-CG 3.49Å; M48-E52 PolarHBondContact O-N 2.92Å; H49-E52 IonicContact CE1-OE2 3.84Å; H49-E52 IonicContact ND1-OE2 3.87Å; H49-E52 PolarHBondContact ND1-OE2 2.89Å; H49-E52 PolarHBondContact O-N 2.72Å; E52-F56 VanDerWaalsContact O-CB 3.29Å; E52-F56 WeakPolarHBondContact O-CB 3.41Å; E52-F56 PolarHBondContact O-N 2.88Å |
| 53 | L | 80.6 | Confident | 77.6 | Confident | 125 Ų | 125 | 119.4 Ų | 119.4 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.9 | -43.3 | 175.1 | -115.9 | 106.7 | 0 | 0 | 0 | 112.2 | H49 R50 K51 F56 K57 | H49-L53 WeakPolarHBondContact O-CB 3.47Å; H49-L53 PolarHBondContact O-N 2.89Å; R50-L53 PolarHBondContact O-N 3.35Å; K51-L53 VanDerWaalsContact C-N 3.34Å; K51-L53 PolarHBondContact O-N 3.37Å; L53-F56 PolarHBondContact O-N 2.93Å; L53-K57 WeakPolarHBondContact O-CB 3.38Å; L53-K57 PolarHBondContact O-N 3.45Å |
| 54 | E | 84.6 | Confident | 79 | Confident | 103 Ų | 103 | 123 Ų | 123 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -47.5 | 177.2 | -76.3 | 174.8 | -171.7 | 0 | 0 | 110.4 | R50 K51 F56 K57 E58 | R50-E54 IonicContact CZ-OE1 3.04Å; R50-E54 IonicContact NE-OE1 3.93Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 VanDerWaalsContact NE-OE1 3.08Å; R50-E54 IonicContact NH2-OE1 2.85Å; R50-E54 WeakPolarHBondContact O-CB 3.48Å; R50-E54 WeakPolarHBondContact O-CG 3.33Å; R50-E54 PolarHBondContact O-N 3.44Å; K51-E54 PolarHBondContact O-N 2.99Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.07Å; E54-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 PolarHBondContact O-N 3.4Å; E54-E58 PolarHBondContact O-N 3.32Å |
| 55 | D | 89.1 | Confident | 80.4 | Confident | 67 Ų | 67 | 123.2 Ų | 123.2 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -39.1 | 175.9 | -71.2 | -10.4 | 0 | 0 | 0 | 111.7 | K51 R59 | K51-D55 WeakPolarHBondContact O-CB 3.47Å; K51-D55 VanDerWaalsContact O-CG 3.24Å; K51-D55 PolarHBondContact O-N 3.04Å; D55-R59 WeakPolarHBondContact O-CG 3.42Å; D55-R59 PolarHBondContact O-N 3.46Å; D55-R59 VanDerWaalsContact O-N 3.11Å; D55-R59 PolarHBondContact O-NH1 3.21Å |
| 56 | F | 89.4 | Confident | 81.9 | Confident | 115 Ų | 115 | 127.7 Ų | 127.7 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | 175.9 | -178.9 | -101 | 0 | 0 | 0 | 112.2 | E52 L53 E54 E58 R59 M60 | E52-F56 VanDerWaalsContact O-CB 3.29Å; E52-F56 WeakPolarHBondContact O-CB 3.41Å; E52-F56 PolarHBondContact O-N 2.88Å; L53-F56 PolarHBondContact O-N 2.93Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.07Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-R59 PolarHBondContact O-N 3.13Å; F56-M60 HydrophobicContact CD1-CG 4.24Å; F56-M60 HydrophobicContact CE1-CG 3.79Å; F56-M60 HydrophobicContact CE2-CG 4.18Å; F56-M60 HydrophobicContact CZ-CG 3.76Å; F56-M60 HydrophobicContact CZ-SD 4.16Å; F56-M60 WeakPolarHBondContact O-CG 3.4Å; F56-M60 PolarHBondContact O-N 3.23Å |
| 57 | K | 90.6 | Very high | 83.4 | Confident | 164 Ų | 164 | 128.1 Ų | 128.1 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 178.3 | -173.2 | 179.2 | 179.8 | -178.3 | 0 | 111.3 | L53 E54 M60 R61 | L53-K57 WeakPolarHBondContact O-CB 3.38Å; L53-K57 PolarHBondContact O-N 3.45Å; E54-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 PolarHBondContact O-N 3.4Å; K57-M60 PolarHBondContact O-N 2.95Å; K57-R61 PolarHBondContact O-N 2.99Å |
| 58 | E | 92 | Very high | 85 | Confident | 106 Ų | 106 | 123.8 Ų | 123.8 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 176.5 | -171 | 168.2 | -149.9 | 0 | 0 | 111.5 | E54 F56 M60 R61 D62 | E54-E58 PolarHBondContact O-N 3.32Å; F56-E58 VanDerWaalsContact C-N 3.35Å; E58-M60 VanDerWaalsContact C-N 3.25Å; E58-M60 PolarHBondContact O-N 3.46Å; E58-R61 WeakPolarHBondContact O-CB 3.4Å; E58-R61 PolarHBondContact O-N 3.07Å; E58-D62 PolarHBondContact O-N 3.29Å |
| 59 | R | 91.9 | Very high | 86.4 | Confident | 143 Ų | 143 | 122.9 Ų | 122.9 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.5 | -38.4 | 175.7 | -72.9 | -169.9 | -59.1 | -92 | 5.7 | 113.1 | D55 F56 R63 | D55-R59 WeakPolarHBondContact O-CG 3.42Å; D55-R59 PolarHBondContact O-N 3.46Å; D55-R59 VanDerWaalsContact O-N 3.11Å; D55-R59 PolarHBondContact O-NH1 3.21Å; F56-R59 PolarHBondContact O-N 3.13Å; R59-R63 WeakPolarHBondContact O-CB 3.43Å; R59-R63 PolarHBondContact O-N 2.93Å |
| 60 | M | 90.8 | Very high | 87.6 | Confident | 89 Ų | 89 | 125.2 Ų | 125.2 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 178.6 | -74 | -63.3 | -72.5 | 0 | 0 | 112.3 | F56 K57 E58 K64 | F56-M60 HydrophobicContact CD1-CG 4.24Å; F56-M60 HydrophobicContact CE1-CG 3.79Å; F56-M60 HydrophobicContact CE2-CG 4.18Å; F56-M60 HydrophobicContact CZ-CG 3.76Å; F56-M60 HydrophobicContact CZ-SD 4.16Å; F56-M60 WeakPolarHBondContact O-CG 3.4Å; F56-M60 PolarHBondContact O-N 3.23Å; K57-M60 PolarHBondContact O-N 2.95Å; E58-M60 VanDerWaalsContact C-N 3.25Å; E58-M60 PolarHBondContact O-N 3.46Å; M60-K64 PolarHBondContact O-N 3.06Å |
| 61 | R | 91.3 | Very high | 88.6 | Confident | 144 Ų | 144 | 125.5 Ų | 125.5 | 54% | 0.543 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 174.6 | -173.6 | 174.6 | 69.8 | -177.7 | -0.2 | 110.9 | K57 E58 R63 K64 E65 | K57-R61 PolarHBondContact O-N 2.99Å; E58-R61 WeakPolarHBondContact O-CB 3.4Å; E58-R61 PolarHBondContact O-N 3.07Å; R61-R63 VanDerWaalsContact C-N 3.28Å; R61-R63 PolarHBondContact O-N 3.02Å; R61-K64 WeakPolarHBondContact O-CA 3.49Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.02Å; R61-E65 WeakPolarHBondContact CG-OE1 3.36Å; R61-E65 PolarHBondContact O-N 3.17Å |
| 62 | D | 91.6 | Very high | 89 | Confident | 68 Ų | 68 | 123 Ų | 123 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 178.4 | -82 | 20.5 | 0 | 0 | 0 | 112.2 | E58 K64 E65 R66 | E58-D62 PolarHBondContact O-N 3.29Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.22Å; D62-E65 PolarHBondContact O-N 3.42Å; D62-R66 WeakPolarHBondContact O-CB 3.33Å; D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.25Å; D62-R66 PolarHBondContact O-N 2.87Å |
| 63 | R | 90.9 | Very high | 89.4 | Confident | 145 Ų | 145 | 120.7 Ų | 120.7 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.9 | -173 | 178.3 | -70.4 | -178.4 | -3.3 | 111.7 | R59 R61 R67 | R59-R63 WeakPolarHBondContact O-CB 3.43Å; R59-R63 PolarHBondContact O-N 2.93Å; R61-R63 VanDerWaalsContact C-N 3.28Å; R61-R63 PolarHBondContact O-N 3.02Å; R63-R67 WeakPolarHBondContact O-CB 3.41Å; R63-R67 VanDerWaalsContact O-CG 3.28Å; R63-R67 WeakPolarHBondContact O-CG 3.47Å; R63-R67 PolarHBondContact O-N 3.47Å; R63-R67 VanDerWaalsContact O-N 3.13Å |
| 64 | K | 90.8 | Very high | 89.6 | Confident | 160 Ų | 160 | 120.1 Ų | 120.1 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.6 | -45.4 | 178 | -169.4 | -178.2 | 179.4 | -174.8 | 0 | 111 | M60 R61 D62 R67 L68 | M60-K64 PolarHBondContact O-N 3.06Å; R61-K64 WeakPolarHBondContact O-CA 3.49Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.02Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 3.22Å; K64-R67 PolarHBondContact O-N 3.39Å; K64-L68 PolarHBondContact O-N 3.03Å |
| 65 | E | 91 | Very high | 89.5 | Confident | 101 Ų | 101 | 120.1 Ų | 120.1 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 178 | -71.1 | 176.7 | -173.8 | 0 | 0 | 111.6 | R61 D62 R67 L68 L69 | R61-E65 WeakPolarHBondContact CG-OE1 3.36Å; R61-E65 PolarHBondContact O-N 3.17Å; D62-E65 PolarHBondContact O-N 3.42Å; E65-R67 VanDerWaalsContact C-N 3.29Å; E65-R67 PolarHBondContact O-N 3.11Å; E65-L68 PolarHBondContact O-N 3.4Å; E65-L68 VanDerWaalsContact O-N 3.13Å; E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 2.94Å |
| 66 | R | 90.3 | Very high | 89.2 | Confident | 174 Ų | 174 | 123.6 Ų | 123.6 | 66% | 0.657 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.1 | -37.6 | 174.7 | -72.3 | 175.3 | -176.8 | -109 | 3.2 | 112.9 | D62 K70 | D62-R66 WeakPolarHBondContact O-CB 3.33Å; D62-R66 VanDerWaalsContact O-CG 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.25Å; D62-R66 PolarHBondContact O-N 2.87Å; R66-K70 WeakPolarHBondContact O-CB 3.29Å; R66-K70 VanDerWaalsContact O-CG 3.32Å; R66-K70 WeakPolarHBondContact O-CG 3.43Å; R66-K70 PolarHBondContact O-N 3.44Å; R66-K70 VanDerWaalsContact O-N 3.08Å |
| 67 | R | 90.2 | Very high | 88.6 | Confident | 163 Ų | 163 | 121.2 Ų | 121.2 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68 | -39.2 | 175.8 | -78.7 | 176.3 | 177 | -172.9 | -1.3 | 111.8 | R63 K64 E65 R71 | R63-R67 WeakPolarHBondContact O-CB 3.41Å; R63-R67 VanDerWaalsContact O-CG 3.28Å; R63-R67 WeakPolarHBondContact O-CG 3.47Å; R63-R67 PolarHBondContact O-N 3.47Å; R63-R67 VanDerWaalsContact O-N 3.13Å; K64-R67 PolarHBondContact O-N 3.39Å; E65-R67 VanDerWaalsContact C-N 3.29Å; E65-R67 PolarHBondContact O-N 3.11Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.38Å; R67-R71 VanDerWaalsContact O-N 3.1Å |
| 68 | L | 90.9 | Very high | 87.6 | Confident | 101 Ų | 101 | 121.2 Ų | 121.2 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -47.7 | 177.3 | -172.3 | 68.6 | 0 | 0 | 0 | 110.9 | K64 E65 K70 R71 M72 | K64-L68 PolarHBondContact O-N 3.03Å; E65-L68 PolarHBondContact O-N 3.4Å; E65-L68 VanDerWaalsContact O-N 3.13Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.92Å; L68-R71 WeakPolarHBondContact O-CB 3.32Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-M72 HydrophobicContact CD2-CE 4.3Å; L68-M72 HydrophobicContact CG-CE 3.96Å; L68-M72 HydrophobicContact CG-SD 4.27Å; L68-M72 WeakPolarHBondContact O-CG 3.28Å; L68-M72 PolarHBondContact O-N 3.1Å |
| 69 | L | 89.3 | Confident | 86.4 | Confident | 109 Ų | 109 | 124.2 Ų | 124.2 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.5 | -43.3 | 176.2 | -72.6 | 166 | 0 | 0 | 0 | 112.1 | E65 R71 M72 A73 | E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 2.94Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.23Å; L69-M72 HydrophobicContact CD2-CE 3.82Å; L69-M72 HydrophobicContact CG-CE 4.35Å; L69-M72 PolarHBondContact O-N 3.45Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.08Å |
| 70 | K | 89.9 | Confident | 84.5 | Confident | 150 Ų | 150 | 128.6 Ų | 128.6 | 65% | 0.652 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.2 | -38.4 | 174.9 | -76.9 | -177.5 | 178.8 | -166.3 | 0 | 112.9 | R66 L68 L74 | R66-K70 WeakPolarHBondContact O-CB 3.29Å; R66-K70 VanDerWaalsContact O-CG 3.32Å; R66-K70 WeakPolarHBondContact O-CG 3.43Å; R66-K70 PolarHBondContact O-N 3.44Å; R66-K70 VanDerWaalsContact O-N 3.08Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.92Å; K70-L74 WeakPolarHBondContact O-CB 3.48Å; K70-L74 WeakPolarHBondContact O-CD1 3.39Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.28Å; K70-L74 PolarHBondContact O-N 2.97Å; K70-L74 VanDerWaalsContact O-N 3.11Å |
| 71 | R | 89 | Confident | 84.1 | Confident | 173 Ų | 173 | 130.6 Ų | 130.6 | 65% | 0.653 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.8 | -45 | 176.3 | -75.1 | 179.1 | 178.4 | -168.4 | -3.2 | 111.5 | R67 L68 L69 A73 L74 E75 | R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.38Å; R67-R71 VanDerWaalsContact O-N 3.1Å; L68-R71 WeakPolarHBondContact O-CB 3.32Å; L68-R71 PolarHBondContact O-N 2.9Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.23Å; R71-A73 PolarHBondContact O-N 3.13Å; R71-L74 PolarHBondContact O-N 3.07Å; R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.4Å |
| 72 | M | 86 | Confident | 83.8 | Confident | 81 Ų | 81 | 129.8 Ų | 129.8 | 40% | 0.399 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -42.1 | 177.8 | -67 | -175.5 | -59.7 | 0 | 0 | 111.6 | L68 L69 L74 E75 E76 | L68-M72 HydrophobicContact CD2-CE 4.3Å; L68-M72 HydrophobicContact CG-CE 3.96Å; L68-M72 HydrophobicContact CG-SD 4.27Å; L68-M72 WeakPolarHBondContact O-CG 3.28Å; L68-M72 PolarHBondContact O-N 3.1Å; L69-M72 HydrophobicContact CD2-CE 3.82Å; L69-M72 HydrophobicContact CG-CE 4.35Å; L69-M72 PolarHBondContact O-N 3.45Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.37Å; M72-E75 PolarHBondContact O-N 2.98Å; M72-E76 WeakPolarHBondContact O-CG 3.46Å; M72-E76 PolarHBondContact O-N 3.26Å |
| 73 | A | 86.3 | Confident | 83.3 | Confident | 53 Ų | 53 | 133.3 Ų | 133.3 | 44% | 0.438 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65 | -35.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L69 R71 A77 | L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.08Å; R71-A73 PolarHBondContact O-N 3.13Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.91Å |
| 74 | L | 86.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 132.6 Ų | 132.6 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.5 | -42.5 | 173.2 | -74.3 | 164.9 | 0 | 0 | 0 | 111.3 | K70 R71 M72 E76 A77 E78 | K70-L74 WeakPolarHBondContact O-CB 3.48Å; K70-L74 WeakPolarHBondContact O-CD1 3.39Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.28Å; K70-L74 PolarHBondContact O-N 2.97Å; K70-L74 VanDerWaalsContact O-N 3.11Å; R71-L74 PolarHBondContact O-N 3.07Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.37Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 PolarHBondContact O-N 3.42Å; L74-A77 PolarHBondContact O-N 3.12Å; L74-E78 WeakPolarHBondContact O-CG 3.24Å; L74-E78 PolarHBondContact O-N 3.34Å |
| 75 | E | 82.8 | Confident | 82.4 | Confident | 103 Ų | 103 | 130.9 Ų | 130.9 | 48% | 0.481 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -30 | 176.6 | -73.6 | 177.8 | -165.1 | 0 | 0 | 113.2 | R71 M72 K79 | R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.4Å; M72-E75 PolarHBondContact O-N 2.98Å; E75-K79 WeakPolarHBondContact O-CD 3.41Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.49Å |
| 76 | E | 81.1 | Confident | 81.8 | Confident | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.6 | -42.7 | 172.2 | -77.9 | -179.9 | 163.6 | 0 | 0 | 111.4 | M72 L74 E78 K79 E80 | M72-E76 WeakPolarHBondContact O-CG 3.46Å; M72-E76 PolarHBondContact O-N 3.26Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 PolarHBondContact O-N 3.42Å; E76-E78 VanDerWaalsContact C-N 3.29Å; E76-E78 PolarHBondContact O-N 3.48Å; E76-K79 PolarHBondContact O-N 3.06Å; E76-K79 VanDerWaalsContact O-N 3.12Å; E76-E80 PolarHBondContact O-N 3.11Å |
| 77 | A | 76.9 | Confident | 81.2 | Confident | 65 Ų | 65 | 129.9 Ų | 129.9 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.7 | -24 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A73 L74 K79 | A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.91Å; L74-A77 PolarHBondContact O-N 3.12Å; A77-K79 VanDerWaalsContact C-N 3.35Å |
| 78 | E | 70.6 | Confident | 80.5 | Confident | 164 Ų | 164 | 127.4 Ų | 127.4 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -10.9 | 172.3 | -76.8 | -175 | 157.6 | 0 | 0 | 113.4 | L74 E76 | L74-E78 WeakPolarHBondContact O-CG 3.24Å; L74-E78 PolarHBondContact O-N 3.34Å; E76-E78 VanDerWaalsContact C-N 3.29Å; E76-E78 PolarHBondContact O-N 3.48Å |
| 79 | K | 66 | Low | 79.7 | Confident | 170 Ų | 170 | 129.6 Ų | 129.6 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -14.5 | 179.4 | -76.1 | 175.1 | -168.1 | 171.2 | 0 | 114.1 | E75 E76 A77 | E75-K79 WeakPolarHBondContact O-CD 3.41Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.49Å; E76-K79 PolarHBondContact O-N 3.06Å; E76-K79 VanDerWaalsContact O-N 3.12Å; A77-K79 VanDerWaalsContact C-N 3.35Å |
| 80 | E | 52.1 | Low | 78.8 | Confident | 234 Ų | 234 | 131.5 Ų | 131.5 | 100% | 1.093 | 64% | 0.637 | S | S | * | * | trans | -84.1 | 0 | 165.6 | -81.6 | -166.9 | 133.3 | 0 | 0 | 111.6 | E76 | E76-E80 PolarHBondContact O-N 3.11Š|
Retrieved 80 of 80 residues in 63.1 ms
(Link to these results)