| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.7 | Very low | 73.2 | Confident | 243 Ų | 243 | 125.1 Ų | 125.1 | 100% | 1.197 | 65% | 0.645 | S | S | * | * | 0 | 112.1 | 0 | -64.2 | 172.6 | -179.5 | 0 | 0 | 106.3 | |||||
| 2 | L | 53.6 | Low | 74.9 | Confident | 176 Ų | 176 | 123.3 Ų | 123.3 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -73.9 | 130.6 | -176.2 | -74.8 | 162.2 | 0 | 0 | 0 | 109.6 | ||||
| 3 | P | 61.1 | Low | 76.4 | Confident | 83 Ų | 83 | 122.8 Ų | 122.8 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -64.9 | 134.7 | 178.9 | 22.9 | -31.5 | 0 | 0 | 0 | 111.6 | W5 | P3-W5 HydrophobicContact CB-CG 4.42Å; P3-W5 VanDerWaalsContact CB-NE1 3.32Å; P3-W5 VanDerWaalsContact CG-CD1 3.46Å; P3-W5 PolarHBondContact O-N 2.93Å | ||
| 4 | N | 65.6 | Low | 77.7 | Confident | 91 Ų | 91 | 119.1 Ų | 119.1 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | trans | -81.1 | 58 | -175.4 | -168.7 | -1 | 0 | 0 | 0 | 111.9 | S6 N7 | N4-S6 VanDerWaalsContact C-N 3.28Å; N4-S6 PolarHBondContact O-N 3.07Å; N4-S6 PolarHBondContact OD1-OG 2.83Å; N4-N7 PolarHBondContact ND2-ND2 3.17Å; N4-N7 PolarHBondContact O-N 3.44Å; N4-N7 WeakPolarHBondContact OD1-CB 3.48Å; N4-N7 PolarHBondContact OD1-N 2.87Å; N4-N7 PolarHBondContact OD1-ND2 2.78Å; N4-N7 PolarHBondContact OD1-OD1 3.31Å | ||
| 5 | W | 70.5 | Confident | 78.9 | Confident | 171 Ų | 171 | 115.5 Ų | 115.5 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | -177.4 | -69.8 | 110.4 | 0 | 0 | 0 | 113.1 | P3 N7 M8 T9 | P3-W5 HydrophobicContact CB-CG 4.42Å; P3-W5 VanDerWaalsContact CB-NE1 3.32Å; P3-W5 VanDerWaalsContact CG-CD1 3.46Å; P3-W5 PolarHBondContact O-N 2.93Å; W5-N7 VanDerWaalsContact C-N 3.32Å; W5-N7 PolarHBondContact O-N 2.6Å; W5-M8 HydrophobicContact CE3-SD 4.26Å; W5-M8 HydrophobicContact CZ3-SD 4.34Å; W5-M8 PolarHBondContact O-N 2.8Å; W5-T9 PolarHBondContact O-N 3.4Å; W5-T9 PolarHBondContact O-OG1 3.04Å; W5-T9 VanDerWaalsContact O-OG1 3.13Å |
| 6 | S | 72.2 | Confident | 79.9 | Confident | 74 Ų | 74 | 114.7 Ų | 114.7 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.5 | -42.3 | 177.5 | 52 | 0 | 0 | 0 | 0 | 112 | N4 M8 T9 L10 | N4-S6 VanDerWaalsContact C-N 3.28Å; N4-S6 PolarHBondContact O-N 3.07Å; N4-S6 PolarHBondContact OD1-OG 2.83Å; S6-M8 VanDerWaalsContact C-N 3.33Å; S6-M8 PolarHBondContact O-N 3.34Å; S6-T9 PolarHBondContact O-N 3.12Å; S6-L10 WeakPolarHBondContact O-CB 3.47Å; S6-L10 VanDerWaalsContact O-CG 3.27Å; S6-L10 WeakPolarHBondContact O-CG 3.42Å; S6-L10 PolarHBondContact O-N 3.35Å; S6-L10 VanDerWaalsContact O-N 3.07Å |
| 7 | N | 81.9 | Confident | 80.9 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.6 | -32.2 | 179.2 | -74.6 | 5.8 | 0 | 0 | 0 | 112.3 | N4 W5 H11 | N4-N7 PolarHBondContact ND2-ND2 3.17Å; N4-N7 PolarHBondContact O-N 3.44Å; N4-N7 WeakPolarHBondContact OD1-CB 3.48Å; N4-N7 PolarHBondContact OD1-N 2.87Å; N4-N7 PolarHBondContact OD1-ND2 2.78Å; N4-N7 PolarHBondContact OD1-OD1 3.31Å; W5-N7 VanDerWaalsContact C-N 3.32Å; W5-N7 PolarHBondContact O-N 2.6Å; N7-H11 WeakPolarHBondContact O-CB 3.25Å; N7-H11 PolarHBondContact O-N 2.99Å; N7-H11 VanDerWaalsContact O-N 3.17Å |
| 8 | M | 84.6 | Confident | 81.8 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.9 | -45.8 | 174.8 | -73 | -178.1 | 170 | 0 | 0 | 111.6 | W5 S6 L10 H11 L12 | W5-M8 HydrophobicContact CE3-SD 4.26Å; W5-M8 HydrophobicContact CZ3-SD 4.34Å; W5-M8 PolarHBondContact O-N 2.8Å; S6-M8 VanDerWaalsContact C-N 3.33Å; S6-M8 PolarHBondContact O-N 3.34Å; M8-L10 PolarHBondContact O-N 3.25Å; M8-H11 PolarHBondContact O-N 3.41Å; M8-L12 WeakPolarHBondContact O-CB 3.4Å; M8-L12 VanDerWaalsContact O-CG 3.26Å; M8-L12 WeakPolarHBondContact O-CG 3.21Å; M8-L12 PolarHBondContact O-N 3.32Å |
| 9 | T | 90.4 | Very high | 82.6 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -44.4 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | W5 S6 H11 L12 E13 | W5-T9 PolarHBondContact O-N 3.4Å; W5-T9 PolarHBondContact O-OG1 3.04Å; W5-T9 VanDerWaalsContact O-OG1 3.13Å; S6-T9 PolarHBondContact O-N 3.12Å; T9-H11 PolarHBondContact O-N 3.04Å; T9-L12 PolarHBondContact O-N 3.49Å; T9-E13 WeakPolarHBondContact O-CB 3.47Å; T9-E13 PolarHBondContact O-N 3.05Å |
| 10 | L | 87.8 | Confident | 83.3 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 177.7 | -71.1 | 170.3 | 0 | 0 | 0 | 112.3 | S6 M8 E13 D14 | S6-L10 WeakPolarHBondContact O-CB 3.47Å; S6-L10 VanDerWaalsContact O-CG 3.27Å; S6-L10 WeakPolarHBondContact O-CG 3.42Å; S6-L10 PolarHBondContact O-N 3.35Å; S6-L10 VanDerWaalsContact O-N 3.07Å; M8-L10 PolarHBondContact O-N 3.25Å; L10-E13 PolarHBondContact O-N 2.99Å; L10-D14 PolarHBondContact O-N 2.88Å |
| 11 | H | 91.4 | Very high | 84 | Confident | 134 Ų | 134 | 107.9 Ų | 107.9 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -35.5 | 178 | -169.5 | -94.5 | 0 | 0 | 0 | 112.3 | N7 M8 T9 S15 | N7-H11 WeakPolarHBondContact O-CB 3.25Å; N7-H11 PolarHBondContact O-N 2.99Å; N7-H11 VanDerWaalsContact O-N 3.17Å; M8-H11 PolarHBondContact O-N 3.41Å; T9-H11 PolarHBondContact O-N 3.04Å; H11-S15 VanDerWaalsContact O-CB 3.31Å; H11-S15 WeakPolarHBondContact O-CB 3.34Å; H11-S15 PolarHBondContact O-N 3.37Å |
| 12 | L | 93.8 | Very high | 86.4 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 173.6 | -75.1 | 167.9 | 0 | 0 | 0 | 111.4 | M8 T9 S15 L16 | M8-L12 WeakPolarHBondContact O-CB 3.4Å; M8-L12 VanDerWaalsContact O-CG 3.26Å; M8-L12 WeakPolarHBondContact O-CG 3.21Å; M8-L12 PolarHBondContact O-N 3.32Å; T9-L12 PolarHBondContact O-N 3.49Å; L12-S15 PolarHBondContact O-N 3.28Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.41Å |
| 13 | E | 94.7 | Very high | 88.4 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.2 | -175.8 | -173.7 | 162.5 | 0 | 0 | 111.6 | T9 L10 S15 L16 T17 | T9-E13 WeakPolarHBondContact O-CB 3.47Å; T9-E13 PolarHBondContact O-N 3.05Å; L10-E13 PolarHBondContact O-N 2.99Å; E13-S15 PolarHBondContact O-N 2.75Å; E13-L16 PolarHBondContact O-N 3.35Å; E13-T17 VanDerWaalsContact O-CB 3.24Å; E13-T17 WeakPolarHBondContact O-CB 3.5Å; E13-T17 PolarHBondContact O-N 3.09Å; E13-T17 PolarHBondContact O-OG1 2.94Å |
| 14 | D | 94.7 | Very high | 90.1 | Very high | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.9 | -176.2 | 55.3 | 0 | 0 | 0 | 111.4 | L10 R18 | L10-D14 PolarHBondContact O-N 2.88Å; D14-R18 WeakPolarHBondContact O-CB 3.21Å; D14-R18 WeakPolarHBondContact O-CG 3.41Å; D14-R18 PolarHBondContact O-N 3.06Å; D14-R18 IonicContact OD1-CZ 3.28Å; D14-R18 IonicContact OD1-NE 2.99Å; D14-R18 PolarHBondContact OD1-NE 3.42Å; D14-R18 IonicContact OD1-NH2 2.99Å; D14-R18 PolarHBondContact OD1-NH2 3.32Å; D14-R18 IonicContact OD2-CZ 3.75Å; D14-R18 VanDerWaalsContact OD2-CZ 3.28Å; D14-R18 IonicContact OD2-NE 3.04Å; D14-R18 PolarHBondContact OD2-NE 2.99Å; D14-R18 IonicContact OD2-NH2 3.41Å; D14-R18 PolarHBondContact OD2-NH2 3.45Å |
| 15 | S | 94.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | H11 L12 E13 R18 A19 | H11-S15 VanDerWaalsContact O-CB 3.31Å; H11-S15 WeakPolarHBondContact O-CB 3.34Å; H11-S15 PolarHBondContact O-N 3.37Å; L12-S15 PolarHBondContact O-N 3.28Å; E13-S15 PolarHBondContact O-N 2.75Å; S15-R18 PolarHBondContact O-N 3.23Å; S15-A19 WeakPolarHBondContact O-CB 3.44Å; S15-A19 PolarHBondContact O-N 3.45Å |
| 16 | L | 96.2 | Very high | 92.6 | Very high | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 179.1 | -73.2 | 171.5 | 0 | 0 | 0 | 111.5 | L12 E13 R18 A19 L20 | L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.41Å; E13-L16 PolarHBondContact O-N 3.35Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.83Å; L16-A19 PolarHBondContact O-N 2.9Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.26Å; L16-L20 PolarHBondContact O-N 3.48Å |
| 17 | T | 97.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | E13 G21 | E13-T17 VanDerWaalsContact O-CB 3.24Å; E13-T17 WeakPolarHBondContact O-CB 3.5Å; E13-T17 PolarHBondContact O-N 3.09Å; E13-T17 PolarHBondContact O-OG1 2.94Å; T17-G21 PolarHBondContact O-N 3.16Å |
| 18 | R | 96.8 | Very high | 94.1 | Very high | 150 Ų | 150 | 100.2 Ų | 100.2 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -46 | 176.8 | -70.3 | 173 | -167.9 | -130.7 | 8.4 | 112.6 | D14 S15 L16 G21 H22 | D14-R18 WeakPolarHBondContact O-CB 3.21Å; D14-R18 WeakPolarHBondContact O-CG 3.41Å; D14-R18 PolarHBondContact O-N 3.06Å; D14-R18 IonicContact OD1-CZ 3.28Å; D14-R18 IonicContact OD1-NE 2.99Å; D14-R18 PolarHBondContact OD1-NE 3.42Å; D14-R18 IonicContact OD1-NH2 2.99Å; D14-R18 PolarHBondContact OD1-NH2 3.32Å; D14-R18 IonicContact OD2-CZ 3.75Å; D14-R18 VanDerWaalsContact OD2-CZ 3.28Å; D14-R18 IonicContact OD2-NE 3.04Å; D14-R18 PolarHBondContact OD2-NE 2.99Å; D14-R18 IonicContact OD2-NH2 3.41Å; D14-R18 PolarHBondContact OD2-NH2 3.45Å; S15-R18 PolarHBondContact O-N 3.23Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.83Å; R18-G21 PolarHBondContact O-N 2.84Å; R18-H22 PolarHBondContact O-CD2 3.17Å; R18-H22 PolarHBondContact O-N 3.4Å |
| 19 | A | 96.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S15 L16 Y23 | S15-A19 WeakPolarHBondContact O-CB 3.44Å; S15-A19 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 2.9Å; A19-Y23 WeakPolarHBondContact O-CB 3.46Å; A19-Y23 PolarHBondContact O-N 2.99Å |
| 20 | L | 96.8 | Very high | 94.2 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.5 | -70.3 | 172.6 | 0 | 0 | 0 | 111.6 | L16 H22 Y23 L24 | L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.26Å; L16-L20 PolarHBondContact O-N 3.48Å; L20-H22 PolarHBondContact O-N 2.85Å; L20-Y23 PolarHBondContact O-N 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 VanDerWaalsContact O-CG 3.32Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.96Å |
| 21 | G | 96.7 | Very high | 94 | Very high | 29 Ų | 29 | 100.7 Ų | 100.7 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.4 | -50.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T17 R18 Y23 L24 D25 | T17-G21 PolarHBondContact O-N 3.16Å; R18-G21 PolarHBondContact O-N 2.84Å; G21-Y23 PolarHBondContact O-N 3.25Å; G21-L24 PolarHBondContact O-N 2.86Å; G21-D25 WeakPolarHBondContact O-CB 3.47Å; G21-D25 VanDerWaalsContact O-CG 3.29Å; G21-D25 PolarHBondContact O-N 2.91Å |
| 22 | H | 96.7 | Very high | 93.6 | Very high | 121 Ų | 121 | 96.5 Ų | 96.5 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 177.3 | -75.4 | -50.7 | 0 | 0 | 0 | 113.4 | R18 L20 N26 | R18-H22 PolarHBondContact O-CD2 3.17Å; R18-H22 PolarHBondContact O-N 3.4Å; L20-H22 PolarHBondContact O-N 2.85Å; H22-N26 VanDerWaalsContact O-CB 3.28Å; H22-N26 WeakPolarHBondContact O-CB 3.35Å; H22-N26 PolarHBondContact O-N 3.37Å; H22-N26 PolarHBondContact O-ND2 3.16Å; H22-N26 VanDerWaalsContact O-ND2 3.12Å |
| 23 | Y | 96.2 | Very high | 92.9 | Very high | 152 Ų | 152 | 98.5 Ų | 98.5 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 176.3 | 174.8 | -99.2 | 0 | 0 | 0 | 111.5 | A19 L20 G21 N26 W27 | A19-Y23 WeakPolarHBondContact O-CB 3.46Å; A19-Y23 PolarHBondContact O-N 2.99Å; L20-Y23 PolarHBondContact O-N 3.26Å; G21-Y23 PolarHBondContact O-N 3.25Å; Y23-N26 PolarHBondContact O-N 2.91Å; Y23-W27 VanDerWaalsContact O-CB 3.3Å; Y23-W27 WeakPolarHBondContact O-CB 3.34Å; Y23-W27 PolarHBondContact O-N 3.41Å |
| 24 | L | 95.7 | Very high | 92.2 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 179.9 | -69.7 | 174.2 | 0 | 0 | 0 | 112 | L20 G21 W27 S28 | L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 VanDerWaalsContact O-CG 3.32Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.96Å; G21-L24 PolarHBondContact O-N 2.86Å; L24-W27 PolarHBondContact O-N 3.29Å; L24-S28 VanDerWaalsContact O-CB 3.26Å; L24-S28 WeakPolarHBondContact O-CB 3.21Å; L24-S28 PolarHBondContact O-N 3.11Å |
| 25 | D | 95.4 | Very high | 91.3 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.2 | -77.9 | -15.6 | 0 | 0 | 0 | 111.7 | G21 S28 R29 | G21-D25 WeakPolarHBondContact O-CB 3.47Å; G21-D25 VanDerWaalsContact O-CG 3.29Å; G21-D25 PolarHBondContact O-N 2.91Å; D25-S28 PolarHBondContact O-N 2.88Å; D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 VanDerWaalsContact O-CG 3.27Å; D25-R29 WeakPolarHBondContact O-CG 3.44Å; D25-R29 PolarHBondContact O-N 2.98Å |
| 26 | N | 94.9 | Very high | 90.6 | Very high | 99 Ų | 99 | 100.4 Ų | 100.4 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 177.9 | -73.2 | -24.3 | 0 | 0 | 0 | 111.5 | H22 Y23 N30 | H22-N26 VanDerWaalsContact O-CB 3.28Å; H22-N26 WeakPolarHBondContact O-CB 3.35Å; H22-N26 PolarHBondContact O-N 3.37Å; H22-N26 PolarHBondContact O-ND2 3.16Å; H22-N26 VanDerWaalsContact O-ND2 3.12Å; Y23-N26 PolarHBondContact O-N 2.91Å; N26-N30 WeakPolarHBondContact O-CB 3.36Å; N26-N30 PolarHBondContact O-N 2.83Å |
| 27 | W | 93.4 | Very high | 89.7 | Confident | 158 Ų | 158 | 98.3 Ų | 98.3 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -47.9 | 175.4 | 176.3 | 81.4 | 0 | 0 | 0 | 111.4 | Y23 L24 R29 N30 S31 | Y23-W27 VanDerWaalsContact O-CB 3.3Å; Y23-W27 WeakPolarHBondContact O-CB 3.34Å; Y23-W27 PolarHBondContact O-N 3.41Å; L24-W27 PolarHBondContact O-N 3.29Å; W27-R29 PolarHBondContact O-N 3.49Å; W27-N30 PolarHBondContact O-N 3.38Å; W27-N30 VanDerWaalsContact O-N 3.17Å; W27-S31 WeakPolarHBondContact O-CB 3.26Å; W27-S31 PolarHBondContact O-N 3.12Å |
| 28 | S | 91.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 98.6 Ų | 98.6 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -50.3 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L24 D25 N30 S31 S32 | L24-S28 VanDerWaalsContact O-CB 3.26Å; L24-S28 WeakPolarHBondContact O-CB 3.21Å; L24-S28 PolarHBondContact O-N 3.11Å; D25-S28 PolarHBondContact O-N 2.88Å; S28-N30 VanDerWaalsContact C-N 3.28Å; S28-N30 PolarHBondContact O-N 3.4Å; S28-S31 PolarHBondContact O-N 2.98Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S28-S32 PolarHBondContact O-N 3.47Å; S28-S32 PolarHBondContact O-OG 3.48Å; S28-S32 VanDerWaalsContact O-OG 3.11Å |
| 29 | R | 88.6 | Confident | 87.6 | Confident | 168 Ų | 168 | 95.8 Ų | 95.8 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -34.4 | 177.2 | -71.7 | 173.7 | -176.8 | -178.6 | 2.9 | 113.1 | D25 W27 K33 | D25-R29 WeakPolarHBondContact O-CB 3.48Å; D25-R29 VanDerWaalsContact O-CG 3.27Å; D25-R29 WeakPolarHBondContact O-CG 3.44Å; D25-R29 PolarHBondContact O-N 2.98Å; W27-R29 PolarHBondContact O-N 3.49Å; R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 3.12Å |
| 30 | N | 87.1 | Confident | 86.6 | Confident | 115 Ų | 115 | 99 Ų | 99 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.2 | -44.2 | 175.8 | -166.6 | -4.9 | 0 | 0 | 0 | 111 | N26 W27 S28 S32 K33 A34 | N26-N30 WeakPolarHBondContact O-CB 3.36Å; N26-N30 PolarHBondContact O-N 2.83Å; W27-N30 PolarHBondContact O-N 3.38Å; W27-N30 VanDerWaalsContact O-N 3.17Å; S28-N30 VanDerWaalsContact C-N 3.28Å; S28-N30 PolarHBondContact O-N 3.4Å; N30-S32 PolarHBondContact O-N 3.37Å; N30-K33 PolarHBondContact O-N 3.02Å; N30-A34 PolarHBondContact O-N 3.48Å |
| 31 | S | 84.4 | Confident | 85.5 | Confident | 37 Ų | 37 | 98.1 Ų | 98.1 | 26% | 0.259 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.8 | -163 | 0 | 0 | 0 | 0 | 111.7 | W27 S28 K33 A34 E35 | W27-S31 WeakPolarHBondContact O-CB 3.26Å; W27-S31 PolarHBondContact O-N 3.12Å; S28-S31 PolarHBondContact O-N 2.98Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S31-K33 VanDerWaalsContact C-N 3.27Å; S31-K33 PolarHBondContact O-N 3.37Å; S31-A34 WeakPolarHBondContact O-CB 3.27Å; S31-A34 PolarHBondContact O-N 3.33Å; S31-E35 WeakPolarHBondContact O-CG 3.44Å; S31-E35 PolarHBondContact O-N 2.83Å |
| 32 | S | 83.6 | Confident | 84.2 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | S28 N30 Q36 | S28-S32 PolarHBondContact O-N 3.47Å; S28-S32 PolarHBondContact O-OG 3.48Å; S28-S32 VanDerWaalsContact O-OG 3.11Å; N30-S32 PolarHBondContact O-N 3.37Å; S32-Q36 WeakPolarHBondContact O-CB 3.28Å; S32-Q36 WeakPolarHBondContact O-CG 3.34Å; S32-Q36 PolarHBondContact O-N 2.89Å |
| 33 | K | 79.7 | Confident | 82.7 | Confident | 146 Ų | 146 | 95.8 Ų | 95.8 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.4 | -39.1 | 174 | -74 | 177.8 | -179.2 | -177.4 | 0 | 111.9 | R29 N30 S31 A37 | R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 3.12Å; N30-K33 PolarHBondContact O-N 3.02Å; S31-K33 VanDerWaalsContact C-N 3.27Å; S31-K33 PolarHBondContact O-N 3.37Å; K33-A37 PolarHBondContact O-N 3.34Å; K33-A37 VanDerWaalsContact O-N 3.09Å |
| 34 | A | 79.2 | Confident | 81.2 | Confident | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N30 S31 A37 L38 | N30-A34 PolarHBondContact O-N 3.48Å; S31-A34 WeakPolarHBondContact O-CB 3.27Å; S31-A34 PolarHBondContact O-N 3.33Å; A34-A37 PolarHBondContact O-N 3.41Å; A34-L38 WeakPolarHBondContact O-CB 3.39Å; A34-L38 PolarHBondContact O-N 3.26Å |
| 35 | E | 76.7 | Confident | 79.8 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.5 | -73.4 | 172.5 | 179.4 | 0 | 0 | 111.6 | S31 A37 L38 D39 | S31-E35 WeakPolarHBondContact O-CG 3.44Å; S31-E35 PolarHBondContact O-N 2.83Å; E35-A37 VanDerWaalsContact C-N 3.31Å; E35-A37 PolarHBondContact O-N 3Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CB 3.41Å; E35-L38 PolarHBondContact O-N 3.48Å; E35-L38 VanDerWaalsContact O-N 3.12Å; E35-D39 WeakPolarHBondContact O-CB 3.25Å; E35-D39 PolarHBondContact O-N 3.39Å |
| 36 | Q | 78.4 | Confident | 78.3 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | 176.7 | -76.2 | 172.2 | 3.4 | 0 | 0 | 113.1 | S32 L38 N40 | S32-Q36 WeakPolarHBondContact O-CB 3.28Å; S32-Q36 WeakPolarHBondContact O-CG 3.34Å; S32-Q36 PolarHBondContact O-N 2.89Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-N40 WeakPolarHBondContact O-CB 3.29Å; Q36-N40 VanDerWaalsContact O-CG 3.3Å; Q36-N40 PolarHBondContact O-N 2.83Å |
| 37 | A | 78.8 | Confident | 76.9 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K33 A34 E35 T41 | K33-A37 PolarHBondContact O-N 3.34Å; K33-A37 VanDerWaalsContact O-N 3.09Å; A34-A37 PolarHBondContact O-N 3.41Å; E35-A37 VanDerWaalsContact C-N 3.31Å; E35-A37 PolarHBondContact O-N 3Å; A37-T41 WeakPolarHBondContact O-CG2 3.32Å; A37-T41 PolarHBondContact O-N 3.22Å |
| 38 | L | 77.1 | Confident | 75.6 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.9 | -40.6 | 175.3 | -175.6 | 66.4 | 0 | 0 | 0 | 112 | A34 E35 Q36 N40 T41 L42 | A34-L38 WeakPolarHBondContact O-CB 3.39Å; A34-L38 PolarHBondContact O-N 3.26Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CB 3.41Å; E35-L38 PolarHBondContact O-N 3.48Å; E35-L38 VanDerWaalsContact O-N 3.12Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 2.89Å; L38-T41 PolarHBondContact O-N 3.42Å; L38-T41 VanDerWaalsContact O-N 3.17Å; L38-T41 PolarHBondContact O-OG1 2.98Å; L38-L42 HydrophobicContact CD1-CD1 4.19Å; L38-L42 HydrophobicContact CD1-CG 4.26Å; L38-L42 HydrophobicContact CD2-CD1 4.27Å; L38-L42 HydrophobicContact CG-CD1 3.77Å; L38-L42 HydrophobicContact CG-CG 4.23Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 2.95Å |
| 39 | D | 72.8 | Confident | 74.7 | Confident | 92 Ų | 92 | 103 Ų | 103 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 176.7 | -83.8 | -9.8 | 0 | 0 | 0 | 111.2 | E35 T41 L42 A43 | E35-D39 WeakPolarHBondContact O-CB 3.25Å; E35-D39 PolarHBondContact O-N 3.39Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-T41 PolarHBondContact O-N 2.93Å; D39-L42 PolarHBondContact O-N 3.5Å; D39-A43 WeakPolarHBondContact O-CB 3.4Å; D39-A43 PolarHBondContact O-N 2.93Å |
| 40 | N | 74.6 | Confident | 74.3 | Confident | 127 Ų | 127 | 99 Ų | 99 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -35.1 | 174.6 | -77.3 | -13.8 | 0 | 0 | 0 | 112.7 | Q36 L38 | Q36-N40 WeakPolarHBondContact O-CB 3.29Å; Q36-N40 VanDerWaalsContact O-CG 3.3Å; Q36-N40 PolarHBondContact O-N 2.83Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 2.89Å |
| 41 | T | 73.3 | Confident | 74.1 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78 | -34.6 | 176 | 60.1 | 0 | 0 | 0 | 0 | 112 | A37 L38 D39 E44 | A37-T41 WeakPolarHBondContact O-CG2 3.32Å; A37-T41 PolarHBondContact O-N 3.22Å; L38-T41 PolarHBondContact O-N 3.42Å; L38-T41 VanDerWaalsContact O-N 3.17Å; L38-T41 PolarHBondContact O-OG1 2.98Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-T41 PolarHBondContact O-N 2.93Å; T41-E44 WeakPolarHBondContact O-CB 3.35Å |
| 42 | L | 69.9 | Low | 74.2 | Confident | 43 Ų | 43 | 104.1 Ų | 104.1 | 23% | 0.225 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -78.4 | -26.4 | 178.8 | -68.2 | 176.9 | 0 | 0 | 0 | 113.5 | L38 D39 E44 E45 N46 | L38-L42 HydrophobicContact CD1-CD1 4.19Å; L38-L42 HydrophobicContact CD1-CG 4.26Å; L38-L42 HydrophobicContact CD2-CD1 4.27Å; L38-L42 HydrophobicContact CG-CD1 3.77Å; L38-L42 HydrophobicContact CG-CG 4.23Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 2.95Å; D39-L42 PolarHBondContact O-N 3.5Å; L42-E44 PolarHBondContact O-N 3.46Å; L42-E45 CarbonylContact O-C 3.54Å; L42-E45 WeakPolarHBondContact O-CA 3.35Å; L42-E45 PolarHBondContact O-N 3.29Å; L42-N46 PolarHBondContact O-N 2.68Å |
| 43 | A | 65.4 | Low | 74.4 | Confident | 57 Ų | 57 | 109.4 Ų | 109.4 | 47% | 0.471 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.1 | -27.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | D39 E45 N46 | D39-A43 WeakPolarHBondContact O-CB 3.4Å; D39-A43 PolarHBondContact O-N 2.93Å; A43-E45 VanDerWaalsContact C-N 3.31Å; A43-N46 PolarHBondContact O-ND2 2.91Å |
| 44 | E | 65.4 | Low | 74.9 | Confident | 169 Ų | 169 | 106.1 Ų | 106.1 | 79% | 0.79 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.6 | -30 | 170.4 | -165.2 | 64.5 | -158.7 | 0 | 0 | 111.5 | T41 L42 | T41-E44 WeakPolarHBondContact O-CB 3.35Å; L42-E44 PolarHBondContact O-N 3.46Å |
| 45 | E | 64.8 | Low | 75.6 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -99.4 | -4.6 | -173.9 | -68.1 | -162 | 163.7 | 0 | 0 | 116 | L42 A43 F47 R48 | L42-E45 CarbonylContact O-C 3.54Å; L42-E45 WeakPolarHBondContact O-CA 3.35Å; L42-E45 PolarHBondContact O-N 3.29Å; A43-E45 VanDerWaalsContact C-N 3.31Å; E45-F47 PolarHBondContact O-N 2.9Å; E45-R48 IonicContact OE2-NE 2.87Å |
| 46 | N | 64.4 | Low | 76.4 | Confident | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31 | -43.8 | 174.8 | -84.3 | -68.9 | 0 | 0 | 0 | 121.1 | L42 A43 | L42-N46 PolarHBondContact O-N 2.68Å; A43-N46 PolarHBondContact O-ND2 2.91Å |
| 47 | F | 65.1 | Low | 77.1 | Confident | 178 Ų | 178 | 105.6 Ų | 105.6 | 78% | 0.781 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -30.9 | -176.7 | -60.1 | -74.1 | 0 | 0 | 0 | 114.3 | E45 | E45-F47 PolarHBondContact O-N 2.9Å |
| 48 | R | 66.3 | Low | 77.9 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 54% | 0.536 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.2 | -34 | -176.9 | -169.6 | 179.9 | -63 | -84.4 | -0.3 | 113.1 | E45 I51 W52 | E45-R48 IonicContact OE2-NE 2.87Å; R48-I51 PolarHBondContact O-N 3.31Å; R48-W52 PolarHBondContact O-N 3.14Å |
| 49 | N | 73.4 | Confident | 78.8 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | -178.1 | -166.2 | -13.3 | 0 | 0 | 0 | 111.5 | I51 W52 Y53 | N49-I51 VanDerWaalsContact C-N 3.28Å; N49-I51 PolarHBondContact O-N 2.97Å; N49-W52 PolarHBondContact O-N 3.45Å; N49-Y53 PolarHBondContact O-N 3.39Å |
| 50 | V | 79 | Confident | 80 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | L54 | V50-L54 HydrophobicContact CG1-CD1 4.14Å; V50-L54 PolarHBondContact O-N 2.88Å |
| 51 | I | 84.3 | Confident | 81 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 179.9 | -64.1 | 162.4 | 0 | 0 | 0 | 110.8 | R48 N49 Y53 L54 I55 | R48-I51 PolarHBondContact O-N 3.31Å; N49-I51 VanDerWaalsContact C-N 3.28Å; N49-I51 PolarHBondContact O-N 2.97Å; I51-Y53 VanDerWaalsContact C-N 3.35Å; I51-Y53 PolarHBondContact O-N 3.4Å; I51-L54 PolarHBondContact O-N 3.06Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 WeakPolarHBondContact O-CG1 3.21Å; I51-I55 PolarHBondContact O-N 3.5Å |
| 52 | W | 86.3 | Confident | 82.1 | Confident | 159 Ų | 159 | 105.8 Ų | 105.8 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176.1 | -81.9 | 114.3 | 0 | 0 | 0 | 112.2 | R48 N49 L54 I55 V56 | R48-W52 PolarHBondContact O-N 3.14Å; N49-W52 PolarHBondContact O-N 3.45Å; W52-L54 PolarHBondContact O-N 2.89Å; W52-I55 PolarHBondContact O-N 2.91Å; W52-V56 WeakPolarHBondContact O-CG2 3.44Å; W52-V56 PolarHBondContact O-N 2.81Å |
| 53 | Y | 87.2 | Confident | 83.5 | Confident | 157 Ų | 157 | 111.1 Ų | 111.1 | 62% | 0.616 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.6 | -47 | 175 | 177.2 | -98.4 | 0 | 0 | 0 | 112.1 | N49 I51 V56 M57 | N49-Y53 PolarHBondContact O-N 3.39Å; I51-Y53 VanDerWaalsContact C-N 3.35Å; I51-Y53 PolarHBondContact O-N 3.4Å; Y53-V56 PolarHBondContact O-N 2.79Å; Y53-M57 HydrophobicContact CE1-SD 4.32Å; Y53-M57 VanDerWaalsContact O-CB 3.27Å; Y53-M57 WeakPolarHBondContact O-CB 3.5Å; Y53-M57 PolarHBondContact O-N 3.48Å |
| 54 | L | 89.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 112 Ų | 112 | 40% | 0.403 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.4 | -87.4 | 158.5 | 0 | 0 | 0 | 112.7 | V50 I51 W52 M57 I58 | V50-L54 HydrophobicContact CG1-CD1 4.14Å; V50-L54 PolarHBondContact O-N 2.88Å; I51-L54 PolarHBondContact O-N 3.06Å; W52-L54 PolarHBondContact O-N 2.89Å; L54-M57 HydrophobicContact CD2-CE 4.06Å; L54-M57 PolarHBondContact O-N 3.48Å; L54-I58 HydrophobicContact CD2-CD1 4.38Å; L54-I58 WeakPolarHBondContact O-CB 3.29Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.92Å |
| 55 | I | 93.9 | Very high | 86.4 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61 | -46 | 177.9 | -69.8 | 168.1 | 0 | 0 | 0 | 110.6 | I51 W52 G59 | I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 WeakPolarHBondContact O-CG1 3.21Å; I51-I55 PolarHBondContact O-N 3.5Å; W52-I55 PolarHBondContact O-N 2.91Å; I55-G59 WeakPolarHBondContact O-CA 3.32Å; I55-G59 PolarHBondContact O-N 3.35Å |
| 56 | V | 94.3 | Very high | 88 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | W52 Y53 G59 M60 | W52-V56 WeakPolarHBondContact O-CG2 3.44Å; W52-V56 PolarHBondContact O-N 2.81Å; Y53-V56 PolarHBondContact O-N 2.79Å; V56-G59 PolarHBondContact O-N 2.74Å; V56-M60 WeakPolarHBondContact O-CB 3.35Å; V56-M60 PolarHBondContact O-N 3.43Å |
| 57 | M | 93 | Very high | 89.4 | Confident | 94 Ų | 94 | 103 Ų | 103 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 178.4 | -175.5 | -167.2 | 76.1 | 0 | 0 | 111.4 | Y53 L54 F61 | Y53-M57 HydrophobicContact CE1-SD 4.32Å; Y53-M57 VanDerWaalsContact O-CB 3.27Å; Y53-M57 WeakPolarHBondContact O-CB 3.5Å; Y53-M57 PolarHBondContact O-N 3.48Å; L54-M57 HydrophobicContact CD2-CE 4.06Å; L54-M57 PolarHBondContact O-N 3.48Å; M57-F61 WeakPolarHBondContact O-CB 3.39Å; M57-F61 PolarHBondContact O-N 3.45Å; M57-F61 VanDerWaalsContact O-N 3.16Å |
| 58 | I | 95.9 | Very high | 90.9 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 179.9 | -65.4 | 166.9 | 0 | 0 | 0 | 110.4 | L54 F61 A62 | L54-I58 HydrophobicContact CD2-CD1 4.38Å; L54-I58 WeakPolarHBondContact O-CB 3.29Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.92Å; I58-F61 PolarHBondContact O-N 2.87Å; I58-A62 WeakPolarHBondContact O-CB 3.04Å; I58-A62 PolarHBondContact O-N 3.33Å |
| 59 | G | 96.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 97.4 Ų | 97.4 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I55 V56 F63 | I55-G59 WeakPolarHBondContact O-CA 3.32Å; I55-G59 PolarHBondContact O-N 3.35Å; V56-G59 PolarHBondContact O-N 2.74Å; G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 2.88Å |
| 60 | M | 96.1 | Very high | 93.1 | Very high | 128 Ų | 128 | 96.5 Ų | 96.5 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 177.6 | -168 | -160.8 | -167.8 | 0 | 0 | 111.1 | V56 F63 I64 | V56-M60 WeakPolarHBondContact O-CB 3.35Å; V56-M60 PolarHBondContact O-N 3.43Å; M60-F63 PolarHBondContact O-N 3.01Å; M60-I64 HydrophobicContact CE-CD1 4.23Å; M60-I64 HydrophobicContact CG-CD1 4.04Å; M60-I64 VanDerWaalsContact O-CG1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.25Å; M60-I64 PolarHBondContact O-N 2.99Å; M60-I64 HydrophobicContact SD-CD1 4.44Å |
| 61 | F | 96.6 | Very high | 93.7 | Very high | 148 Ų | 148 | 96 Ų | 96 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -50.6 | 178.5 | 179.6 | -102.2 | 0 | 0 | 0 | 112 | M57 I58 F63 I64 V65 | M57-F61 WeakPolarHBondContact O-CB 3.39Å; M57-F61 PolarHBondContact O-N 3.45Å; M57-F61 VanDerWaalsContact O-N 3.16Å; I58-F61 PolarHBondContact O-N 2.87Å; F61-F63 VanDerWaalsContact C-N 3.31Å; F61-F63 PolarHBondContact O-N 3.48Å; F61-I64 PolarHBondContact O-N 2.89Å; F61-V65 HydrophobicContact CE1-CG2 4.21Å; F61-V65 HydrophobicContact CE2-CG2 4.39Å; F61-V65 HydrophobicContact CZ-CG2 4.11Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 2.99Å; F61-V65 VanDerWaalsContact O-N 3.12Å |
| 62 | A | 97.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 95 Ų | 95 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I58 V65 V66 | I58-A62 WeakPolarHBondContact O-CB 3.04Å; I58-A62 PolarHBondContact O-N 3.33Å; A62-V65 PolarHBondContact O-N 3.41Å; A62-V66 WeakPolarHBondContact O-CG2 3.25Å; A62-V66 PolarHBondContact O-N 3.12Å |
| 63 | F | 97.6 | Very high | 93.9 | Very high | 154 Ų | 154 | 92 Ų | 92 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 177.8 | -179.1 | -100.6 | 0 | 0 | 0 | 112.1 | G59 M60 F61 V65 V66 A67 | G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 2.88Å; M60-F63 PolarHBondContact O-N 3.01Å; F61-F63 VanDerWaalsContact C-N 3.31Å; F61-F63 PolarHBondContact O-N 3.48Å; F63-V65 PolarHBondContact O-N 2.87Å; F63-V66 PolarHBondContact O-N 3.03Å; F63-A67 VanDerWaalsContact O-CB 3.25Å; F63-A67 WeakPolarHBondContact O-CB 3.49Å; F63-A67 PolarHBondContact O-N 3.05Å |
| 64 | I | 96.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 90.4 Ų | 90.4 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178.2 | -68.5 | 165.7 | 0 | 0 | 0 | 110.8 | M60 F61 V66 A67 I68 | M60-I64 HydrophobicContact CE-CD1 4.23Å; M60-I64 HydrophobicContact CG-CD1 4.04Å; M60-I64 VanDerWaalsContact O-CG1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.25Å; M60-I64 PolarHBondContact O-N 2.99Å; M60-I64 HydrophobicContact SD-CD1 4.44Å; F61-I64 PolarHBondContact O-N 2.89Å; I64-V66 PolarHBondContact O-N 2.99Å; I64-A67 PolarHBondContact O-N 3.04Å; I64-I68 HydrophobicContact CG2-CD1 3.76Å; I64-I68 HydrophobicContact CG2-CG1 4.42Å; I64-I68 WeakPolarHBondContact O-CG1 3.32Å; I64-I68 PolarHBondContact O-N 3.31Å |
| 65 | V | 96.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 91.4 Ų | 91.4 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F61 A62 F63 I68 L69 | F61-V65 HydrophobicContact CE1-CG2 4.21Å; F61-V65 HydrophobicContact CE2-CG2 4.39Å; F61-V65 HydrophobicContact CZ-CG2 4.11Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 2.99Å; F61-V65 VanDerWaalsContact O-N 3.12Å; A62-V65 PolarHBondContact O-N 3.41Å; F63-V65 PolarHBondContact O-N 2.87Å; V65-I68 PolarHBondContact O-N 3.08Å; V65-L69 WeakPolarHBondContact O-CB 3.21Å; V65-L69 PolarHBondContact O-N 3.48Å |
| 66 | V | 96.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 95.9 Ų | 95.9 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | A62 F63 I64 I68 L69 V70 | A62-V66 WeakPolarHBondContact O-CG2 3.25Å; A62-V66 PolarHBondContact O-N 3.12Å; F63-V66 PolarHBondContact O-N 3.03Å; I64-V66 PolarHBondContact O-N 2.99Å; V66-I68 PolarHBondContact O-N 2.87Å; V66-L69 PolarHBondContact O-N 3.49Å; V66-V70 HydrophobicContact CG1-CG2 4.18Å; V66-V70 WeakPolarHBondContact O-CB 3.38Å; V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 3.35Å |
| 67 | A | 95.6 | Very high | 90.2 | Very high | 38 Ų | 38 | 100.8 Ų | 100.8 | 31% | 0.314 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F63 I64 S71 | F63-A67 VanDerWaalsContact O-CB 3.25Å; F63-A67 WeakPolarHBondContact O-CB 3.49Å; F63-A67 PolarHBondContact O-N 3.05Å; I64-A67 PolarHBondContact O-N 3.04Å; A67-S71 WeakPolarHBondContact O-CB 3.39Å; A67-S71 PolarHBondContact O-N 3.42Å; A67-S71 PolarHBondContact O-OG 3.08Å |
| 68 | I | 94.8 | Very high | 88.8 | Confident | 100 Ų | 100 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -43.2 | 174.5 | -66.5 | 169.2 | 0 | 0 | 0 | 110.1 | I64 V65 V66 S71 T72 | I64-I68 HydrophobicContact CG2-CD1 3.76Å; I64-I68 HydrophobicContact CG2-CG1 4.42Å; I64-I68 WeakPolarHBondContact O-CG1 3.32Å; I64-I68 PolarHBondContact O-N 3.31Å; V65-I68 PolarHBondContact O-N 3.08Å; V66-I68 PolarHBondContact O-N 2.87Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-T72 HydrophobicContact CG2-CG2 4.11Å; I68-T72 WeakPolarHBondContact O-CB 3.43Å; I68-T72 VanDerWaalsContact O-CG2 3.25Å; I68-T72 WeakPolarHBondContact O-CG2 3.47Å; I68-T72 PolarHBondContact O-N 2.91Å; I68-T72 PolarHBondContact O-OG1 3.3Å |
| 69 | L | 94.8 | Very high | 87.2 | Confident | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -48.6 | 179.3 | -172.9 | 69.3 | 0 | 0 | 0 | 111.9 | V65 V66 S71 T72 V73 | V65-L69 WeakPolarHBondContact O-CB 3.21Å; V65-L69 PolarHBondContact O-N 3.48Å; V66-L69 PolarHBondContact O-N 3.49Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.28Å; L69-T72 WeakPolarHBondContact CA-OG1 3.24Å; L69-T72 PolarHBondContact O-N 3.43Å; L69-T72 PolarHBondContact O-OG1 3.07Å; L69-V73 WeakPolarHBondContact O-CB 3.4Å; L69-V73 VanDerWaalsContact O-CG2 3.25Å; L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.9Å |
| 70 | V | 92.6 | Very high | 85.5 | Confident | 75 Ų | 75 | 115 Ų | 115 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -41.7 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | V66 V73 K74 | V66-V70 HydrophobicContact CG1-CG2 4.18Å; V66-V70 WeakPolarHBondContact O-CB 3.38Å; V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 3.35Å; V70-V73 PolarHBondContact O-N 3.46Å; V70-K74 HydrophobicContact CG1-CD 4.12Å; V70-K74 HydrophobicContact CG1-CG 4.33Å; V70-K74 WeakPolarHBondContact O-CB 3.23Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.45Å |
| 71 | S | 90.4 | Very high | 83.8 | Confident | 75 Ų | 75 | 114.5 Ų | 114.5 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.7 | -42.4 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | A67 I68 L69 S75 | A67-S71 WeakPolarHBondContact O-CB 3.39Å; A67-S71 PolarHBondContact O-N 3.42Å; A67-S71 PolarHBondContact O-OG 3.08Å; I68-S71 PolarHBondContact O-N 2.9Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.28Å; S71-S75 WeakPolarHBondContact O-CA 3.31Å; S71-S75 WeakPolarHBondContact O-CB 3.3Å; S71-S75 PolarHBondContact O-N 3.45Å |
| 72 | T | 88.4 | Confident | 82.2 | Confident | 77 Ų | 77 | 114.9 Ų | 114.9 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.1 | -39.4 | 178.7 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | I68 L69 K76 | I68-T72 HydrophobicContact CG2-CG2 4.11Å; I68-T72 WeakPolarHBondContact O-CB 3.43Å; I68-T72 VanDerWaalsContact O-CG2 3.25Å; I68-T72 WeakPolarHBondContact O-CG2 3.47Å; I68-T72 PolarHBondContact O-N 2.91Å; I68-T72 PolarHBondContact O-OG1 3.3Å; L69-T72 WeakPolarHBondContact CA-OG1 3.24Å; L69-T72 PolarHBondContact O-N 3.43Å; L69-T72 PolarHBondContact O-OG1 3.07Å; T72-K76 PolarHBondContact O-N 3.3Å; T72-K76 VanDerWaalsContact O-N 3.08Å |
| 73 | V | 87.3 | Confident | 80.9 | Confident | 97 Ų | 97 | 117.1 Ų | 117.1 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.3 | -46.8 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L69 V70 K76 R77 | L69-V73 WeakPolarHBondContact O-CB 3.4Å; L69-V73 VanDerWaalsContact O-CG2 3.25Å; L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.9Å; V70-V73 PolarHBondContact O-N 3.46Å; V73-K76 PolarHBondContact O-N 3.07Å; V73-R77 PolarHBondContact O-N 3.46Å |
| 74 | K | 79.3 | Confident | 79.6 | Confident | 123 Ų | 123 | 113.8 Ų | 113.8 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 176.6 | -68.4 | -170.2 | 90.1 | -167 | 0 | 111.8 | V70 K76 R77 | V70-K74 HydrophobicContact CG1-CD 4.12Å; V70-K74 HydrophobicContact CG1-CG 4.33Å; V70-K74 WeakPolarHBondContact O-CB 3.23Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.45Å; K74-K76 VanDerWaalsContact C-N 3.27Å; K74-K76 PolarHBondContact O-N 2.96Å; K74-R77 CarbonylContact O-C 3.53Å; K74-R77 WeakPolarHBondContact O-CA 3.43Å; K74-R77 VanDerWaalsContact O-CB 3.3Å; K74-R77 WeakPolarHBondContact O-CB 3.28Å; K74-R77 PolarHBondContact O-N 3.24Å; K74-R77 VanDerWaalsContact O-O 3.1Å |
| 75 | S | 75.4 | Confident | 77.9 | Confident | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.2 | -35.2 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | S71 R77 | S71-S75 WeakPolarHBondContact O-CA 3.31Å; S71-S75 WeakPolarHBondContact O-CB 3.3Å; S71-S75 PolarHBondContact O-N 3.45Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 3.47Å |
| 76 | K | 66.3 | Low | 76.4 | Confident | 187 Ų | 187 | 120 Ų | 120 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -24.4 | 175.6 | -156.9 | 175 | -173 | -172.8 | 0 | 112.6 | T72 V73 K74 R78 | T72-K76 PolarHBondContact O-N 3.3Å; T72-K76 VanDerWaalsContact O-N 3.08Å; V73-K76 PolarHBondContact O-N 3.07Å; K74-K76 VanDerWaalsContact C-N 3.27Å; K74-K76 PolarHBondContact O-N 2.96Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.17Å; K76-R78 VanDerWaalsContact O-N 3.08Å |
| 77 | R | 67.4 | Low | 74.8 | Confident | 198 Ų | 198 | 123.7 Ų | 123.7 | 75% | 0.747 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -79 | 84.6 | 171.3 | -167.2 | -179.9 | -171.8 | -173 | 0.9 | 107.9 | V73 K74 S75 E79 | V73-R77 PolarHBondContact O-N 3.46Å; K74-R77 CarbonylContact O-C 3.53Å; K74-R77 WeakPolarHBondContact O-CA 3.43Å; K74-R77 VanDerWaalsContact O-CB 3.3Å; K74-R77 WeakPolarHBondContact O-CB 3.28Å; K74-R77 PolarHBondContact O-N 3.24Å; K74-R77 VanDerWaalsContact O-O 3.1Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 3.47Å; R77-E79 PolarHBondContact O-N 3.36Å |
| 78 | R | 63.4 | Low | 73.1 | Confident | 211 Ų | 211 | 129.5 Ų | 129.5 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | trans | -49.1 | 106.6 | 175.1 | -69.1 | -176.8 | 175.6 | 152.2 | -1.3 | 109.3 | K76 H80 | K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.17Å; K76-R78 VanDerWaalsContact O-N 3.08Å; R78-H80 PolarHBondContact O-CE1 3.26Å; R78-H80 VanDerWaalsContact O-CE1 3.25Å; R78-H80 PolarHBondContact O-N 3.36Å; R78-H80 PolarHBondContact O-ND1 2.81Å | ||
| 79 | E | 62.6 | Low | 71.6 | Confident | 153 Ų | 153 | 129 Ų | 129 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | trans | -72.4 | 112.6 | 170.6 | -67.6 | -178.8 | 178.3 | 0 | 0 | 105.6 | R77 S81 | R77-E79 PolarHBondContact O-N 3.36Å; E79-S81 PolarHBondContact O-N 3.43Å | ||
| 80 | H | 59.1 | Low | 70.1 | Confident | 167 Ų | 167 | 130.1 Ų | 130.1 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -74.8 | 117.8 | -175.6 | -63.6 | 62.5 | 0 | 0 | 0 | 106.8 | R78 N82 | R78-H80 PolarHBondContact O-CE1 3.26Å; R78-H80 VanDerWaalsContact O-CE1 3.25Å; R78-H80 PolarHBondContact O-N 3.36Å; R78-H80 PolarHBondContact O-ND1 2.81Å; H80-N82 PolarHBondContact O-N 3.25Å | ||
| 81 | S | 61.3 | Low | 68.5 | Low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -60.4 | 15.9 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 116.3 | E79 | E79-S81 PolarHBondContact O-N 3.43Š|
| 82 | N | 62 | Low | 67 | Low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | trans | -102.1 | 62 | 176.9 | -90.8 | -12.1 | 0 | 0 | 0 | 109.8 | H80 P84 | H80-N82 PolarHBondContact O-N 3.25Å; N82-P84 WeakPolarHBondContact O-CD 3.36Å | ||
| 83 | D | 70.9 | Confident | 65.8 | Low | 95 Ų | 95 | 138.2 Ų | 138.2 | 51% | 0.508 | 65% | 0.652 | S | S | . | * | trans | -84.4 | 116.8 | 168.1 | 84.1 | -73.1 | 0 | 0 | 0 | 109.1 | Y85 | D83-Y85 PolarHBondContact O-N 3.28Å; D83-Y85 VanDerWaalsContact O-N 3.13Å | ||
| 84 | P | 70.3 | Confident | 64.5 | Low | 84 Ų | 84 | 138.1 Ų | 138.1 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -2.7 | -177.7 | 27.8 | -32.9 | 0 | 0 | 0 | 113 | N82 | N82-P84 WeakPolarHBondContact O-CD 3.36Š|
| 85 | Y | 61.5 | Low | 63.7 | Low | 167 Ų | 167 | 134.2 Ų | 134.2 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -20.4 | -173.8 | -67.1 | -79.3 | 0 | 0 | 0 | 113.6 | D83 K87 Y88 | D83-Y85 PolarHBondContact O-N 3.28Å; D83-Y85 VanDerWaalsContact O-N 3.13Å; Y85-K87 PolarHBondContact O-N 2.8Å; Y85-K87 VanDerWaalsContact O-N 3.14Å; Y85-Y88 PolarHBondContact O-N 3.2Å |
| 86 | H | 63.9 | Low | 63.1 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -55.9 | -30.9 | 175.3 | -164.8 | 64.9 | 0 | 0 | 0 | 112.9 | Y88 I89 | H86-Y88 VanDerWaalsContact C-N 3.29Å; H86-Y88 PolarHBondContact O-N 3.3Å; H86-I89 PolarHBondContact O-N 3.13Å |
| 87 | K | 64.3 | Low | 62.8 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -23.7 | -178 | -69.2 | -169.9 | 175.1 | -173.5 | 0 | 114.8 | Y85 | Y85-K87 PolarHBondContact O-N 2.8Å; Y85-K87 VanDerWaalsContact O-N 3.14Å |
| 88 | Y | 60.1 | Low | 62.5 | Low | 159 Ų | 159 | 128.2 Ų | 128.2 | 62% | 0.624 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -92 | -12.6 | -177.4 | -56.2 | -71.4 | 0 | 0 | 0 | 113 | Y85 H86 | Y85-Y88 PolarHBondContact O-N 3.2Å; H86-Y88 VanDerWaalsContact C-N 3.29Å; H86-Y88 PolarHBondContact O-N 3.3Å |
| 89 | I | 63.1 | Low | 62.4 | Low | 89 Ų | 89 | 124.7 Ų | 124.7 | 46% | 0.456 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.1 | -30.4 | -179.7 | -56.4 | 174.1 | 0 | 0 | 0 | 110.7 | H86 W93 | H86-I89 PolarHBondContact O-N 3.13Å; I89-W93 HydrophobicContact CG2-CH2 3.91Å; I89-W93 HydrophobicContact CG2-CZ2 3.6Å |
| 90 | E | 61.7 | Low | 62.2 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73 | -33.5 | 179.9 | -65.5 | -175.4 | 174.7 | 0 | 0 | 113.3 | ||
| 91 | E | 59.1 | Low | 62.2 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 66% | 0.659 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.2 | -33.2 | -174.5 | -69.1 | -170.4 | 165.3 | 0 | 0 | 113.1 | W93 T94 | E91-W93 PolarHBondContact O-N 3.14Å; E91-T94 PolarHBondContact O-N 3.19Å; E91-T94 PolarHBondContact O-OG1 3.5Å |
| 92 | D | 60 | Low | 62.1 | Low | 93 Ų | 93 | 119.4 Ų | 119.4 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.7 | -24.2 | -166.5 | -147.4 | 20.2 | 0 | 0 | 0 | 114.3 | A95 Q96 | D92-A95 PolarHBondContact O-N 2.87Å; D92-Q96 PolarHBondContact O-N 3.44Å |
| 93 | W | 62 | Low | 61.9 | Low | 163 Ų | 163 | 117 Ų | 117 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.7 | -37.5 | 176.7 | -62 | -35.1 | 0 | 0 | 0 | 112.6 | I89 E91 L97 | I89-W93 HydrophobicContact CG2-CH2 3.91Å; I89-W93 HydrophobicContact CG2-CZ2 3.6Å; E91-W93 PolarHBondContact O-N 3.14Å; W93-L97 WeakPolarHBondContact O-CD1 3.43Å; W93-L97 WeakPolarHBondContact O-CG 3.47Å; W93-L97 PolarHBondContact O-N 3.01Å; W93-L97 VanDerWaalsContact O-N 3.12Å |
| 94 | T | 61.4 | Low | 61.2 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -36.2 | 180 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | E91 Q98 | E91-T94 PolarHBondContact O-N 3.19Å; E91-T94 PolarHBondContact O-OG1 3.5Å; T94-Q98 WeakPolarHBondContact O-CB 3.34Å; T94-Q98 PolarHBondContact O-N 3.4Å; T94-Q98 VanDerWaalsContact O-N 3.09Å |
| 95 | A | 62.9 | Low | 60.5 | Low | 41 Ų | 41 | 120.4 Ų | 120.4 | 34% | 0.339 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D92 Q98 Q99 | D92-A95 PolarHBondContact O-N 2.87Å; A95-Q98 PolarHBondContact O-N 2.98Å; A95-Q99 PolarHBondContact O-N 3.28Å |
| 96 | Q | 61.5 | Low | 60.2 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.4 | -40 | 177.3 | -73.5 | 177.2 | 22.5 | 0 | 0 | 112.7 | D92 Q98 Q99 Q100 | D92-Q96 PolarHBondContact O-N 3.44Å; Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 3.09Å; Q96-Q99 PolarHBondContact O-N 3.12Å; Q96-Q100 WeakPolarHBondContact O-CB 3.42Å; Q96-Q100 PolarHBondContact O-N 3.47Å |
| 97 | L | 61.3 | Low | 59.8 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.4 | -35.9 | 173.6 | -79.8 | 159.5 | 0 | 0 | 0 | 112.2 | W93 Q100 S101 | W93-L97 WeakPolarHBondContact O-CD1 3.43Å; W93-L97 WeakPolarHBondContact O-CG 3.47Å; W93-L97 PolarHBondContact O-N 3.01Å; W93-L97 VanDerWaalsContact O-N 3.12Å; L97-Q100 PolarHBondContact O-N 3.2Å; L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 3.4Å; L97-S101 PolarHBondContact O-OG 3.14Å |
| 98 | Q | 60.9 | Low | 59.5 | Low | 144 Ų | 144 | 113.5 Ų | 113.5 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.5 | -37.3 | 177.3 | -149.9 | 170.8 | 16.6 | 0 | 0 | 111.9 | T94 A95 Q96 S101 F102 | T94-Q98 WeakPolarHBondContact O-CB 3.34Å; T94-Q98 PolarHBondContact O-N 3.4Å; T94-Q98 VanDerWaalsContact O-N 3.09Å; A95-Q98 PolarHBondContact O-N 2.98Å; Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 3.09Å; Q98-S101 WeakPolarHBondContact CA-OG 3.35Å; Q98-S101 PolarHBondContact O-OG 3.36Å; Q98-F102 WeakPolarHBondContact O-CB 3.33Å; Q98-F102 PolarHBondContact O-N 2.94Å |
| 99 | Q | 61.1 | Low | 59.1 | Low | 137 Ų | 137 | 110 Ų | 110 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -42.8 | 170.4 | -76.5 | 179.1 | -22.9 | 0 | 0 | 112.4 | A95 Q96 S101 F102 V103 | A95-Q99 PolarHBondContact O-N 3.28Å; Q96-Q99 PolarHBondContact O-N 3.12Å; Q99-S101 PolarHBondContact O-N 2.97Å; Q99-F102 PolarHBondContact O-N 3.02Å; Q99-V103 WeakPolarHBondContact O-CG2 3.44Å; Q99-V103 PolarHBondContact O-N 3.13Å; Q99-V103 VanDerWaalsContact O-N 3.07Å |
| 100 | Q | 58.3 | Low | 58.2 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 58% | 0.575 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.4 | -39.9 | 179.3 | -167.6 | 175.5 | 14.7 | 0 | 0 | 111.9 | Q96 L97 I104 | Q96-Q100 WeakPolarHBondContact O-CB 3.42Å; Q96-Q100 PolarHBondContact O-N 3.47Å; L97-Q100 PolarHBondContact O-N 3.2Å; Q100-I104 HydrophobicContact CG-CD1 4.28Å; Q100-I104 WeakPolarHBondContact O-CD1 3.5Å; Q100-I104 VanDerWaalsContact O-CG1 3.28Å; Q100-I104 WeakPolarHBondContact O-CG1 3.27Å; Q100-I104 PolarHBondContact O-N 2.92Å |
| 101 | S | 57.9 | Low | 58.1 | Low | 53 Ų | 53 | 116.7 Ų | 116.7 | 37% | 0.371 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70 | -32.7 | 174.5 | 57 | 0 | 0 | 0 | 0 | 113.1 | L97 Q98 Q99 I104 N105 | L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 3.4Å; L97-S101 PolarHBondContact O-OG 3.14Å; Q98-S101 WeakPolarHBondContact CA-OG 3.35Å; Q98-S101 PolarHBondContact O-OG 3.36Å; Q99-S101 PolarHBondContact O-N 2.97Å; S101-I104 PolarHBondContact O-N 3.44Å; S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.07Å; S101-N105 VanDerWaalsContact O-N 3.14Å; S101-N105 PolarHBondContact O-ND2 2.86Å |
| 102 | F | 59.4 | Low | 58 | Low | 148 Ų | 148 | 115.4 Ų | 115.4 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 173.9 | -179.2 | -101.1 | 0 | 0 | 0 | 112.6 | Q98 Q99 N105 N106 | Q98-F102 WeakPolarHBondContact O-CB 3.33Å; Q98-F102 PolarHBondContact O-N 2.94Å; Q99-F102 PolarHBondContact O-N 3.02Å; F102-N105 PolarHBondContact O-N 3.49Å; F102-N106 PolarHBondContact O-N 3.4Å |
| 103 | V | 57.6 | Low | 57.9 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.7 | -36.9 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | Q99 | Q99-V103 WeakPolarHBondContact O-CG2 3.44Å; Q99-V103 PolarHBondContact O-N 3.13Å; Q99-V103 VanDerWaalsContact O-N 3.07Å |
| 104 | I | 57 | Low | 57.7 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.1 | -31.4 | 179.3 | -66.3 | 166.7 | 0 | 0 | 0 | 111.9 | Q100 S101 | Q100-I104 HydrophobicContact CG-CD1 4.28Å; Q100-I104 WeakPolarHBondContact O-CD1 3.5Å; Q100-I104 VanDerWaalsContact O-CG1 3.28Å; Q100-I104 WeakPolarHBondContact O-CG1 3.27Å; Q100-I104 PolarHBondContact O-N 2.92Å; S101-I104 PolarHBondContact O-N 3.44Å |
| 105 | N | 56.2 | Low | 57.4 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -86.8 | -7 | -177.1 | -67.6 | -26 | 0 | 0 | 0 | 114.3 | S101 F102 | S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.07Å; S101-N105 VanDerWaalsContact O-N 3.14Å; S101-N105 PolarHBondContact O-ND2 2.86Å; F102-N105 PolarHBondContact O-N 3.49Å |
| 106 | N | 55.7 | Low | 57.1 | Low | 63 Ų | 63 | 120.1 Ų | 120.1 | 34% | 0.337 | 65% | 0.649 | S | S | . | * | trans | -120.3 | 89.8 | 174.1 | -174.4 | 31 | 0 | 0 | 0 | 111.2 | F102 T108 | F102-N106 PolarHBondContact O-N 3.4Å; N106-T108 PolarHBondContact ND2-O 3.35Å; N106-T108 VanDerWaalsContact ND2-O 3.12Å; N106-T108 PolarHBondContact O-N 3.38Å; N106-T108 PolarHBondContact OD1-OG1 3.42Å | ||
| 107 | P | 55.4 | Low | 56.8 | Low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -71.2 | 6.9 | 178.6 | 28.3 | -33.2 | 0 | 0 | 0 | 114.4 | ||
| 108 | T | 57.5 | Low | 56.4 | Low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | trans | -131.3 | 79.3 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | N106 | N106-T108 PolarHBondContact ND2-O 3.35Å; N106-T108 VanDerWaalsContact ND2-O 3.12Å; N106-T108 PolarHBondContact O-N 3.38Å; N106-T108 PolarHBondContact OD1-OG1 3.42Å | ||
| 109 | A | 51.9 | Low | 56 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | trans | -141.7 | 77.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 110 | N | 44.5 | Very low | 55.6 | Low | 242 Ų | 242 | 118.6 Ų | 118.6 | 100% | 1.294 | 67% | 0.669 | S | S | * | * | trans | -87.4 | 0 | 157.6 | -74.8 | -22.1 | 0 | 0 | 0 | 108.1 |
Retrieved 110 of 110 residues in 45.5 ms
(Link to these results)