| 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 | 52.7 | Low | 60 | Low | 225 Ų | 225 | 134.5 Ų | 134.5 | 100% | 1.108 | 66% | 0.655 | S | S | * | * | 0 | -5.7 | 0 | -72.1 | -178.9 | 172.5 | 0 | 0 | 115 | |||||
| 2 | S | 63 | Low | 59.5 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -28.8 | -172.1 | -173.9 | 0 | 0 | 0 | 0 | 115.9 | F4 L5 | S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.41Å; S2-L5 PolarHBondContact O-N 3.22Å |
| 3 | R | 56.4 | Low | 59.3 | Low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.9 | -21.8 | -175.1 | -70.9 | -174.5 | 171.6 | -171.4 | -2.9 | 115.1 | ||
| 4 | F | 62.2 | Low | 58.6 | Low | 158 Ų | 158 | 128.9 Ų | 128.9 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.2 | -30.2 | 178.8 | -79.8 | -84.9 | 0 | 0 | 0 | 112.9 | S2 L6 F7 F8 | S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.41Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.96Å; F4-F7 PolarHBondContact O-N 3.41Å; F4-F8 WeakPolarHBondContact O-CD2 3.42Å; F4-F8 PolarHBondContact O-N 2.5Å |
| 5 | L | 60.6 | Low | 58.2 | Low | 125 Ų | 125 | 123.8 Ų | 123.8 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.3 | -35.6 | -179.1 | -76.2 | 164.6 | 0 | 0 | 0 | 112.6 | S2 F7 F8 T9 | S2-L5 PolarHBondContact O-N 3.22Å; L5-F7 VanDerWaalsContact C-N 3.27Å; L5-F7 PolarHBondContact O-N 3.24Å; L5-F8 PolarHBondContact O-N 2.9Å; L5-T9 PolarHBondContact O-N 3.11Å; L5-T9 PolarHBondContact O-OG1 3.35Å |
| 6 | L | 61.2 | Low | 57.4 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -26.5 | 177.9 | -68.5 | 173.6 | 0 | 0 | 0 | 112.8 | F4 T9 I10 | F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.96Å; L6-T9 PolarHBondContact O-OG1 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å |
| 7 | F | 65.1 | Low | 56.8 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 61% | 0.614 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.9 | -37.5 | 179.7 | -152.3 | -93.4 | 0 | 0 | 0 | 111.5 | F4 L5 I10 L11 | F4-F7 PolarHBondContact O-N 3.41Å; L5-F7 VanDerWaalsContact C-N 3.27Å; L5-F7 PolarHBondContact O-N 3.24Å; F7-I10 PolarHBondContact O-N 3.44Å; F7-L11 HydrophobicContact CD1-CD1 3.78Å; F7-L11 HydrophobicContact CD1-CG 4.41Å; F7-L11 HydrophobicContact CE1-CD1 3.95Å; F7-L11 HydrophobicContact CE1-CG 4.41Å; F7-L11 PolarHBondContact O-N 2.86Å; F7-L11 VanDerWaalsContact O-N 3.16Å |
| 8 | F | 59.2 | Low | 56.1 | Low | 132 Ų | 132 | 123.2 Ų | 123.2 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -36.6 | 176.9 | -81.8 | -73.9 | 0 | 0 | 0 | 113 | F4 L5 I10 L11 L12 | F4-F8 WeakPolarHBondContact O-CD2 3.42Å; F4-F8 PolarHBondContact O-N 2.5Å; L5-F8 PolarHBondContact O-N 2.9Å; F8-I10 VanDerWaalsContact C-N 3.32Å; F8-I10 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.11Å; F8-L12 PolarHBondContact O-N 3.4Å |
| 9 | T | 63.6 | Low | 55.6 | Low | 76 Ų | 76 | 124.7 Ų | 124.7 | 47% | 0.466 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -36.1 | 176.3 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | L5 L6 I13 | L5-T9 PolarHBondContact O-N 3.11Å; L5-T9 PolarHBondContact O-OG1 3.35Å; L6-T9 PolarHBondContact O-OG1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.48Å; T9-I13 PolarHBondContact O-N 3.31Å |
| 10 | I | 59.9 | Low | 55.3 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.9 | -42.8 | 175.7 | -62.4 | 169.2 | 0 | 0 | 0 | 110.9 | L6 F7 F8 L12 I13 I14 | L6-I10 WeakPolarHBondContact O-CG1 3.48Å; F7-I10 PolarHBondContact O-N 3.44Å; F8-I10 VanDerWaalsContact C-N 3.32Å; F8-I10 PolarHBondContact O-N 3.46Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.03Å; I10-I13 PolarHBondContact O-N 3.08Å; I10-I13 VanDerWaalsContact O-N 3.14Å; I10-I14 HydrophobicContact CG2-CD1 4.15Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.34Å |
| 11 | L | 56.4 | Low | 54.8 | Low | 88 Ų | 88 | 122.6 Ų | 122.6 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.2 | -38.4 | 177.2 | -80.9 | 164.8 | 0 | 0 | 0 | 112.7 | F7 F8 I13 I14 A15 | F7-L11 HydrophobicContact CD1-CD1 3.78Å; F7-L11 HydrophobicContact CD1-CG 4.41Å; F7-L11 HydrophobicContact CE1-CD1 3.95Å; F7-L11 HydrophobicContact CE1-CG 4.41Å; F7-L11 PolarHBondContact O-N 2.86Å; F7-L11 VanDerWaalsContact O-N 3.16Å; F8-L11 PolarHBondContact O-N 3.11Å; L11-I13 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.16Å; L11-I14 VanDerWaalsContact O-N 3.11Å; L11-A15 PolarHBondContact O-N 3.14Å; L11-A15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 53.8 | Low | 54.5 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -27.5 | 176.1 | -88.2 | 155.8 | 0 | 0 | 0 | 113.3 | F8 I10 P16 | F8-L12 PolarHBondContact O-N 3.4Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.03Å; L12-P16 WeakPolarHBondContact O-CD 3.47Å |
| 13 | I | 56.5 | Low | 53.7 | Low | 113 Ų | 113 | 116.7 Ų | 116.7 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -79.1 | -27.1 | 176.2 | -61.3 | 163.4 | 0 | 0 | 0 | 111.3 | T9 I10 L11 P16 | T9-I13 WeakPolarHBondContact O-CG1 3.48Å; T9-I13 PolarHBondContact O-N 3.31Å; I10-I13 PolarHBondContact O-N 3.08Å; I10-I13 VanDerWaalsContact O-N 3.14Å; L11-I13 PolarHBondContact O-N 3.37Å; I13-P16 WeakPolarHBondContact O-CD 3.5Å; I13-P16 WeakPolarHBondContact O-CG 3.39Å |
| 14 | I | 49.9 | Very low | 53.3 | Low | 86 Ų | 86 | 115.3 Ų | 115.3 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -83.1 | -35.6 | -178.3 | -59.4 | 167.9 | 0 | 0 | 0 | 111.6 | I10 L11 K17 Q18 | I10-I14 HydrophobicContact CG2-CD1 4.15Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.34Å; L11-I14 PolarHBondContact O-N 3.16Å; L11-I14 VanDerWaalsContact O-N 3.11Å; I14-K17 WeakPolarHBondContact O-CB 3.4Å; I14-K17 PolarHBondContact O-N 3.46Å; I14-Q18 PolarHBondContact O-N 3.4Å |
| 15 | A | 52.6 | Low | 52.6 | Low | 52 Ų | 52 | 118.3 Ų | 118.3 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -51.8 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L11 K17 Q18 Q19 | L11-A15 PolarHBondContact O-N 3.14Å; L11-A15 VanDerWaalsContact O-N 3.1Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.45Å; A15-Q18 PolarHBondContact O-N 3.36Å; A15-Q19 PolarHBondContact O-N 3.46Å |
| 16 | P | 45.5 | Very low | 52.1 | Low | 72 Ų | 72 | 115.6 Ų | 115.6 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.1 | -23.4 | 179.3 | 25.9 | -34.2 | 0 | 0 | 0 | 113.1 | L12 I13 Q19 L20 | L12-P16 WeakPolarHBondContact O-CD 3.47Å; I13-P16 WeakPolarHBondContact O-CD 3.5Å; I13-P16 WeakPolarHBondContact O-CG 3.39Å; P16-Q19 PolarHBondContact O-N 3.46Å; P16-L20 PolarHBondContact O-N 3.34Å |
| 17 | K | 47.3 | Very low | 51.9 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 66% | 0.657 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70 | -35.3 | 175.9 | -64.8 | -155.9 | -179.3 | -170.3 | 0 | 112.1 | I14 A15 L20 V21 | I14-K17 WeakPolarHBondContact O-CB 3.4Å; I14-K17 PolarHBondContact O-N 3.46Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.45Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.19Å; K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 2.89Å; K17-V21 VanDerWaalsContact O-N 3.14Å |
| 18 | Q | 44.1 | Very low | 51.7 | Low | 137 Ų | 137 | 114.1 Ų | 114.1 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.7 | -33.6 | 176.1 | -82 | -177.3 | -9.2 | 0 | 0 | 112.8 | I14 A15 L20 V21 N22 | I14-Q18 PolarHBondContact O-N 3.4Å; A15-Q18 PolarHBondContact O-N 3.36Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.92Å; Q18-V21 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-N 3.3Å |
| 19 | Q | 47 | Very low | 52 | Low | 152 Ų | 152 | 112.2 Ų | 112.2 | 71% | 0.71 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.1 | -32.9 | 170.6 | -77.5 | -176.1 | -87.1 | 0 | 0 | 111.8 | A15 P16 S23 | A15-Q19 PolarHBondContact O-N 3.46Å; P16-Q19 PolarHBondContact O-N 3.46Å; Q19-S23 WeakPolarHBondContact O-CB 3.41Å; Q19-S23 PolarHBondContact O-N 3.42Å |
| 20 | L | 48.6 | Very low | 52.2 | Low | 136 Ų | 136 | 112.2 Ų | 112.2 | 71% | 0.712 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -36.1 | 173.4 | -142.1 | 76.8 | 0 | 0 | 0 | 112.5 | P16 K17 Q18 S23 | P16-L20 PolarHBondContact O-N 3.34Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.19Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.92Å; L20-S23 CarbonylContact O-C 3.58Å; L20-S23 PolarHBondContact O-N 3.39Å |
| 21 | V | 46.3 | Very low | 52.8 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.6 | -36.7 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | K17 Q18 S23 R24 | K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 2.89Å; K17-V21 VanDerWaalsContact O-N 3.14Å; Q18-V21 PolarHBondContact O-N 3.25Å; V21-S23 VanDerWaalsContact C-N 3.26Å; V21-R24 VanDerWaalsContact O-CB 3.26Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 WeakPolarHBondContact O-CG 3.41Å; V21-R24 PolarHBondContact O-N 3.26Å; V21-R24 VanDerWaalsContact O-N 3.08Å |
| 22 | N | 45.6 | Very low | 53.5 | Low | 142 Ų | 142 | 115.5 Ų | 115.5 | 76% | 0.759 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.6 | -22.1 | 170.3 | -90.6 | 9.1 | 0 | 0 | 0 | 112.3 | Q18 R24 | Q18-N22 PolarHBondContact O-N 3.3Å; N22-R24 PolarHBondContact O-N 3.12Å |
| 23 | S | 46.9 | Very low | 54.6 | Low | 51 Ų | 51 | 111.8 Ų | 111.8 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -76.9 | 9.2 | 166.3 | -151.4 | 0 | 0 | 0 | 0 | 112.9 | Q19 L20 V21 Y25 I26 | Q19-S23 WeakPolarHBondContact O-CB 3.41Å; Q19-S23 PolarHBondContact O-N 3.42Å; L20-S23 CarbonylContact O-C 3.58Å; L20-S23 PolarHBondContact O-N 3.39Å; V21-S23 VanDerWaalsContact C-N 3.26Å; S23-Y25 PolarHBondContact O-N 3.44Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; S23-I26 WeakPolarHBondContact O-CD1 3.41Å; S23-I26 WeakPolarHBondContact O-CG1 3.17Å; S23-I26 PolarHBondContact O-N 2.96Å; S23-I26 WeakPolarHBondContact OG-CG1 3.45Å |
| 24 | R | 46.7 | Very low | 55.6 | Low | 197 Ų | 197 | 107.2 Ų | 107.2 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -63.2 | -9.1 | 161.8 | -79.1 | -165.7 | -85.1 | -170.3 | -6.7 | 113 | V21 N22 I26 | V21-R24 VanDerWaalsContact O-CB 3.26Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 WeakPolarHBondContact O-CG 3.41Å; V21-R24 PolarHBondContact O-N 3.26Å; V21-R24 VanDerWaalsContact O-N 3.08Å; N22-R24 PolarHBondContact O-N 3.12Å; R24-I26 VanDerWaalsContact C-N 3.28Å |
| 25 | Y | 47.1 | Very low | 57 | Low | 221 Ų | 221 | 107.2 Ų | 107.2 | 87% | 0.867 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -89.4 | 24.4 | 161.3 | -102.7 | -84.6 | 0 | 0 | 0 | 113.1 | S23 D27 | S23-Y25 PolarHBondContact O-N 3.44Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-D27 PolarHBondContact O-N 3.18Å |
| 26 | I | 51.7 | Low | 58.2 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 35% | 0.354 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -57.2 | 105.5 | 150.5 | -66 | 154.5 | 0 | 0 | 0 | 103.3 | S23 R24 N28 L30 L31 | S23-I26 WeakPolarHBondContact O-CD1 3.41Å; S23-I26 WeakPolarHBondContact O-CG1 3.17Å; S23-I26 PolarHBondContact O-N 2.96Å; S23-I26 WeakPolarHBondContact OG-CG1 3.45Å; R24-I26 VanDerWaalsContact C-N 3.28Å; I26-N28 PolarHBondContact O-N 2.04Å; I26-L30 HydrophobicContact CG2-CB 4.27Å; I26-L31 HydrophobicContact CG2-CB 3.65Å |
| 27 | D | 55 | Low | 59.9 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | trans | -40.1 | 116.9 | 175.2 | -153 | -39.7 | 0 | 0 | 0 | 106.5 | Y25 T29 L30 L31 | Y25-D27 PolarHBondContact O-N 3.18Å; D27-T29 WeakPolarHBondContact CB-OG1 3.03Å; D27-T29 CarbonylContact O-C 3.53Å; D27-T29 PolarHBondContact O-N 2.65Å; D27-T29 PolarHBondContact OD1-OG1 3.12Å; D27-L30 HydrophobicContact CB-CB 4.13Å; D27-L30 WeakPolarHBondContact O-CA 3.46Å; D27-L30 WeakPolarHBondContact O-CB 3.01Å; D27-L30 PolarHBondContact O-N 3.15Å; D27-L31 PolarHBondContact O-N 3.14Å; D27-L31 VanDerWaalsContact O-N 3.11Å | ||
| 28 | N | 61.1 | Low | 61.5 | Low | 128 Ų | 128 | 100.9 Ų | 100.9 | 68% | 0.684 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.5 | -25.2 | -175.4 | -77.6 | -39.5 | 0 | 0 | 0 | 110.1 | I26 R32 | I26-N28 PolarHBondContact O-N 2.04Å; N28-R32 WeakPolarHBondContact O-CB 3.21Å; N28-R32 PolarHBondContact O-N 3.11Å |
| 29 | T | 67.1 | Low | 63.1 | Low | 92 Ų | 92 | 97.3 Ų | 97.3 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 170.8 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | D27 R32 S33 | D27-T29 WeakPolarHBondContact CB-OG1 3.03Å; D27-T29 CarbonylContact O-C 3.53Å; D27-T29 PolarHBondContact O-N 2.65Å; D27-T29 PolarHBondContact OD1-OG1 3.12Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-S33 VanDerWaalsContact O-CB 3.24Å; T29-S33 WeakPolarHBondContact O-CB 3.15Å; T29-S33 PolarHBondContact O-N 3.45Å |
| 30 | L | 68 | Low | 64.7 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 40% | 0.398 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -49.5 | 179.1 | -167.1 | 68.7 | 0 | 0 | 0 | 111.2 | I26 D27 R32 S33 V34 | I26-L30 HydrophobicContact CG2-CB 4.27Å; D27-L30 HydrophobicContact CB-CB 4.13Å; D27-L30 WeakPolarHBondContact O-CA 3.46Å; D27-L30 WeakPolarHBondContact O-CB 3.01Å; D27-L30 PolarHBondContact O-N 3.15Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.83Å; L30-S33 PolarHBondContact O-N 2.99Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.21Å |
| 31 | L | 72.3 | Confident | 66.3 | Low | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.424 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 177.9 | -174.5 | 58.6 | 0 | 0 | 0 | 110.4 | I26 D27 V34 L35 | I26-L31 HydrophobicContact CG2-CB 3.65Å; D27-L31 PolarHBondContact O-N 3.14Å; D27-L31 VanDerWaalsContact O-N 3.11Å; L31-V34 PolarHBondContact O-N 3.32Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 PolarHBondContact O-N 3.08Å |
| 32 | R | 71.4 | Confident | 67.8 | Low | 175 Ų | 175 | 86.9 Ų | 86.9 | 66% | 0.66 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 177.9 | -173 | 174.5 | -173.4 | -171.6 | 0.5 | 112.3 | N28 T29 L30 L35 N36 | N28-R32 WeakPolarHBondContact O-CB 3.21Å; N28-R32 PolarHBondContact O-N 3.11Å; T29-R32 PolarHBondContact O-N 3.36Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.83Å; R32-L35 PolarHBondContact O-N 3.45Å; R32-N36 WeakPolarHBondContact O-CB 3.21Å; R32-N36 PolarHBondContact O-N 3.31Å; R32-N36 PolarHBondContact O-OD1 3.01Å |
| 33 | S | 76.7 | Confident | 69.3 | Low | 48 Ų | 48 | 86.4 Ų | 86.4 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | T29 L30 N36 C37 | T29-S33 VanDerWaalsContact O-CB 3.24Å; T29-S33 WeakPolarHBondContact O-CB 3.15Å; T29-S33 PolarHBondContact O-N 3.45Å; L30-S33 PolarHBondContact O-N 2.99Å; S33-N36 PolarHBondContact O-N 3.45Å; S33-C37 PolarHBondContact O-N 2.86Å |
| 34 | V | 76.8 | Confident | 70.6 | Confident | 16 Ų | 16 | 91.2 Ų | 91.2 | 10% | 0.097 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111 | L30 L31 C37 Y38 C59 F60 | L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.21Å; L31-V34 PolarHBondContact O-N 3.32Å; V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 3.2Å; V34-Y38 WeakPolarHBondContact O-CB 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; V34-C59 HydrophobicContact CG1-CB 4.14Å; V34-C59 WeakPolarHBondContact CG1-O 3.26Å; V34-F60 HydrophobicContact CG1-CB 4.44Å; V34-F60 HydrophobicContact CG1-CD1 3.51Å; V34-F60 HydrophobicContact CG1-CD2 3.73Å; V34-F60 HydrophobicContact CG1-CE1 3.52Å; V34-F60 HydrophobicContact CG1-CE2 3.76Å; V34-F60 HydrophobicContact CG1-CG 3.62Å; V34-F60 HydrophobicContact CG1-CZ 3.65Å |
| 35 | L | 79.6 | Confident | 71.8 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 45% | 0.45 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.2 | -173.6 | 63.8 | 0 | 0 | 0 | 112 | L31 R32 Y38 V39 | L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 PolarHBondContact O-N 3.08Å; R32-L35 PolarHBondContact O-N 3.45Å; L35-Y38 PolarHBondContact O-N 3.33Å; L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.4Å |
| 36 | N | 78.3 | Confident | 72.9 | Confident | 83 Ų | 83 | 78.2 Ų | 78.2 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 174.5 | -74.4 | -3.4 | 0 | 0 | 0 | 110.8 | R32 S33 Y38 V39 D40 | R32-N36 WeakPolarHBondContact O-CB 3.21Å; R32-N36 PolarHBondContact O-N 3.31Å; R32-N36 PolarHBondContact O-OD1 3.01Å; S33-N36 PolarHBondContact O-N 3.45Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.78Å; N36-V39 PolarHBondContact O-N 3.41Å; N36-D40 WeakPolarHBondContact O-CB 2.96Å; N36-D40 VanDerWaalsContact O-CG 3.26Å; N36-D40 PolarHBondContact O-N 3.4Å |
| 37 | C | 80.3 | Confident | 73.3 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 10% | 0.095 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.8 | -45.4 | 174 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | S33 V34 D40 C41 C59 F70 | S33-C37 PolarHBondContact O-N 2.86Å; V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 3.2Å; C37-D40 PolarHBondContact O-N 3.49Å; C37-C41 VanDerWaalsContact O-CB 3.23Å; C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.29Å; C37-C59 HydrophobicContact CB-CB 3.77Å; C37-C59 WeakPolarHBondContact CB-SG 3.19Å; C37-C59 PolarHBondContact O-SG 2.93Å; C37-C59 VanDerWaalsContact O-SG 3.4Å; C37-C59 WeakPolarHBondContact SG-CB 3.28Å; C37-C59 CovalentContact SG-SG 2.06Å; C37-C59 PolarHBondContact SG-SG 3.01Å; C37-F70 HydrophobicContact CB-CE2 4.4Å; C37-F70 HydrophobicContact CB-CZ 4.44Å |
| 38 | Y | 80 | Confident | 73.8 | Confident | 45 Ų | 45 | 81.4 Ų | 81.4 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | -177.5 | 176.2 | -98.8 | 0 | 0 | 0 | 112.1 | V34 L35 N36 C41 L42 N52 C55 F56 C59 F60 | V34-Y38 WeakPolarHBondContact O-CB 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; L35-Y38 PolarHBondContact O-N 3.33Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.78Å; Y38-C41 PolarHBondContact O-N 3.4Å; Y38-L42 HydrophobicContact CD1-CD1 3.97Å; Y38-L42 HydrophobicContact CE1-CD1 3.35Å; Y38-L42 HydrophobicContact CE1-CG 4.23Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 HydrophobicContact CE2-CG 4.49Å; Y38-L42 WeakPolarHBondContact O-CG 3.4Å; Y38-L42 PolarHBondContact O-N 3.05Å; Y38-N52 WeakPolarHBondContact CE2-OD1 3.03Å; Y38-N52 VanDerWaalsContact OH-CG 3.29Å; Y38-N52 PolarHBondContact OH-OD1 3.14Å; Y38-C55 HydrophobicContact CD2-CB 3.72Å; Y38-C55 HydrophobicContact CE2-CB 3.9Å; Y38-F56 HydrophobicContact CE2-CB 4.26Å; Y38-C59 PolarHBondContact N-SG 3.18Å; Y38-F60 HydrophobicContact CD2-CE2 4.18Å; Y38-F60 HydrophobicContact CG-CE2 4.2Å |
| 39 | V | 79.3 | Confident | 74 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L35 N36 C41 L42 L43 | L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.4Å; N36-V39 PolarHBondContact O-N 3.41Å; V39-C41 VanDerWaalsContact C-N 3.27Å; V39-C41 PolarHBondContact O-N 3.42Å; V39-L42 PolarHBondContact O-N 3.28Å; V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CB 3.43Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.34Å; V39-L43 PolarHBondContact O-N 3.22Å |
| 40 | D | 80.6 | Confident | 74 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 176.4 | -70.9 | -20 | 0 | 0 | 0 | 111.6 | N36 C37 N44 | N36-D40 WeakPolarHBondContact O-CB 2.96Å; N36-D40 VanDerWaalsContact O-CG 3.26Å; N36-D40 PolarHBondContact O-N 3.4Å; C37-D40 PolarHBondContact O-N 3.49Å; D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 VanDerWaalsContact O-N 3.12Å; D40-N44 PolarHBondContact O-ND2 2.84Å |
| 41 | C | 80.5 | Confident | 74 | Confident | 14 Ų | 14 | 83 Ų | 83 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 175.3 | -179 | 0 | 0 | 0 | 0 | 111.2 | C37 Y38 V39 L43 N44 S45 C55 | C37-C41 VanDerWaalsContact O-CB 3.23Å; C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.29Å; Y38-C41 PolarHBondContact O-N 3.4Å; V39-C41 VanDerWaalsContact C-N 3.27Å; V39-C41 PolarHBondContact O-N 3.42Å; C41-L43 VanDerWaalsContact C-N 3.35Å; C41-L43 PolarHBondContact O-N 2.82Å; C41-N44 PolarHBondContact O-N 3.44Å; C41-S45 WeakPolarHBondContact O-CB 3.41Å; C41-S45 PolarHBondContact O-N 3.31Å; C41-S45 VanDerWaalsContact O-N 3.15Å; C41-C55 HydrophobicContact CB-CB 3.65Å; C41-C55 WeakPolarHBondContact CB-SG 3.34Å; C41-C55 WeakPolarHBondContact SG-CA 3.45Å; C41-C55 WeakPolarHBondContact SG-CB 3.43Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 2.06Å |
| 42 | L | 78 | Confident | 74.1 | Confident | 47 Ų | 47 | 82.3 Ų | 82.3 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.4 | -77.8 | 177.5 | 0 | 0 | 0 | 112.6 | Y38 V39 N44 S45 | Y38-L42 HydrophobicContact CD1-CD1 3.97Å; Y38-L42 HydrophobicContact CE1-CD1 3.35Å; Y38-L42 HydrophobicContact CE1-CG 4.23Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 HydrophobicContact CE2-CG 4.49Å; Y38-L42 WeakPolarHBondContact O-CG 3.4Å; Y38-L42 PolarHBondContact O-N 3.05Å; V39-L42 PolarHBondContact O-N 3.28Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.34Å; L42-S45 PolarHBondContact O-N 3.1Å |
| 43 | L | 77 | Confident | 74.4 | Confident | 132 Ų | 132 | 79 Ų | 79 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -33.2 | 178.5 | -74.7 | 172.7 | 0 | 0 | 0 | 112.9 | V39 C41 S45 | V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CB 3.43Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.34Å; V39-L43 PolarHBondContact O-N 3.22Å; C41-L43 VanDerWaalsContact C-N 3.35Å; C41-L43 PolarHBondContact O-N 2.82Å; L43-S45 VanDerWaalsContact C-N 3.32Å |
| 44 | N | 75.6 | Confident | 74.6 | Confident | 151 Ų | 151 | 83.3 Ų | 83.3 | 81% | 0.807 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -84.6 | -5.3 | 177 | -77.8 | -24.4 | 0 | 0 | 0 | 113.6 | D40 C41 L42 | D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 VanDerWaalsContact O-N 3.12Å; D40-N44 PolarHBondContact O-ND2 2.84Å; C41-N44 PolarHBondContact O-N 3.44Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.34Å |
| 45 | S | 71.2 | Confident | 74.6 | Confident | 32 Ų | 32 | 82.5 Ų | 82.5 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -99 | 163.3 | -176.3 | -145.4 | 0 | 0 | 0 | 0 | 112.9 | C41 L42 L43 N47 D51 | C41-S45 WeakPolarHBondContact O-CB 3.41Å; C41-S45 PolarHBondContact O-N 3.31Å; C41-S45 VanDerWaalsContact O-N 3.15Å; L42-S45 PolarHBondContact O-N 3.1Å; L43-S45 VanDerWaalsContact C-N 3.32Å; S45-N47 PolarHBondContact O-N 3.38Å; S45-N47 VanDerWaalsContact O-N 3.12Å; S45-D51 WeakPolarHBondContact CB-OD2 3.23Å; S45-D51 WeakPolarHBondContact OG-CB 3.12Å; S45-D51 PolarHBondContact OG-OD1 2.96Å; S45-D51 PolarHBondContact OG-OD2 2.97Å |
| 46 | T | 69.6 | Low | 74.5 | Confident | 113 Ų | 113 | 82.7 Ų | 82.7 | 69% | 0.693 | 43% | 0.429 | S | S | * | . | trans | -76.4 | 10.4 | -176.3 | 45.1 | 0 | 0 | 0 | 0 | 114.6 | D48 D51 | T46-D48 PolarHBondContact OG1-OD2 2.88Å; T46-D51 PolarHBondContact N-OD2 3.03Å; T46-D51 VanDerWaalsContact N-OD2 3.14Å | ||
| 47 | N | 61.4 | Low | 74.5 | Confident | 139 Ų | 139 | 82.4 Ų | 82.4 | 74% | 0.743 | 43% | 0.427 | S | S | * | . | trans | 65.1 | 31.1 | -177.3 | -67.2 | -54.5 | 0 | 0 | 0 | 114.5 | S45 D51 | S45-N47 PolarHBondContact O-N 3.38Å; S45-N47 VanDerWaalsContact O-N 3.12Å; N47-D51 PolarHBondContact N-OD2 3.44Å; N47-D51 VanDerWaalsContact N-OD2 3.11Å | ||
| 48 | D | 65.7 | Low | 74.2 | Confident | 96 Ų | 96 | 83.2 Ų | 83.2 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | trans | -83.7 | 148.7 | 172.1 | -77.7 | -54.6 | 0 | 0 | 0 | 111.4 | T46 Q50 D51 | T46-D48 PolarHBondContact OG1-OD2 2.88Å; D48-Q50 PolarHBondContact O-N 3.44Å; D48-Q50 VanDerWaalsContact O-N 3.08Å; D48-D51 PolarHBondContact N-OD2 2.91Å; D48-D51 WeakPolarHBondContact O-CA 3.1Å; D48-D51 WeakPolarHBondContact O-CB 3.32Å; D48-D51 PolarHBondContact O-N 3.43Å | ||
| 49 | I | 64.8 | Low | 74 | Confident | 151 Ų | 151 | 81.2 Ų | 81.2 | 77% | 0.774 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.7 | -28 | 174.9 | -64.3 | 172.2 | 0 | 0 | 0 | 111 | D51 N52 | I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.49Å; I49-N52 PolarHBondContact O-N 3.33Å |
| 50 | Q | 66 | Low | 73.8 | Confident | 157 Ų | 157 | 82.2 Ų | 82.2 | 73% | 0.734 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65 | -32.1 | 174.7 | -65 | -171 | -9.7 | 0 | 0 | 112.5 | D48 N52 N53 Y54 | D48-Q50 PolarHBondContact O-N 3.44Å; D48-Q50 VanDerWaalsContact O-N 3.08Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 2.74Å; Q50-N53 PolarHBondContact O-N 3.41Å; Q50-Y54 PolarHBondContact O-N 2.94Å |
| 51 | D | 68.4 | Low | 73.1 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.4 | -36.3 | -179.1 | -57.2 | -16.8 | 0 | 0 | 0 | 111 | S45 T46 N47 D48 I49 N53 Y54 C55 | S45-D51 WeakPolarHBondContact CB-OD2 3.23Å; S45-D51 WeakPolarHBondContact OG-CB 3.12Å; S45-D51 PolarHBondContact OG-OD1 2.96Å; S45-D51 PolarHBondContact OG-OD2 2.97Å; T46-D51 PolarHBondContact N-OD2 3.03Å; T46-D51 VanDerWaalsContact N-OD2 3.14Å; N47-D51 PolarHBondContact N-OD2 3.44Å; N47-D51 VanDerWaalsContact N-OD2 3.11Å; D48-D51 PolarHBondContact N-OD2 2.91Å; D48-D51 WeakPolarHBondContact O-CA 3.1Å; D48-D51 WeakPolarHBondContact O-CB 3.32Å; D48-D51 PolarHBondContact O-N 3.43Å; I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.49Å; D51-N53 PolarHBondContact O-N 3.5Å; D51-Y54 PolarHBondContact O-N 2.97Å; D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.15Å; D51-C55 PolarHBondContact O-N 2.89Å; D51-C55 PolarHBondContact O-SG 3.4Å |
| 52 | N | 75.1 | Confident | 72.3 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 36% | 0.358 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 176.1 | -176.7 | 7.2 | 0 | 0 | 0 | 111.3 | Y38 I49 Q50 Y54 C55 F56 | Y38-N52 WeakPolarHBondContact CE2-OD1 3.03Å; Y38-N52 VanDerWaalsContact OH-CG 3.29Å; Y38-N52 PolarHBondContact OH-OD1 3.14Å; I49-N52 PolarHBondContact O-N 3.33Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 2.74Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 3.28Å; N52-C55 PolarHBondContact O-N 3.11Å; N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.26Å; N52-F56 PolarHBondContact O-N 3.38Å |
| 53 | N | 78.7 | Confident | 71.1 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 178.5 | -77.9 | -15.7 | 0 | 0 | 0 | 111.8 | Q50 D51 N57 | Q50-N53 PolarHBondContact O-N 3.41Å; D51-N53 PolarHBondContact O-N 3.5Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 2.84Å; N53-N57 PolarHBondContact O-ND2 3.44Å |
| 54 | Y | 79.9 | Confident | 69.7 | Low | 138 Ų | 138 | 85.3 Ų | 85.3 | 54% | 0.541 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.5 | -53.9 | 174.2 | 175 | -99.3 | 0 | 0 | 0 | 111.4 | Q50 D51 N52 F56 N57 E58 | Q50-Y54 PolarHBondContact O-N 2.94Å; D51-Y54 PolarHBondContact O-N 2.97Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 3.28Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 2.81Å; Y54-N57 PolarHBondContact O-N 2.76Å; Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 3.48Å |
| 55 | C | 77.1 | Confident | 68.4 | Low | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | -180 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | Y38 C41 D51 N52 C59 | Y38-C55 HydrophobicContact CD2-CB 3.72Å; Y38-C55 HydrophobicContact CE2-CB 3.9Å; C41-C55 HydrophobicContact CB-CB 3.65Å; C41-C55 WeakPolarHBondContact CB-SG 3.34Å; C41-C55 WeakPolarHBondContact SG-CA 3.45Å; C41-C55 WeakPolarHBondContact SG-CB 3.43Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 2.06Å; D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.15Å; D51-C55 PolarHBondContact O-N 2.89Å; D51-C55 PolarHBondContact O-SG 3.4Å; N52-C55 PolarHBondContact O-N 3.11Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.36Å; C55-C59 PolarHBondContact O-N 3.44Å; C55-C59 PolarHBondContact O-SG 2.9Å; C55-C59 VanDerWaalsContact O-SG 3.38Å |
| 56 | F | 78.1 | Confident | 67.3 | Low | 89 Ų | 89 | 88.9 Ų | 88.9 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.4 | -177.4 | -92.2 | 0 | 0 | 0 | 111 | Y38 N52 Y54 E58 C59 F60 I61 | Y38-F56 HydrophobicContact CE2-CB 4.26Å; N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.26Å; N52-F56 PolarHBondContact O-N 3.38Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 2.81Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 3.45Å; F56-C59 PolarHBondContact O-N 2.82Å; F56-F60 HydrophobicContact CD1-CB 4.49Å; F56-F60 HydrophobicContact CD2-CB 4.3Å; F56-F60 AromaticContact CD2-CD2 3.39Å; F56-F60 HydrophobicContact CD2-CD2 3.39Å; F56-F60 AromaticContact CD2-CE2 3.78Å; F56-F60 HydrophobicContact CD2-CE2 3.78Å; F56-F60 AromaticContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CE1-CB 4.21Å; F56-F60 HydrophobicContact CE2-CB 4Å; F56-F60 HydrophobicContact CE2-CD1 4.07Å; F56-F60 AromaticContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CE1 4.46Å; F56-F60 HydrophobicContact CE2-CE2 4.04Å; F56-F60 AromaticContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CZ 4.44Å; F56-F60 HydrophobicContact CG-CD2 4.05Å; F56-F60 HydrophobicContact CZ-CB 3.96Å; F56-F60 HydrophobicContact CZ-CD2 4.42Å; F56-F60 HydrophobicContact CZ-CG 4.08Å; F56-F60 WeakPolarHBondContact O-CA 3.09Å; F56-F60 VanDerWaalsContact O-CB 3.26Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 2.68Å; F56-I61 HydrophobicContact CD1-CD1 4.47Å; F56-I61 HydrophobicContact CE1-CD1 4.28Å; F56-I61 HydrophobicContact CE1-CG1 4.29Å |
| 57 | N | 77.3 | Confident | 66.2 | Low | 78 Ų | 78 | 87.1 Ų | 87.1 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -61.8 | -43.9 | 178.6 | -72.6 | -11.9 | 0 | 0 | 0 | 111.2 | N53 Y54 C59 I61 T62 | N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 2.84Å; N53-N57 PolarHBondContact O-ND2 3.44Å; Y54-N57 PolarHBondContact O-N 2.76Å; N57-C59 PolarHBondContact O-N 3.16Å; N57-I61 HydrophobicContact CB-CD1 4.41Å; N57-I61 CarbonylContact O-C 3.57Å; N57-I61 WeakPolarHBondContact O-CA 3.46Å; N57-I61 VanDerWaalsContact O-CB 3.28Å; N57-I61 WeakPolarHBondContact O-CB 3.37Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 WeakPolarHBondContact OD1-CD1 3.5Å; N57-T62 PolarHBondContact O-N 3.13Å; N57-T62 PolarHBondContact O-OG1 2.81Å |
| 58 | E | 73.9 | Confident | 65.3 | Low | 30 Ų | 30 | 82.6 Ų | 82.6 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | I | π-helix | trans | -62.2 | -46 | -178.8 | -162.8 | -177.2 | -162.5 | 0 | 0 | 111.8 | Y54 F56 T62 K66 | Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 3.48Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 3.45Å; E58-T62 WeakPolarHBondContact CA-OG1 3.46Å; E58-T62 CarbonylContact O-C 3.28Å; E58-T62 VanDerWaalsContact O-C 3.28Å; E58-T62 PolarHBondContact O-OG1 3.3Å; E58-K66 HydrophobicContact CG-CD 4.46Å; E58-K66 WeakPolarHBondContact OE1-CD 3.18Å; E58-K66 WeakPolarHBondContact OE1-CE 2.79Å; E58-K66 IonicContact OE1-NZ 2.81Å; E58-K66 PolarHBondContact OE1-NZ 2.98Å; E58-K66 IonicContact OE2-NZ 2.65Å; E58-K66 PolarHBondContact OE2-NZ 2.98Å |
| 59 | C | 76.2 | Confident | 64.2 | Low | 4 Ų | 4 | 85.6 Ų | 85.6 | 3% | 0.027 | 42% | 0.424 | C | S | . | . | I | π-helix | trans | -89.8 | -36.2 | -172.9 | -60 | 0 | 0 | 0 | 0 | 113.6 | V34 C37 Y38 C55 F56 N57 | V34-C59 HydrophobicContact CG1-CB 4.14Å; V34-C59 WeakPolarHBondContact CG1-O 3.26Å; C37-C59 HydrophobicContact CB-CB 3.77Å; C37-C59 WeakPolarHBondContact CB-SG 3.19Å; C37-C59 PolarHBondContact O-SG 2.93Å; C37-C59 VanDerWaalsContact O-SG 3.4Å; C37-C59 WeakPolarHBondContact SG-CB 3.28Å; C37-C59 CovalentContact SG-SG 2.06Å; C37-C59 PolarHBondContact SG-SG 3.01Å; Y38-C59 PolarHBondContact N-SG 3.18Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.36Å; C55-C59 PolarHBondContact O-N 3.44Å; C55-C59 PolarHBondContact O-SG 2.9Å; C55-C59 VanDerWaalsContact O-SG 3.38Å; F56-C59 PolarHBondContact O-N 2.82Å; N57-C59 PolarHBondContact O-N 3.16Å |
| 60 | F | 73.9 | Confident | 63.2 | Low | 84 Ų | 84 | 83 Ų | 83 | 37% | 0.368 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -95.9 | -32.6 | -177 | -68.7 | -96.5 | 0 | 0 | 0 | 113.7 | V34 Y38 F56 | V34-F60 HydrophobicContact CG1-CB 4.44Å; V34-F60 HydrophobicContact CG1-CD1 3.51Å; V34-F60 HydrophobicContact CG1-CD2 3.73Å; V34-F60 HydrophobicContact CG1-CE1 3.52Å; V34-F60 HydrophobicContact CG1-CE2 3.76Å; V34-F60 HydrophobicContact CG1-CG 3.62Å; V34-F60 HydrophobicContact CG1-CZ 3.65Å; Y38-F60 HydrophobicContact CD2-CE2 4.18Å; Y38-F60 HydrophobicContact CG-CE2 4.2Å; F56-F60 HydrophobicContact CD1-CB 4.49Å; F56-F60 HydrophobicContact CD2-CB 4.3Å; F56-F60 AromaticContact CD2-CD2 3.39Å; F56-F60 HydrophobicContact CD2-CD2 3.39Å; F56-F60 AromaticContact CD2-CE2 3.78Å; F56-F60 HydrophobicContact CD2-CE2 3.78Å; F56-F60 AromaticContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CE1-CB 4.21Å; F56-F60 HydrophobicContact CE2-CB 4Å; F56-F60 HydrophobicContact CE2-CD1 4.07Å; F56-F60 AromaticContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CE1 4.46Å; F56-F60 HydrophobicContact CE2-CE2 4.04Å; F56-F60 AromaticContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CZ 4.44Å; F56-F60 HydrophobicContact CG-CD2 4.05Å; F56-F60 HydrophobicContact CZ-CB 3.96Å; F56-F60 HydrophobicContact CZ-CD2 4.42Å; F56-F60 HydrophobicContact CZ-CG 4.08Å; F56-F60 WeakPolarHBondContact O-CA 3.09Å; F56-F60 VanDerWaalsContact O-CB 3.26Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 2.68Å |
| 61 | I | 67.1 | Low | 62.1 | Low | 107 Ų | 107 | 83.2 Ų | 83.2 | 55% | 0.549 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -99.5 | -41.1 | -174 | -54.7 | -173.2 | 0 | 0 | 0 | 111.8 | F56 N57 P63 | F56-I61 HydrophobicContact CD1-CD1 4.47Å; F56-I61 HydrophobicContact CE1-CD1 4.28Å; F56-I61 HydrophobicContact CE1-CG1 4.29Å; N57-I61 HydrophobicContact CB-CD1 4.41Å; N57-I61 CarbonylContact O-C 3.57Å; N57-I61 WeakPolarHBondContact O-CA 3.46Å; N57-I61 VanDerWaalsContact O-CB 3.28Å; N57-I61 WeakPolarHBondContact O-CB 3.37Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 WeakPolarHBondContact OD1-CD1 3.5Å; I61-P63 WeakPolarHBondContact O-CD 3.24Å |
| 62 | T | 63.2 | Low | 60.6 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | trans | -116 | 61.7 | 178.9 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | N57 E58 N64 | N57-T62 PolarHBondContact O-N 3.13Å; N57-T62 PolarHBondContact O-OG1 2.81Å; E58-T62 WeakPolarHBondContact CA-OG1 3.46Å; E58-T62 CarbonylContact O-C 3.28Å; E58-T62 VanDerWaalsContact O-C 3.28Å; E58-T62 PolarHBondContact O-OG1 3.3Å; T62-N64 PolarHBondContact O-N 2.65Å | ||
| 63 | P | 52.6 | Low | 58.7 | Low | 29 Ų | 29 | 94.5 Ų | 94.5 | 19% | 0.188 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.4 | -18.6 | 177.9 | 27.7 | -35 | 0 | 0 | 0 | 112.6 | I61 R67 | I61-P63 WeakPolarHBondContact O-CD 3.24Å; P63-R67 HydrophobicContact CB-CG 4.38Å; P63-R67 WeakPolarHBondContact O-CB 3.2Å; P63-R67 WeakPolarHBondContact O-CG 3.49Å; P63-R67 PolarHBondContact O-N 2.94Å |
| 64 | N | 48.9 | Very low | 56.6 | Low | 131 Ų | 131 | 96 Ų | 96 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.5 | -23.5 | -167.8 | -69.2 | -18.3 | 0 | 0 | 0 | 115.7 | T62 | T62-N64 PolarHBondContact O-N 2.65Å |
| 65 | E | 48.5 | Very low | 55.5 | Low | 177 Ų | 177 | 94 Ų | 94 | 83% | 0.827 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -83.2 | -31.6 | 179.7 | -84.8 | -173.3 | 156.3 | 0 | 0 | 113.1 | ||
| 66 | K | 47.4 | Very low | 54.3 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 35% | 0.348 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -99.1 | -19.1 | 176.3 | -80.3 | -175.2 | 171.4 | 164.5 | 0 | 114.8 | E58 G68 K69 F70 | E58-K66 HydrophobicContact CG-CD 4.46Å; E58-K66 WeakPolarHBondContact OE1-CD 3.18Å; E58-K66 WeakPolarHBondContact OE1-CE 2.79Å; E58-K66 IonicContact OE1-NZ 2.81Å; E58-K66 PolarHBondContact OE1-NZ 2.98Å; E58-K66 IonicContact OE2-NZ 2.65Å; E58-K66 PolarHBondContact OE2-NZ 2.98Å; K66-G68 PolarHBondContact O-N 3.21Å; K66-K69 WeakPolarHBondContact O-CA 3.17Å; K66-K69 PolarHBondContact O-N 3.08Å; K66-F70 HydrophobicContact CB-CD2 4.22Å; K66-F70 HydrophobicContact CB-CE2 4.06Å; K66-F70 VanDerWaalsContact O-CD2 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.1Å; K66-F70 PolarHBondContact O-N 3.18Å; K66-F70 VanDerWaalsContact O-N 3.08Å |
| 67 | R | 47 | Very low | 53 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 29% | 0.287 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -54.9 | -36 | 172.4 | -90.1 | 178.2 | 179.5 | 163.3 | 12.4 | 112.1 | P63 K69 F70 F71 | P63-R67 HydrophobicContact CB-CG 4.38Å; P63-R67 WeakPolarHBondContact O-CB 3.2Å; P63-R67 WeakPolarHBondContact O-CG 3.49Å; P63-R67 PolarHBondContact O-N 2.94Å; R67-K69 PolarHBondContact O-N 3.29Å; R67-F70 PolarHBondContact O-N 3.21Å; R67-F71 HydrophobicContact CB-CD2 4Å; R67-F71 HydrophobicContact CB-CE2 3.99Å; R67-F71 HydrophobicContact CG-CD2 4.33Å; R67-F71 HydrophobicContact CG-CE2 3.85Å; R67-F71 WeakPolarHBondContact O-CD2 3.13Å; R67-F71 PolarHBondContact O-N 2.98Å |
| 68 | G | 41.6 | Very low | 51.6 | Low | 44 Ų | 44 | 100.7 Ų | 100.7 | 45% | 0.454 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.1 | -26.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K66 M72 | K66-G68 PolarHBondContact O-N 3.21Å; G68-M72 VanDerWaalsContact O-CG 3.32Å; G68-M72 WeakPolarHBondContact O-CG 3.32Å |
| 69 | K | 42.7 | Very low | 50.2 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -88.3 | -37.6 | 173.8 | -80.8 | -178.3 | 173 | 178.7 | 0 | 113.1 | K66 R67 M72 | K66-K69 WeakPolarHBondContact O-CA 3.17Å; K66-K69 PolarHBondContact O-N 3.08Å; R67-K69 PolarHBondContact O-N 3.29Å; K69-M72 PolarHBondContact O-N 2.88Å |
| 70 | F | 44.1 | Very low | 48.5 | Very low | 97 Ų | 97 | 111.9 Ų | 111.9 | 43% | 0.425 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.8 | -30.8 | 178.6 | -73.6 | -74.5 | 0 | 0 | 0 | 113.1 | C37 K66 R67 M72 | C37-F70 HydrophobicContact CB-CE2 4.4Å; C37-F70 HydrophobicContact CB-CZ 4.44Å; K66-F70 HydrophobicContact CB-CD2 4.22Å; K66-F70 HydrophobicContact CB-CE2 4.06Å; K66-F70 VanDerWaalsContact O-CD2 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.1Å; K66-F70 PolarHBondContact O-N 3.18Å; K66-F70 VanDerWaalsContact O-N 3.08Å; R67-F70 PolarHBondContact O-N 3.21Å; F70-M72 VanDerWaalsContact C-N 3.32Å |
| 71 | F | 42.3 | Very low | 46.6 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -5.1 | 173.6 | -71.9 | -71.2 | 0 | 0 | 0 | 114.1 | R67 | R67-F71 HydrophobicContact CB-CD2 4Å; R67-F71 HydrophobicContact CB-CE2 3.99Å; R67-F71 HydrophobicContact CG-CD2 4.33Å; R67-F71 HydrophobicContact CG-CE2 3.85Å; R67-F71 WeakPolarHBondContact O-CD2 3.13Å; R67-F71 PolarHBondContact O-N 2.98Å |
| 72 | M | 37.7 | Very low | 45.1 | Very low | 162 Ų | 162 | 114.4 Ų | 114.4 | 80% | 0.798 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2.7 | 176.1 | -81.5 | -172.5 | 144.5 | 0 | 0 | 114 | G68 K69 F70 | G68-M72 VanDerWaalsContact O-CG 3.32Å; G68-M72 WeakPolarHBondContact O-CG 3.32Å; K69-M72 PolarHBondContact O-N 2.88Å; F70-M72 VanDerWaalsContact C-N 3.32Å |
| 73 | L | 35 | Very low | 43.6 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -105.8 | 24 | 174.1 | -84.8 | 158.8 | 0 | 0 | 0 | 113 | ||||
| 74 | G | 35 | Very low | 42.7 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 100% | 1.423 | 68% | 0.683 | S | S | * | * | trans | -126.9 | 0 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 74 of 74 residues in 110.8 ms
(Link to these results)