| 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 | 42.6 | Very low | 75.2 | Confident | 245 Ų | 245 | 119.1 Ų | 119.1 | 100% | 1.207 | 68% | 0.678 | S | S | * | * | 0 | 101 | 0 | -74.7 | -174.7 | -87.5 | 0 | 0 | 106.9 | A3 | M1-A3 PolarHBondContact O-N 3.4Š| |||
| 2 | A | 51 | Low | 76.2 | Confident | 101 Ų | 101 | 114.5 Ų | 114.5 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | trans | -74 | 116.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107 | Q4 | A2-Q4 PolarHBondContact O-N 3.31Š| ||
| 3 | A | 64.5 | Low | 77 | Confident | 92 Ų | 92 | 113.2 Ų | 113.2 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | trans | -61.1 | 122.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | M1 V5 | M1-A3 PolarHBondContact O-N 3.4Å; A3-V5 PolarHBondContact O-N 3.39Å; A3-V5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | Q | 72.2 | Confident | 77.7 | Confident | 187 Ų | 187 | 111.4 Ų | 111.4 | 87% | 0.874 | 64% | 0.641 | S | S | * | * | trans | -65.6 | 108.4 | 171.4 | -86.2 | 178.5 | -35.2 | 0 | 0 | 107.4 | A2 T6 | A2-Q4 PolarHBondContact O-N 3.31Å; Q4-T6 PolarHBondContact O-N 3.32Å | ||
| 5 | V | 77.7 | Confident | 78.4 | Confident | 108 Ų | 108 | 110.9 Ų | 110.9 | 66% | 0.655 | 64% | 0.635 | S | S | * | * | trans | -67.7 | 122.7 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | A3 D9 | A3-V5 PolarHBondContact O-N 3.39Å; A3-V5 VanDerWaalsContact O-N 3.08Å; V5-D9 HydrophobicContact CG1-CB 3.99Å | ||
| 6 | T | 84.7 | Confident | 78.9 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.423 | 63% | 0.629 | S | S | . | * | trans | -77.1 | 159.2 | 178.8 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | Q4 E8 D9 A10 | Q4-T6 PolarHBondContact O-N 3.32Å; T6-E8 VanDerWaalsContact C-N 3.26Å; T6-E8 PolarHBondContact O-N 3.31Å; T6-D9 PolarHBondContact N-OD2 2.64Å; T6-D9 PolarHBondContact O-N 2.8Å; T6-D9 PolarHBondContact OG1-N 3.25Å; T6-D9 PolarHBondContact OG1-OD2 3.01Å; T6-A10 PolarHBondContact O-N 3.38Å; T6-A10 VanDerWaalsContact O-N 3.08Å | ||
| 7 | L | 85.1 | Confident | 79.2 | Confident | 131 Ų | 131 | 110.6 Ų | 110.6 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.6 | -38.3 | 177.6 | -178.9 | 63.7 | 0 | 0 | 0 | 111.2 | D9 A10 L11 | L7-D9 VanDerWaalsContact C-N 3.35Å; L7-D9 PolarHBondContact O-N 2.85Å; L7-A10 PolarHBondContact O-N 2.74Å; L7-L11 HydrophobicContact CD1-CD1 4.45Å; L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.38Å |
| 8 | E | 88 | Confident | 79.3 | Confident | 154 Ų | 154 | 114.2 Ų | 114.2 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58 | -45 | 173.3 | -107.4 | 96.4 | -168.1 | 0 | 0 | 112 | T6 A10 L11 S12 | T6-E8 VanDerWaalsContact C-N 3.26Å; T6-E8 PolarHBondContact O-N 3.31Å; E8-A10 VanDerWaalsContact C-N 3.29Å; E8-A10 PolarHBondContact O-N 3.15Å; E8-L11 PolarHBondContact O-N 3.08Å; E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.45Å |
| 9 | D | 85.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 116.9 Ų | 116.9 | 44% | 0.444 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.6 | -36.9 | 178.9 | -63.6 | -41.1 | 0 | 0 | 0 | 111.6 | V5 T6 L7 N13 | V5-D9 HydrophobicContact CG1-CB 3.99Å; T6-D9 PolarHBondContact N-OD2 2.64Å; T6-D9 PolarHBondContact O-N 2.8Å; T6-D9 PolarHBondContact OG1-N 3.25Å; T6-D9 PolarHBondContact OG1-OD2 3.01Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-D9 PolarHBondContact O-N 2.85Å; D9-N13 VanDerWaalsContact O-CG 3.32Å; D9-N13 PolarHBondContact O-N 3.43Å; D9-N13 VanDerWaalsContact O-N 3.12Å; D9-N13 PolarHBondContact O-ND2 3.15Å |
| 10 | A | 86.6 | Confident | 79.5 | Confident | 42 Ų | 42 | 116 Ų | 116 | 35% | 0.347 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T6 L7 E8 V14 | T6-A10 PolarHBondContact O-N 3.38Å; T6-A10 VanDerWaalsContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 2.74Å; E8-A10 VanDerWaalsContact C-N 3.29Å; E8-A10 PolarHBondContact O-N 3.15Å; A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 2.97Å |
| 11 | L | 89.4 | Confident | 79.4 | Confident | 98 Ų | 98 | 115.7 Ų | 115.7 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.2 | -44.4 | 177.7 | -68.8 | 170.8 | 0 | 0 | 0 | 111.5 | L7 E8 N13 V14 D15 | L7-L11 HydrophobicContact CD1-CD1 4.45Å; L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.38Å; E8-L11 PolarHBondContact O-N 3.08Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.21Å; L11-V14 WeakPolarHBondContact O-CA 3.42Å; L11-V14 WeakPolarHBondContact O-CB 3.49Å; L11-V14 PolarHBondContact O-N 2.95Å; L11-D15 PolarHBondContact O-N 3.15Å |
| 12 | S | 87.3 | Confident | 80.9 | Confident | 64 Ų | 64 | 110.9 Ų | 110.9 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -57.7 | -39.6 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | E8 V14 D15 L16 | E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.45Å; S12-V14 VanDerWaalsContact C-N 3.3Å; S12-V14 PolarHBondContact O-N 3.37Å; S12-D15 PolarHBondContact O-N 2.9Å; S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 3.02Å; S12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | N | 86.2 | Confident | 81.9 | Confident | 97 Ų | 97 | 111 Ų | 111 | 52% | 0.519 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.5 | -29.4 | 175.2 | -77.6 | -45 | 0 | 0 | 0 | 113.6 | D9 L11 | D9-N13 VanDerWaalsContact O-CG 3.32Å; D9-N13 PolarHBondContact O-N 3.43Å; D9-N13 VanDerWaalsContact O-N 3.12Å; D9-N13 PolarHBondContact O-ND2 3.15Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.21Å |
| 14 | V | 87.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 114 Ų | 114 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.6 | -41 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | A10 L11 S12 L16 L17 | A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 2.97Å; L11-V14 WeakPolarHBondContact O-CA 3.42Å; L11-V14 WeakPolarHBondContact O-CB 3.49Å; L11-V14 PolarHBondContact O-N 2.95Å; S12-V14 VanDerWaalsContact C-N 3.3Å; S12-V14 PolarHBondContact O-N 3.37Å; V14-L16 PolarHBondContact O-N 2.68Å; V14-L17 VanDerWaalsContact O-CB 3.29Å; V14-L17 WeakPolarHBondContact O-CB 3.38Å; V14-L17 PolarHBondContact O-N 3.42Å |
| 15 | D | 88.3 | Confident | 81.9 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -36.5 | 176.8 | -64.7 | -21.5 | 0 | 0 | 0 | 111.2 | L11 S12 L17 E18 | L11-D15 PolarHBondContact O-N 3.15Å; S12-D15 PolarHBondContact O-N 2.9Å; D15-L17 PolarHBondContact O-N 3.34Å; D15-E18 PolarHBondContact O-N 3.42Å; D15-E18 VanDerWaalsContact O-N 3.11Å |
| 16 | L | 86.8 | Confident | 81.7 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -20.2 | 173.9 | -72 | 172.1 | 0 | 0 | 0 | 114 | S12 V14 E18 | S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 3.02Å; S12-L16 VanDerWaalsContact O-N 3.11Å; V14-L16 PolarHBondContact O-N 2.68Å; L16-E18 VanDerWaalsContact C-N 3.35Å |
| 17 | L | 82.9 | Confident | 81.1 | Confident | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.1 | -21.5 | 176.4 | -61.3 | 173.8 | 0 | 0 | 0 | 112.5 | V14 D15 E19 L20 | V14-L17 VanDerWaalsContact O-CB 3.29Å; V14-L17 WeakPolarHBondContact O-CB 3.38Å; V14-L17 PolarHBondContact O-N 3.42Å; D15-L17 PolarHBondContact O-N 3.34Å; L17-E19 VanDerWaalsContact C-N 3.32Å; L17-L20 WeakPolarHBondContact O-CB 3.36Å; L17-L20 PolarHBondContact O-N 2.9Å |
| 18 | E | 81.9 | Confident | 80.5 | Confident | 174 Ų | 174 | 116.8 Ų | 116.8 | 81% | 0.813 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | 174.7 | -67.8 | -166.1 | 160.8 | 0 | 0 | 111.9 | D15 L16 | D15-E18 PolarHBondContact O-N 3.42Å; D15-E18 VanDerWaalsContact O-N 3.11Å; L16-E18 VanDerWaalsContact C-N 3.35Å |
| 19 | E | 80.9 | Confident | 80.1 | Confident | 167 Ų | 167 | 116.7 Ų | 116.7 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -89.4 | -0.9 | 178.3 | -62.1 | -167.3 | 170 | 0 | 0 | 113.3 | L17 P21 | L17-E19 VanDerWaalsContact C-N 3.32Å; E19-P21 VanDerWaalsContact O-CD 3.25Å; E19-P21 WeakPolarHBondContact O-CD 3.37Å |
| 20 | L | 81.3 | Confident | 79.8 | Confident | 98 Ų | 98 | 120.3 Ų | 120.3 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | trans | -70.2 | 116.4 | -179.4 | -166 | 84.8 | 0 | 0 | 0 | 109.6 | L17 L22 | L17-L20 WeakPolarHBondContact O-CB 3.36Å; L17-L20 PolarHBondContact O-N 2.9Å; L20-L22 HydrophobicContact CD2-CD2 4.44Å; L20-L22 PolarHBondContact O-N 3.41Å | ||
| 21 | P | 77.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -67.8 | 107.8 | 177 | 27.4 | -32.2 | 0 | 0 | 0 | 108.6 | E19 P23 | E19-P21 VanDerWaalsContact O-CD 3.25Å; E19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-P23 WeakPolarHBondContact O-CD 3.17Å | ||
| 22 | L | 74.9 | Confident | 79.2 | Confident | 143 Ų | 143 | 124.3 Ų | 124.3 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -72.7 | 114.1 | 170.2 | -64.5 | 175.7 | 0 | 0 | 0 | 107.5 | L20 D24 | L20-L22 HydrophobicContact CD2-CD2 4.44Å; L20-L22 PolarHBondContact O-N 3.41Å; L22-D24 PolarHBondContact O-N 3.43Å | ||
| 23 | P | 71.8 | Confident | 79 | Confident | 103 Ų | 103 | 127.6 Ų | 127.6 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | trans | -66.8 | 109.8 | 174.5 | 26.2 | -30.4 | 0 | 0 | 0 | 107.9 | P21 Q25 | P21-P23 WeakPolarHBondContact O-CD 3.17Å; P23-Q25 PolarHBondContact O-N 3.39Å | ||
| 24 | D | 67.5 | Low | 78.9 | Confident | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | trans | -69.4 | 21.7 | 176.7 | -127.3 | 9.4 | 0 | 0 | 0 | 112.7 | L22 Q26 | L22-D24 PolarHBondContact O-N 3.43Å; D24-Q26 PolarHBondContact O-N 3.37Å | ||
| 25 | Q | 68.5 | Low | 78.8 | Confident | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -75.1 | 63 | 176.7 | -66.4 | -173.1 | 9.9 | 0 | 0 | 109.5 | P23 P27 | P23-Q25 PolarHBondContact O-N 3.39Å; Q25-P27 WeakPolarHBondContact O-CD 3.35Å | ||
| 26 | Q | 73.6 | Confident | 78.6 | Confident | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -63.8 | 119.8 | 165.2 | -166.3 | 155.4 | 9.1 | 0 | 0 | 106.9 | D24 C28 | D24-Q26 PolarHBondContact O-N 3.37Å; Q26-C28 PolarHBondContact O-N 3.08Å; Q26-C28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | P | 72.9 | Confident | 78.5 | Confident | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -58.1 | 126.9 | 176.4 | 21.2 | -29.5 | 0 | 0 | 0 | 107.9 | Q25 I29 | Q25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-I29 VanDerWaalsContact O-CG1 3.31Å; P27-I29 WeakPolarHBondContact O-CG1 3.25Å; P27-I29 PolarHBondContact O-N 3Å | ||
| 28 | C | 72.4 | Confident | 78.4 | Confident | 114 Ų | 114 | 139.5 Ų | 139.5 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -67 | 99.9 | 174.9 | -167.7 | 0 | 0 | 0 | 0 | 107.9 | Q26 E30 | Q26-C28 PolarHBondContact O-N 3.08Å; Q26-C28 VanDerWaalsContact O-N 3.16Å; C28-E30 PolarHBondContact SG-O 3.21Å | ||
| 29 | I | 79.6 | Confident | 78.4 | Confident | 151 Ų | 151 | 139.5 Ų | 139.5 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -80.2 | -16.2 | 176.4 | -42.2 | -179 | 0 | 0 | 0 | 110 | P27 | P27-I29 VanDerWaalsContact O-CG1 3.31Å; P27-I29 WeakPolarHBondContact O-CG1 3.25Å; P27-I29 PolarHBondContact O-N 3Å | ||
| 30 | E | 79.6 | Confident | 78.2 | Confident | 160 Ų | 160 | 134.4 Ų | 134.4 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -81.5 | 128.5 | -178.4 | -64.1 | -172.5 | 174.6 | 0 | 0 | 110.9 | C28 | C28-E30 PolarHBondContact SG-O 3.21Š|
| 31 | P | 80.1 | Confident | 77.9 | Confident | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.6 | 169.9 | 27.2 | -32 | 0 | 0 | 0 | 109.8 | ||
| 32 | P | 82.1 | Confident | 77.8 | Confident | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58 | 148.2 | 174.1 | 25.3 | -33.6 | 0 | 0 | 0 | 110.6 | S34 | P32-S34 PolarHBondContact O-N 2.93Å; P32-S34 VanDerWaalsContact O-N 3.08Å |
| 33 | P | 83.1 | Confident | 77.9 | Confident | 134 Ų | 134 | 134.3 Ų | 134.3 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.8 | -179.1 | 23.9 | -32.7 | 0 | 0 | 0 | 110 | ||
| 34 | S | 83.8 | Confident | 78 | Confident | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 129.6 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | P32 L36 | P32-S34 PolarHBondContact O-N 2.93Å; P32-S34 VanDerWaalsContact O-N 3.08Å; S34-L36 PolarHBondContact O-N 2.83Å |
| 35 | S | 85.6 | Confident | 78.7 | Confident | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 116.6 | 173.2 | -66.2 | 0 | 0 | 0 | 0 | 109.3 | L37 | S35-L37 PolarHBondContact O-N 3.25Š|
| 36 | L | 84 | Confident | 79.1 | Confident | 170 Ų | 170 | 122.9 Ų | 122.9 | 89% | 0.89 | 67% | 0.667 | S | S | * | * | trans | -83.1 | 108.2 | 173 | -68.3 | 172.1 | 0 | 0 | 0 | 109.2 | S34 | S34-L36 PolarHBondContact O-N 2.83Š| ||
| 37 | L | 85.3 | Confident | 79.4 | Confident | 171 Ų | 171 | 121.2 Ų | 121.2 | 90% | 0.895 | 66% | 0.659 | S | S | * | * | trans | -84.2 | 115.9 | 167.7 | -96.1 | 153.8 | 0 | 0 | 0 | 108.8 | S35 | S35-L37 PolarHBondContact O-N 3.25Š| ||
| 38 | Y | 81.3 | Confident | 79.7 | Confident | 198 Ų | 198 | 120.8 Ų | 120.8 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | trans | -97.2 | 114.2 | 168 | 175.4 | -103.4 | 0 | 0 | 0 | 108.9 | P40 | Y38-P40 HydrophobicContact CE1-CB 4.01Å; Y38-P40 HydrophobicContact CE1-CG 4.17Å | ||
| 39 | Q | 80.4 | Confident | 80 | Confident | 175 Ų | 175 | 118.4 Ų | 118.4 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -115.2 | 112.3 | 170 | -173.2 | 171.6 | -8.6 | 0 | 0 | 108.4 | N41 | Q39-N41 PolarHBondContact O-N 3.46Š| ||
| 40 | P | 77.1 | Confident | 79.8 | Confident | 59 Ų | 59 | 116.5 Ų | 116.5 | 38% | 0.383 | 62% | 0.618 | S | S | . | * | trans | -66.9 | 123.7 | 174.8 | 26.5 | -31.1 | 0 | 0 | 0 | 109.1 | Y38 F42 | Y38-P40 HydrophobicContact CE1-CB 4.01Å; Y38-P40 HydrophobicContact CE1-CG 4.17Å; P40-F42 HydrophobicContact CB-CE2 3.98Å; P40-F42 HydrophobicContact CB-CZ 4.09Å; P40-F42 HydrophobicContact CG-CE2 4.16Å | ||
| 41 | N | 75 | Confident | 79.6 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | trans | -100.1 | 117.3 | 171.4 | -170.9 | -1.2 | 0 | 0 | 0 | 108.7 | Q39 N43 | Q39-N41 PolarHBondContact O-N 3.46Å; N41-N43 VanDerWaalsContact C-N 3.32Å; N41-N43 WeakPolarHBondContact OD1-CB 3.25Å; N41-N43 PolarHBondContact OD1-N 2.99Å | ||
| 42 | F | 76.1 | Confident | 79.1 | Confident | 177 Ų | 177 | 113.1 Ų | 113.1 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -93.6 | 7.8 | 175.7 | -62.2 | -78.7 | 0 | 0 | 0 | 112.5 | P40 T44 | P40-F42 HydrophobicContact CB-CE2 3.98Å; P40-F42 HydrophobicContact CB-CZ 4.09Å; P40-F42 HydrophobicContact CG-CE2 4.16Å; F42-T44 PolarHBondContact O-N 3.36Å | ||
| 43 | N | 77.1 | Confident | 78.2 | Confident | 59 Ų | 59 | 113.4 Ų | 113.4 | 32% | 0.316 | 60% | 0.604 | S | S | . | * | trans | -62.5 | 120.5 | 175.5 | -171.9 | -4.4 | 0 | 0 | 0 | 110.1 | N41 N45 E47 | N41-N43 VanDerWaalsContact C-N 3.32Å; N41-N43 WeakPolarHBondContact OD1-CB 3.25Å; N41-N43 PolarHBondContact OD1-N 2.99Å; N43-N45 PolarHBondContact O-N 3.3Å; N43-N45 WeakPolarHBondContact OD1-CB 3.26Å; N43-N45 PolarHBondContact OD1-N 2.95Å; N43-N45 PolarHBondContact OD1-ND2 3.44Å; N43-E47 PolarHBondContact ND2-OE1 3.5Å | ||
| 44 | T | 74.1 | Confident | 77.4 | Confident | 73 Ų | 73 | 114 Ų | 114 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | 11.9 | 176.8 | 55 | 0 | 0 | 0 | 0 | 113.3 | F42 F46 H66 | F42-T44 PolarHBondContact O-N 3.36Å; T44-F46 VanDerWaalsContact C-N 3.27Å; T44-F46 WeakPolarHBondContact O-CD2 3.33Å; T44-F46 WeakPolarHBondContact O-CE2 3.34Å; T44-H66 PolarHBondContact O-CE1 3.4Å; T44-H66 PolarHBondContact O-ND1 3.06Å; T44-H66 PolarHBondContact OG1-CE1 3.23Å |
| 45 | N | 80.4 | Confident | 76.2 | Confident | 27 Ų | 27 | 110.7 Ų | 110.7 | 14% | 0.144 | 59% | 0.588 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3 | 176.1 | -65.9 | -18.5 | 0 | 0 | 0 | 113.2 | N43 E47 R49 N70 | N43-N45 PolarHBondContact O-N 3.3Å; N43-N45 WeakPolarHBondContact OD1-CB 3.26Å; N43-N45 PolarHBondContact OD1-N 2.95Å; N43-N45 PolarHBondContact OD1-ND2 3.44Å; N45-E47 PolarHBondContact O-N 2.89Å; N45-R49 PolarHBondContact O-NH1 3.48Å; N45-N70 PolarHBondContact OD1-ND2 3.14Å |
| 46 | F | 78.1 | Confident | 75.2 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | trans | 48.2 | 55.1 | 173.3 | -55.4 | -79.2 | 0 | 0 | 0 | 111.7 | T44 D48 R49 A63 | T44-F46 VanDerWaalsContact C-N 3.27Å; T44-F46 WeakPolarHBondContact O-CD2 3.33Å; T44-F46 WeakPolarHBondContact O-CE2 3.34Å; F46-D48 PolarHBondContact O-N 3.3Å; F46-R49 HydrophobicContact CB-CB 4.29Å; F46-R49 VanDerWaalsContact O-CB 3.22Å; F46-R49 WeakPolarHBondContact O-CB 3.44Å; F46-R49 WeakPolarHBondContact O-CD 3.37Å; F46-R49 WeakPolarHBondContact O-CG 3.19Å; F46-R49 PolarHBondContact O-N 3.22Å; F46-R49 PolarHBondContact O-NH1 3.26Å; F46-A63 HydrophobicContact CB-CB 3.73Å; F46-A63 HydrophobicContact CD2-CB 3.71Å; F46-A63 HydrophobicContact CG-CB 3.83Å | ||
| 47 | E | 79.3 | Confident | 74.4 | Confident | 131 Ų | 131 | 105.8 Ų | 105.8 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -30.6 | -175.9 | -68.3 | 175.4 | -161.5 | 0 | 0 | 112.3 | N43 N45 R49 | N43-E47 PolarHBondContact ND2-OE1 3.5Å; N45-E47 PolarHBondContact O-N 2.89Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 2.76Å |
| 48 | D | 78.6 | Confident | 73.8 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.7 | 178.7 | 62.2 | -14.4 | 0 | 0 | 0 | 113.8 | F46 N50 A51 F52 | F46-D48 PolarHBondContact O-N 3.3Å; D48-N50 PolarHBondContact O-N 2.89Å; D48-A51 VanDerWaalsContact O-CB 3.28Å; D48-A51 WeakPolarHBondContact O-CB 3.46Å; D48-A51 PolarHBondContact O-N 2.65Å; D48-F52 HydrophobicContact CB-CE2 4.32Å; D48-F52 WeakPolarHBondContact O-CD2 3.48Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.42Å |
| 49 | R | 78.8 | Confident | 73.6 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 24% | 0.238 | 53% | 0.528 | C | S | . | . | G | 310 helix | trans | -50.1 | -31.6 | -179.9 | 63.9 | -172.5 | 178.3 | -103 | 3.3 | 114.1 | N45 F46 E47 A51 F52 A63 T64 | N45-R49 PolarHBondContact O-NH1 3.48Å; F46-R49 HydrophobicContact CB-CB 4.29Å; F46-R49 VanDerWaalsContact O-CB 3.22Å; F46-R49 WeakPolarHBondContact O-CB 3.44Å; F46-R49 WeakPolarHBondContact O-CD 3.37Å; F46-R49 WeakPolarHBondContact O-CG 3.19Å; F46-R49 PolarHBondContact O-N 3.22Å; F46-R49 PolarHBondContact O-NH1 3.26Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 2.76Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-F52 PolarHBondContact O-N 3.17Å; R49-A63 HydrophobicContact CB-CB 4.28Å; R49-T64 PolarHBondContact NE-OG1 3.18Å |
| 50 | N | 77.1 | Confident | 73.7 | Confident | 112 Ų | 112 | 93.7 Ų | 93.7 | 60% | 0.599 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -75.9 | -17.8 | 179.1 | -66.6 | -25.9 | 0 | 0 | 0 | 113.5 | D48 F52 V53 | D48-N50 PolarHBondContact O-N 2.89Å; N50-F52 VanDerWaalsContact C-N 3.29Å; N50-V53 WeakPolarHBondContact O-CG2 3.45Å |
| 51 | A | 75.4 | Confident | 73.9 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -75 | -22.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D48 R49 V53 | D48-A51 VanDerWaalsContact O-CB 3.28Å; D48-A51 WeakPolarHBondContact O-CB 3.46Å; D48-A51 PolarHBondContact O-N 2.65Å; R49-A51 VanDerWaalsContact C-N 3.33Å; A51-V53 PolarHBondContact O-N 3.24Å |
| 52 | F | 68.8 | Low | 74.4 | Confident | 120 Ų | 120 | 93.7 Ų | 93.7 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | trans | -96 | 47.9 | -178.1 | -62 | -81 | 0 | 0 | 0 | 112.8 | D48 R49 N50 T54 G55 | D48-F52 HydrophobicContact CB-CE2 4.32Å; D48-F52 WeakPolarHBondContact O-CD2 3.48Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.42Å; R49-F52 PolarHBondContact O-N 3.17Å; N50-F52 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 3.44Å; F52-G55 PolarHBondContact O-N 3.37Å | ||
| 53 | V | 63.9 | Low | 74.8 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 72% | 0.715 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.8 | -179.2 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | N50 A51 G55 | N50-V53 WeakPolarHBondContact O-CG2 3.45Å; A51-V53 PolarHBondContact O-N 3.24Å; V53-G55 VanDerWaalsContact C-N 3.32Å |
| 54 | T | 65.1 | Low | 75.3 | Confident | 146 Ų | 146 | 85.7 Ų | 85.7 | 90% | 0.896 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.3 | 177 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | F52 | F52-T54 PolarHBondContact O-N 3.44Š|
| 55 | G | 59.2 | Low | 76 | Confident | 35 Ų | 35 | 83 Ų | 83 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -76.4 | 155.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F52 V53 A57 | F52-G55 PolarHBondContact O-N 3.37Å; V53-G55 VanDerWaalsContact C-N 3.32Å; G55-A57 PolarHBondContact O-N 3.44Å |
| 56 | I | 64.1 | Low | 76.4 | Confident | 105 Ų | 105 | 85 Ų | 85 | 54% | 0.538 | 45% | 0.452 | S | S | . | . | trans | -47.6 | 112.7 | 176.6 | -52.2 | -178.4 | 0 | 0 | 0 | 109 | R58 Y59 | I56-R58 HydrophobicContact CG2-CB 3.81Å; I56-R58 PolarHBondContact O-N 2.87Å; I56-Y59 HydrophobicContact CB-CD2 3.84Å; I56-Y59 HydrophobicContact CB-CE2 3.94Å; I56-Y59 HydrophobicContact CD1-CE2 3.74Å; I56-Y59 HydrophobicContact CG1-CD2 4.4Å; I56-Y59 HydrophobicContact CG1-CE2 4.1Å; I56-Y59 PolarHBondContact O-N 2.88Å | ||
| 57 | A | 66.9 | Low | 77 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 63% | 0.628 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -50 | -25.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G55 Y59 I60 E61 | G55-A57 PolarHBondContact O-N 3.44Å; A57-Y59 VanDerWaalsContact C-N 3.35Å; A57-Y59 PolarHBondContact O-N 3.15Å; A57-I60 PolarHBondContact O-N 3Å; A57-E61 PolarHBondContact O-N 3.01Å |
| 58 | R | 72.6 | Confident | 77.5 | Confident | 100 Ų | 100 | 76 Ų | 76 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55 | -41.3 | 172.2 | -176.7 | 179.5 | -77.2 | -178.6 | -6.4 | 113.7 | I56 I60 E61 Q62 D151 | I56-R58 HydrophobicContact CG2-CB 3.81Å; I56-R58 PolarHBondContact O-N 2.87Å; R58-I60 VanDerWaalsContact C-N 3.34Å; R58-E61 PolarHBondContact O-N 3.4Å; R58-Q62 WeakPolarHBondContact O-CG 3.46Å; R58-Q62 PolarHBondContact O-N 3.45Å; R58-D151 VanDerWaalsContact CZ-CG 3.44Å; R58-D151 IonicContact CZ-OD1 2.83Å; R58-D151 VanDerWaalsContact CZ-OD1 3.24Å; R58-D151 IonicContact CZ-OD2 3.74Å; R58-D151 VanDerWaalsContact CZ-OD2 3.27Å; R58-D151 IonicContact NH1-OD1 2.72Å; R58-D151 PolarHBondContact NH1-OD1 3.24Å; R58-D151 IonicContact NH1-OD2 3.02Å; R58-D151 PolarHBondContact NH1-OD2 3.11Å; R58-D151 IonicContact NH2-OD1 3.37Å; R58-D151 PolarHBondContact NH2-OD1 3.39Å; R58-D151 IonicContact NH2-OD2 3.59Å; R58-D151 PolarHBondContact NH2-OD2 3.39Å |
| 59 | Y | 76.9 | Confident | 78.2 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.6 | -32.4 | -178.5 | -63.5 | -47.1 | 0 | 0 | 0 | 111.9 | I56 A57 Q62 A63 | I56-Y59 HydrophobicContact CB-CD2 3.84Å; I56-Y59 HydrophobicContact CB-CE2 3.94Å; I56-Y59 HydrophobicContact CD1-CE2 3.74Å; I56-Y59 HydrophobicContact CG1-CD2 4.4Å; I56-Y59 HydrophobicContact CG1-CE2 4.1Å; I56-Y59 PolarHBondContact O-N 2.88Å; A57-Y59 VanDerWaalsContact C-N 3.35Å; A57-Y59 PolarHBondContact O-N 3.15Å; Y59-Q62 PolarHBondContact O-N 2.93Å; Y59-A63 WeakPolarHBondContact O-CB 3.48Å; Y59-A63 PolarHBondContact O-N 3.49Å |
| 60 | I | 82.3 | Confident | 78.8 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 173.5 | -59.7 | 175.8 | 0 | 0 | 0 | 110.2 | A57 R58 A63 T64 | A57-I60 PolarHBondContact O-N 3Å; R58-I60 VanDerWaalsContact C-N 3.34Å; I60-A63 PolarHBondContact O-N 3.39Å; I60-T64 WeakPolarHBondContact O-CB 3.33Å; I60-T64 PolarHBondContact O-N 3.24Å; I60-T64 PolarHBondContact O-OG1 3.26Å |
| 61 | E | 82.3 | Confident | 79.6 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.1 | -169.5 | -157.5 | 145.2 | 0 | 0 | 111.2 | A57 R58 T64 V65 R142 | A57-E61 PolarHBondContact O-N 3.01Å; R58-E61 PolarHBondContact O-N 3.4Å; E61-T64 PolarHBondContact O-N 2.98Å; E61-V65 WeakPolarHBondContact O-CG2 3.49Å; E61-V65 PolarHBondContact O-N 3.25Å; E61-R142 IonicContact OE1-CZ 3.7Å; E61-R142 IonicContact OE1-NH1 3.24Å; E61-R142 PolarHBondContact OE1-NH1 3.41Å |
| 62 | Q | 84.1 | Confident | 80.5 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 178.5 | -74.3 | -173.3 | -17 | 0 | 0 | 112.4 | R58 Y59 T64 V65 H66 | R58-Q62 WeakPolarHBondContact O-CG 3.46Å; R58-Q62 PolarHBondContact O-N 3.45Å; Y59-Q62 PolarHBondContact O-N 2.93Å; Q62-T64 VanDerWaalsContact C-N 3.32Å; Q62-T64 PolarHBondContact O-N 3.42Å; Q62-V65 PolarHBondContact O-N 2.86Å; Q62-H66 VanDerWaalsContact O-CB 3.31Å; Q62-H66 WeakPolarHBondContact O-CB 3.43Å; Q62-H66 PolarHBondContact O-N 3.22Å |
| 63 | A | 86.2 | Confident | 81.8 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F46 R49 Y59 I60 H66 S67 | F46-A63 HydrophobicContact CB-CB 3.73Å; F46-A63 HydrophobicContact CD2-CB 3.71Å; F46-A63 HydrophobicContact CG-CB 3.83Å; R49-A63 HydrophobicContact CB-CB 4.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.48Å; Y59-A63 PolarHBondContact O-N 3.49Å; I60-A63 PolarHBondContact O-N 3.39Å; A63-H66 PolarHBondContact O-N 3.34Å; A63-S67 WeakPolarHBondContact O-CB 3.21Å; A63-S67 PolarHBondContact O-N 3.48Å |
| 64 | T | 87.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | R49 I60 E61 Q62 S68 | R49-T64 PolarHBondContact NE-OG1 3.18Å; I60-T64 WeakPolarHBondContact O-CB 3.33Å; I60-T64 PolarHBondContact O-N 3.24Å; I60-T64 PolarHBondContact O-OG1 3.26Å; E61-T64 PolarHBondContact O-N 2.98Å; Q62-T64 VanDerWaalsContact C-N 3.32Å; Q62-T64 PolarHBondContact O-N 3.42Å; T64-S68 WeakPolarHBondContact O-CB 3.26Å; T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 VanDerWaalsContact O-N 3.12Å |
| 65 | V | 88.8 | Confident | 84.8 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111 | E61 Q62 S68 M69 E139 | E61-V65 WeakPolarHBondContact O-CG2 3.49Å; E61-V65 PolarHBondContact O-N 3.25Å; Q62-V65 PolarHBondContact O-N 2.86Å; V65-S68 PolarHBondContact O-N 2.79Å; V65-M69 HydrophobicContact CG1-CE 3.88Å; V65-M69 HydrophobicContact CG1-CG 4.43Å; V65-M69 HydrophobicContact CG1-SD 4.36Å; V65-M69 WeakPolarHBondContact O-CG 3.49Å; V65-M69 PolarHBondContact O-N 3.02Å; V65-E139 VanDerWaalsContact CG1-CD 3.41Å; V65-E139 HydrophobicContact CG1-CG 4.29Å; V65-E139 WeakPolarHBondContact CG1-OE1 3.2Å; V65-E139 WeakPolarHBondContact CG1-OE2 3.48Å |
| 66 | H | 88.9 | Confident | 86.6 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 179.5 | -174.1 | -93.8 | 0 | 0 | 0 | 111.8 | T44 Q62 A63 S68 M69 N70 | T44-H66 PolarHBondContact O-CE1 3.4Å; T44-H66 PolarHBondContact O-ND1 3.06Å; T44-H66 PolarHBondContact OG1-CE1 3.23Å; Q62-H66 VanDerWaalsContact O-CB 3.31Å; Q62-H66 WeakPolarHBondContact O-CB 3.43Å; Q62-H66 PolarHBondContact O-N 3.22Å; A63-H66 PolarHBondContact O-N 3.34Å; H66-S68 VanDerWaalsContact C-N 3.31Å; H66-S68 PolarHBondContact O-N 2.92Å; H66-M69 PolarHBondContact O-N 3.29Å; H66-M69 VanDerWaalsContact O-N 3.13Å; H66-N70 PolarHBondContact CE1-ND2 2.98Å; H66-N70 PolarHBondContact ND1-ND2 3Å; H66-N70 PolarHBondContact O-N 3.09Å |
| 67 | S | 89.8 | Confident | 88.2 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.8 | -47.1 | 174.6 | -172 | 0 | 0 | 0 | 0 | 111.4 | A63 M69 N70 E71 | A63-S67 WeakPolarHBondContact O-CB 3.21Å; A63-S67 PolarHBondContact O-N 3.48Å; S67-M69 VanDerWaalsContact C-N 3.32Å; S67-M69 PolarHBondContact O-N 3.04Å; S67-N70 PolarHBondContact O-N 3.43Å; S67-E71 WeakPolarHBondContact O-CG 3.49Å; S67-E71 PolarHBondContact O-N 2.8Å |
| 68 | S | 90.4 | Very high | 89.7 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | T64 V65 H66 M72 R135 | T64-S68 WeakPolarHBondContact O-CB 3.26Å; T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 VanDerWaalsContact O-N 3.12Å; V65-S68 PolarHBondContact O-N 2.79Å; H66-S68 VanDerWaalsContact C-N 3.31Å; H66-S68 PolarHBondContact O-N 2.92Å; S68-M72 PolarHBondContact O-N 3.47Å; S68-R135 PolarHBondContact OG-NH1 3.48Å; S68-R135 PolarHBondContact OG-NH2 3.35Å |
| 69 | M | 92.3 | Very high | 90.9 | Very high | 66 Ų | 66 | 68 Ų | 68 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 172.8 | -74.1 | -176.5 | 175.1 | 0 | 0 | 112.1 | V65 H66 S67 M72 L73 E139 | V65-M69 HydrophobicContact CG1-CE 3.88Å; V65-M69 HydrophobicContact CG1-CG 4.43Å; V65-M69 HydrophobicContact CG1-SD 4.36Å; V65-M69 WeakPolarHBondContact O-CG 3.49Å; V65-M69 PolarHBondContact O-N 3.02Å; H66-M69 PolarHBondContact O-N 3.29Å; H66-M69 VanDerWaalsContact O-N 3.13Å; S67-M69 VanDerWaalsContact C-N 3.32Å; S67-M69 PolarHBondContact O-N 3.04Å; M69-M72 PolarHBondContact O-N 3.36Å; M69-L73 WeakPolarHBondContact O-CB 3.4Å; M69-L73 PolarHBondContact O-N 3.2Å; M69-E139 HydrophobicContact CE-CB 3.32Å; M69-E139 HydrophobicContact CE-CG 3.31Å |
| 70 | N | 92.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.3 | -78.1 | -16.6 | 0 | 0 | 0 | 111.7 | N45 H66 S67 M72 L73 E74 | N45-N70 PolarHBondContact OD1-ND2 3.14Å; H66-N70 PolarHBondContact CE1-ND2 2.98Å; H66-N70 PolarHBondContact ND1-ND2 3Å; H66-N70 PolarHBondContact O-N 3.09Å; S67-N70 PolarHBondContact O-N 3.43Å; N70-M72 VanDerWaalsContact C-N 3.29Å; N70-M72 PolarHBondContact O-N 3.46Å; N70-L73 WeakPolarHBondContact O-CB 3.28Å; N70-L73 PolarHBondContact O-N 2.85Å; N70-L73 VanDerWaalsContact O-N 3.08Å; N70-E74 WeakPolarHBondContact O-CG 3.41Å; N70-E74 PolarHBondContact O-N 3.41Å |
| 71 | E | 92.8 | Very high | 92.6 | Very high | 114 Ų | 114 | 65 Ų | 65 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 173.8 | -71.1 | 165.1 | -163.3 | 0 | 0 | 111.5 | S67 L73 E74 E75 | S67-E71 WeakPolarHBondContact O-CG 3.49Å; S67-E71 PolarHBondContact O-N 2.8Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.37Å; E71-E74 PolarHBondContact O-N 3.24Å; E71-E75 PolarHBondContact O-N 2.87Å |
| 72 | M | 95.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 176.8 | -178.6 | 177.7 | -74 | 0 | 0 | 112.9 | S68 M69 N70 G76 F128 A132 R135 | S68-M72 PolarHBondContact O-N 3.47Å; M69-M72 PolarHBondContact O-N 3.36Å; N70-M72 VanDerWaalsContact C-N 3.29Å; N70-M72 PolarHBondContact O-N 3.46Å; M72-G76 PolarHBondContact O-N 2.92Å; M72-F128 HydrophobicContact CG-CE2 3.89Å; M72-F128 HydrophobicContact CG-CZ 4.23Å; M72-F128 WeakPolarHBondContact O-CE2 3.41Å; M72-F128 WeakPolarHBondContact O-CZ 3.47Å; M72-A132 HydrophobicContact CG-CB 4.29Å; M72-A132 VanDerWaalsContact SD-CA 3.52Å; M72-A132 HydrophobicContact SD-CB 3.78Å; M72-R135 HydrophobicContact CE-CB 3.68Å; M72-R135 HydrophobicContact CE-CG 3.95Å; M72-R135 HydrophobicContact SD-CB 4.21Å; M72-R135 HydrophobicContact SD-CG 4.44Å |
| 73 | L | 95.3 | Very high | 93.7 | Very high | 120 Ų | 120 | 62.1 Ų | 62.1 | 63% | 0.628 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.1 | -42.1 | 175.5 | -178.1 | 64.9 | 0 | 0 | 0 | 111.2 | M69 N70 E71 G76 Q77 | M69-L73 WeakPolarHBondContact O-CB 3.4Å; M69-L73 PolarHBondContact O-N 3.2Å; N70-L73 WeakPolarHBondContact O-CB 3.28Å; N70-L73 PolarHBondContact O-N 2.85Å; N70-L73 VanDerWaalsContact O-N 3.08Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.37Å; L73-G76 PolarHBondContact O-N 3Å; L73-Q77 PolarHBondContact O-N 3.16Å |
| 74 | E | 95.1 | Very high | 94.2 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.2 | -49.6 | 174.8 | -72.4 | 176.1 | -171.4 | 0 | 0 | 111.2 | N70 E71 G76 Q77 E78 | N70-E74 WeakPolarHBondContact O-CG 3.41Å; N70-E74 PolarHBondContact O-N 3.41Å; E71-E74 PolarHBondContact O-N 3.24Å; E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.23Å; E74-Q77 WeakPolarHBondContact O-CB 3.2Å; E74-Q77 PolarHBondContact O-N 3.49Å; E74-E78 PolarHBondContact O-N 3.37Å |
| 75 | E | 97 | Very high | 94.7 | Very high | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 175 | -168.4 | -169.7 | 168.4 | 0 | 0 | 111.3 | E71 Q77 E78 Y79 F128 | E71-E75 PolarHBondContact O-N 2.87Å; E75-Q77 VanDerWaalsContact C-N 3.27Å; E75-Q77 PolarHBondContact O-N 2.92Å; E75-E78 WeakPolarHBondContact O-CB 3.3Å; E75-E78 PolarHBondContact O-N 2.91Å; E75-Y79 HydrophobicContact CG-CD2 4.29Å; E75-Y79 HydrophobicContact CG-CE2 3.76Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.35Å; E75-Y79 PolarHBondContact O-N 3.36Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.41Å; E75-F128 HydrophobicContact CB-CD2 4.35Å; E75-F128 HydrophobicContact CB-CE2 3.91Å; E75-F128 HydrophobicContact CG-CD2 3.89Å; E75-F128 HydrophobicContact CG-CE2 3.96Å; E75-F128 WeakPolarHBondContact OE1-CD2 2.99Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.47Å |
| 76 | G | 97.8 | Very high | 94.9 | Very high | 20 Ų | 20 | 75.6 Ų | 75.6 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M72 L73 E74 Y79 A80 | M72-G76 PolarHBondContact O-N 2.92Å; L73-G76 PolarHBondContact O-N 3Å; E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.23Å; G76-Y79 PolarHBondContact O-N 3.47Å; G76-A80 PolarHBondContact O-N 3.08Å |
| 77 | Q | 97.6 | Very high | 95.1 | Very high | 122 Ų | 122 | 82.4 Ų | 82.4 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | 176.4 | -171.9 | 64.9 | 10.3 | 0 | 0 | 111.5 | L73 E74 E75 Y79 A80 V81 | L73-Q77 PolarHBondContact O-N 3.16Å; E74-Q77 WeakPolarHBondContact O-CB 3.2Å; E74-Q77 PolarHBondContact O-N 3.49Å; E75-Q77 VanDerWaalsContact C-N 3.27Å; E75-Q77 PolarHBondContact O-N 2.92Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Q77-Y79 PolarHBondContact O-N 3Å; Q77-A80 WeakPolarHBondContact O-CB 3.38Å; Q77-A80 PolarHBondContact O-N 3.35Å; Q77-V81 WeakPolarHBondContact O-CG2 3.34Å; Q77-V81 PolarHBondContact O-N 3.36Å |
| 78 | E | 97.4 | Very high | 95 | Very high | 142 Ų | 142 | 86 Ų | 86 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 174 | -61.6 | -173.6 | 171.1 | 0 | 0 | 111.3 | E74 E75 A80 V81 M82 | E74-E78 PolarHBondContact O-N 3.37Å; E75-E78 WeakPolarHBondContact O-CB 3.3Å; E75-E78 PolarHBondContact O-N 2.91Å; E78-A80 PolarHBondContact O-N 2.93Å; E78-V81 PolarHBondContact O-N 3.48Å; E78-M82 WeakPolarHBondContact O-CB 3.26Å; E78-M82 PolarHBondContact O-N 3.5Å |
| 79 | Y | 98.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 86.3 Ų | 86.3 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 174.9 | -70.4 | -63.2 | 0 | 0 | 0 | 112.9 | E75 G76 Q77 V81 M82 L83 N124 F125 F128 | E75-Y79 HydrophobicContact CG-CD2 4.29Å; E75-Y79 HydrophobicContact CG-CE2 3.76Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.35Å; E75-Y79 PolarHBondContact O-N 3.36Å; E75-Y79 WeakPolarHBondContact OE1-CE2 3.41Å; G76-Y79 PolarHBondContact O-N 3.47Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Q77-Y79 PolarHBondContact O-N 3Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.2Å; Y79-M82 HydrophobicContact CD1-CE 3.93Å; Y79-M82 HydrophobicContact CD1-SD 4.21Å; Y79-M82 WeakPolarHBondContact O-CB 3.44Å; Y79-M82 PolarHBondContact O-N 2.91Å; Y79-L83 WeakPolarHBondContact O-CB 3.44Å; Y79-L83 WeakPolarHBondContact O-CG 3.5Å; Y79-L83 PolarHBondContact O-N 2.94Å; Y79-N124 HydrophobicContact CE1-CB 4.3Å; Y79-N124 PolarHBondContact OH-O 3.36Å; Y79-F125 HydrophobicContact CD1-CB 3.77Å; Y79-F125 AromaticContact CD1-CD2 3.8Å; Y79-F125 HydrophobicContact CD1-CD2 3.8Å; Y79-F125 HydrophobicContact CD1-CG 4.23Å; Y79-F125 HydrophobicContact CD2-CD2 4.28Å; Y79-F125 HydrophobicContact CE1-CB 3.9Å; Y79-F125 HydrophobicContact CG-CB 4.48Å; Y79-F125 AromaticContact CG-CD2 3.66Å; Y79-F125 HydrophobicContact CG-CD2 3.66Å; Y79-F125 HydrophobicContact CG-CE2 4.45Å; Y79-F128 HydrophobicContact CD2-CB 3.97Å; Y79-F128 AromaticContact CD2-CD1 3.45Å; Y79-F128 HydrophobicContact CD2-CD1 3.45Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.45Å; Y79-F128 HydrophobicContact CD2-CD2 4.09Å; Y79-F128 AromaticContact CD2-CE1 3.95Å; Y79-F128 HydrophobicContact CD2-CE1 3.95Å; Y79-F128 AromaticContact CD2-CG 3.54Å; Y79-F128 HydrophobicContact CD2-CG 3.54Å; Y79-F128 HydrophobicContact CD2-CZ 4.45Å; Y79-F128 HydrophobicContact CE2-CB 3.32Å; Y79-F128 AromaticContact CE2-CD1 3.74Å; Y79-F128 HydrophobicContact CE2-CD1 3.74Å; Y79-F128 AromaticContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CE2 4.5Å; Y79-F128 AromaticContact CE2-CG 3.29Å; Y79-F128 HydrophobicContact CE2-CG 3.29Å; Y79-F128 HydrophobicContact CG-CD1 4.35Å |
| 80 | A | 97.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 86.5 Ų | 86.5 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G76 Q77 E78 L83 Y84 | G76-A80 PolarHBondContact O-N 3.08Å; Q77-A80 WeakPolarHBondContact O-CB 3.38Å; Q77-A80 PolarHBondContact O-N 3.35Å; E78-A80 PolarHBondContact O-N 2.93Å; A80-L83 PolarHBondContact O-N 2.93Å; A80-Y84 WeakPolarHBondContact O-CB 3.34Å; A80-Y84 PolarHBondContact O-N 3.15Å |
| 81 | V | 97.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Q77 E78 Y79 L83 Y84 T85 | Q77-V81 WeakPolarHBondContact O-CG2 3.34Å; Q77-V81 PolarHBondContact O-N 3.36Å; E78-V81 PolarHBondContact O-N 3.48Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.2Å; V81-L83 PolarHBondContact O-N 3.39Å; V81-Y84 PolarHBondContact O-N 2.9Å; V81-T85 WeakPolarHBondContact O-CG2 3.4Å; V81-T85 PolarHBondContact O-N 3.39Å; V81-T85 PolarHBondContact O-OG1 3.01Å |
| 82 | M | 95.8 | Very high | 94 | Very high | 34 Ų | 34 | 94.9 Ų | 94.9 | 17% | 0.167 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 176 | -178.1 | -162.7 | 73.3 | 0 | 0 | 111.5 | E78 Y79 T85 W86 K121 F125 | E78-M82 WeakPolarHBondContact O-CB 3.26Å; E78-M82 PolarHBondContact O-N 3.5Å; Y79-M82 HydrophobicContact CD1-CE 3.93Å; Y79-M82 HydrophobicContact CD1-SD 4.21Å; Y79-M82 WeakPolarHBondContact O-CB 3.44Å; Y79-M82 PolarHBondContact O-N 2.91Å; M82-T85 CarbonylContact O-C 3.59Å; M82-T85 PolarHBondContact O-N 3.44Å; M82-T85 PolarHBondContact O-OG1 3.42Å; M82-W86 HydrophobicContact CG-CE3 4.24Å; M82-W86 HydrophobicContact CG-CZ3 4.47Å; M82-W86 PolarHBondContact O-N 3.11Å; M82-W86 HydrophobicContact SD-CZ3 4.35Å; M82-K121 HydrophobicContact SD-CB 3.78Å; M82-K121 HydrophobicContact SD-CD 4.34Å; M82-K121 HydrophobicContact SD-CG 4.22Å; M82-F125 HydrophobicContact CE-CB 4.11Å; M82-F125 HydrophobicContact CE-CG 4.44Å |
| 83 | L | 95.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 95 Ų | 95 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 179.5 | -70.9 | 173.5 | 0 | 0 | 0 | 112.3 | Y79 A80 V81 T85 W86 F125 | Y79-L83 WeakPolarHBondContact O-CB 3.44Å; Y79-L83 WeakPolarHBondContact O-CG 3.5Å; Y79-L83 PolarHBondContact O-N 2.94Å; A80-L83 PolarHBondContact O-N 2.93Å; V81-L83 PolarHBondContact O-N 3.39Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.89Å; L83-W86 VanDerWaalsContact O-CB 3.25Å; L83-W86 WeakPolarHBondContact O-CB 3.45Å; L83-W86 PolarHBondContact O-N 3.46Å; L83-F125 HydrophobicContact CD1-CE1 3.99Å; L83-F125 HydrophobicContact CD1-CE2 3.98Å; L83-F125 HydrophobicContact CD1-CZ 3.66Å |
| 84 | Y | 96.8 | Very high | 93.3 | Very high | 208 Ų | 208 | 93.3 Ų | 93.3 | 82% | 0.816 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.6 | -37.2 | 176.8 | 178.1 | -103.5 | 0 | 0 | 0 | 112.2 | A80 V81 | A80-Y84 WeakPolarHBondContact O-CB 3.34Å; A80-Y84 PolarHBondContact O-N 3.15Å; V81-Y84 PolarHBondContact O-N 2.9Å |
| 85 | T | 95.6 | Very high | 92.9 | Very high | 78 Ų | 78 | 95 Ų | 95 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -90.9 | -1.4 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | V81 M82 L83 R87 | V81-T85 WeakPolarHBondContact O-CG2 3.4Å; V81-T85 PolarHBondContact O-N 3.39Å; V81-T85 PolarHBondContact O-OG1 3.01Å; M82-T85 CarbonylContact O-C 3.59Å; M82-T85 PolarHBondContact O-N 3.44Å; M82-T85 PolarHBondContact O-OG1 3.42Å; L83-T85 VanDerWaalsContact C-N 3.26Å; L83-T85 PolarHBondContact O-N 2.89Å; T85-R87 PolarHBondContact O-N 3.31Å |
| 86 | W | 94.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 93.4 Ų | 93.4 | 31% | 0.307 | 48% | 0.477 | S | S | . | . | trans | -62.5 | 130.3 | -176.2 | -169 | -91.6 | 0 | 0 | 0 | 111.9 | M82 L83 E118 K121 L122 | M82-W86 HydrophobicContact CG-CE3 4.24Å; M82-W86 HydrophobicContact CG-CZ3 4.47Å; M82-W86 PolarHBondContact O-N 3.11Å; M82-W86 HydrophobicContact SD-CZ3 4.35Å; L83-W86 VanDerWaalsContact O-CB 3.25Å; L83-W86 WeakPolarHBondContact O-CB 3.45Å; L83-W86 PolarHBondContact O-N 3.46Å; W86-E118 HydrophobicContact CH2-CB 3.91Å; W86-E118 WeakPolarHBondContact CH2-O 3.31Å; W86-E118 WeakPolarHBondContact CH2-OE2 3.45Å; W86-E118 HydrophobicContact CZ2-CB 4.24Å; W86-E118 WeakPolarHBondContact CZ3-OE2 3.5Å; W86-K121 HydrophobicContact CH2-CB 4.35Å; W86-K121 HydrophobicContact CZ3-CB 4Å; W86-K121 HydrophobicContact CZ3-CD 3.95Å; W86-L122 HydrophobicContact CH2-CD1 4.09Å; W86-L122 HydrophobicContact CH2-CD2 3.84Å; W86-L122 HydrophobicContact CH2-CG 3.64Å; W86-L122 HydrophobicContact CZ2-CD1 3.85Å; W86-L122 HydrophobicContact CZ2-CD2 3.97Å; W86-L122 HydrophobicContact CZ2-CG 3.88Å; W86-L122 HydrophobicContact CZ3-CD2 4.15Å; W86-L122 HydrophobicContact CZ3-CG 4.33Å | ||
| 87 | R | 92.8 | Very high | 92.2 | Very high | 212 Ų | 212 | 101.6 Ų | 101.6 | 80% | 0.8 | 51% | 0.507 | S | S | * | . | trans | -130.2 | 129.5 | 173.6 | -70.8 | -163.1 | 170.4 | 82 | -0 | 110.5 | T85 C89 | T85-R87 PolarHBondContact O-N 3.31Å; R87-C89 PolarHBondContact O-N 3.38Å | ||
| 88 | S | 87.6 | Confident | 91.9 | Very high | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | trans | -65.9 | 127.2 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | S90 | S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 WeakPolarHBondContact OG-CB 3.5Å; S88-S90 PolarHBondContact OG-N 2.93Å; S88-S90 PolarHBondContact OG-OG 3.43Å | ||
| 89 | C | 86.7 | Confident | 91.3 | Very high | 36 Ų | 36 | 98.3 Ų | 98.3 | 24% | 0.243 | 50% | 0.502 | C | S | . | . | trans | -86.3 | -1.3 | 170.6 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | R87 R91 A92 I93 L115 | R87-C89 PolarHBondContact O-N 3.38Å; C89-R91 PolarHBondContact O-N 3.48Å; C89-R91 VanDerWaalsContact O-N 3.08Å; C89-A92 WeakPolarHBondContact O-CA 3.25Å; C89-A92 PolarHBondContact O-N 3.43Å; C89-I93 WeakPolarHBondContact O-CG1 3.35Å; C89-I93 PolarHBondContact O-N 3.37Å; C89-I93 VanDerWaalsContact O-N 3.15Å; C89-L115 VanDerWaalsContact SG-CD2 3.6Å | ||
| 90 | S | 84.9 | Confident | 90.9 | Very high | 69 Ų | 69 | 105.3 Ų | 105.3 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -36.9 | -176.7 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | S88 | S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 WeakPolarHBondContact OG-CB 3.5Å; S88-S90 PolarHBondContact OG-N 2.93Å; S88-S90 PolarHBondContact OG-OG 3.43Å |
| 91 | R | 87.8 | Confident | 90.6 | Very high | 241 Ų | 241 | 104.8 Ų | 104.8 | 91% | 0.909 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.6 | 178 | -73 | -172.1 | -81.7 | 175.4 | -7.1 | 113.8 | C89 | C89-R91 PolarHBondContact O-N 3.48Å; C89-R91 VanDerWaalsContact O-N 3.08Å |
| 92 | A | 87.6 | Confident | 90.3 | Very high | 82 Ų | 82 | 107.4 Ų | 107.4 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -19 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C89 P94 | C89-A92 WeakPolarHBondContact O-CA 3.25Å; C89-A92 PolarHBondContact O-N 3.43Å; A92-P94 WeakPolarHBondContact O-CD 3.37Å |
| 93 | I | 88.3 | Confident | 90.2 | Very high | 33 Ų | 33 | 108.9 Ų | 108.9 | 17% | 0.169 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -72.2 | 121.7 | -179 | -67.5 | 166.1 | 0 | 0 | 0 | 110 | C89 Q95 T111 L115 | C89-I93 WeakPolarHBondContact O-CG1 3.35Å; C89-I93 PolarHBondContact O-N 3.37Å; C89-I93 VanDerWaalsContact O-N 3.15Å; I93-Q95 PolarHBondContact O-N 3.1Å; I93-T111 HydrophobicContact CG2-CG2 3.77Å; I93-L115 HydrophobicContact CD1-CD1 4.04Å; I93-L115 HydrophobicContact CD1-CD2 3.58Å; I93-L115 HydrophobicContact CD1-CG 3.85Å |
| 94 | P | 88.2 | Confident | 90.1 | Very high | 86 Ų | 86 | 109.7 Ų | 109.7 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 134.1 | 175 | -21.6 | 33.1 | 0 | 0 | 0 | 111.3 | A92 I107 | A92-P94 WeakPolarHBondContact O-CD 3.37Å; P94-I107 HydrophobicContact CB-CG2 4.26Å; P94-I107 WeakPolarHBondContact O-CG2 3.47Å |
| 95 | Q | 87 | Confident | 89.9 | Confident | 159 Ų | 159 | 103.6 Ų | 103.6 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 139.9 | 174.6 | -63.4 | -159.5 | -7.9 | 0 | 0 | 111.3 | I93 K97 | I93-Q95 PolarHBondContact O-N 3.1Å; Q95-K97 PolarHBondContact O-N 3.5Å |
| 96 | V | 90.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 105.1 Ų | 105.1 | 22% | 0.224 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 123.7 | 171.9 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | C98 R104 I107 Y108 | V96-C98 VanDerWaalsContact CG1-O 3.29Å; V96-C98 WeakPolarHBondContact CG1-O 3.46Å; V96-R104 HydrophobicContact CG1-CB 4.48Å; V96-R104 HydrophobicContact CG1-CG 3.77Å; V96-R104 HydrophobicContact CG2-CG 3.91Å; V96-I107 HydrophobicContact CG2-CB 4.3Å; V96-I107 HydrophobicContact CG2-CG2 3.93Å; V96-Y108 HydrophobicContact CG2-CE1 4.06Å; V96-Y108 HydrophobicContact CG2-CE2 4.01Å |
| 97 | K | 89.2 | Confident | 89.7 | Confident | 191 Ų | 191 | 102.1 Ų | 102.1 | 83% | 0.83 | 53% | 0.526 | S | S | * | . | trans | -86.1 | -34.1 | -175.8 | -64.9 | -176.1 | -179.6 | 179 | 0 | 113 | Q95 | Q95-K97 PolarHBondContact O-N 3.5Š| ||
| 98 | C | 90.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 98 Ų | 98 | 46% | 0.459 | 51% | 0.512 | S | S | . | . | trans | -152.7 | 162.7 | 177.2 | 70.7 | 0 | 0 | 0 | 0 | 111 | V96 E100 Q101 | V96-C98 VanDerWaalsContact CG1-O 3.29Å; V96-C98 WeakPolarHBondContact CG1-O 3.46Å; C98-E100 PolarHBondContact O-N 3.37Å; C98-Q101 WeakPolarHBondContact O-CB 3.18Å; C98-Q101 PolarHBondContact O-N 3.21Å | ||
| 99 | N | 85.2 | Confident | 90.1 | Very high | 128 Ų | 128 | 100 Ų | 100 | 68% | 0.684 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.5 | 179.4 | -74.6 | -22.3 | 0 | 0 | 0 | 112.9 | Q101 R104 | N99-Q101 VanDerWaalsContact C-N 3.26Å; N99-Q101 PolarHBondContact O-N 2.85Å; N99-R104 PolarHBondContact O-NH1 3.49Å |
| 100 | E | 90.1 | Very high | 90.4 | Very high | 180 Ų | 180 | 103.1 Ų | 103.1 | 84% | 0.841 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.3 | -177.5 | -62.2 | 179.8 | 166.4 | 0 | 0 | 113.4 | C98 P102 | C98-E100 PolarHBondContact O-N 3.37Å; E100-P102 WeakPolarHBondContact O-CD 3.48Å |
| 101 | Q | 90.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 101.2 Ų | 101.2 | 17% | 0.173 | 51% | 0.507 | C | S | . | . | trans | -61.5 | 122.5 | -179.1 | -178.5 | 170.1 | -8.4 | 0 | 0 | 111.1 | C98 N99 N103 R104 | C98-Q101 WeakPolarHBondContact O-CB 3.18Å; C98-Q101 PolarHBondContact O-N 3.21Å; N99-Q101 VanDerWaalsContact C-N 3.26Å; N99-Q101 PolarHBondContact O-N 2.85Å; Q101-N103 VanDerWaalsContact C-N 3.33Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.27Å; Q101-N103 PolarHBondContact NE2-OD1 2.99Å; Q101-N103 PolarHBondContact O-N 2.9Å; Q101-R104 HydrophobicContact CB-CB 4.43Å; Q101-R104 VanDerWaalsContact O-CB 3.25Å; Q101-R104 WeakPolarHBondContact O-CB 3.06Å; Q101-R104 PolarHBondContact O-N 3.23Å; Q101-R104 VanDerWaalsContact O-N 3.15Å | ||
| 102 | P | 91.6 | Very high | 91.1 | Very high | 135 Ų | 135 | 94.3 Ų | 94.3 | 88% | 0.877 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -38.4 | -173.3 | -26.7 | 33.8 | 0 | 0 | 0 | 114.4 | E100 | E100-P102 WeakPolarHBondContact O-CD 3.48Š|
| 103 | N | 92.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 95.6 Ų | 95.6 | 35% | 0.348 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 22.5 | -178.4 | 68.3 | -33.2 | 0 | 0 | 0 | 113.6 | Q101 V105 E106 I107 | Q101-N103 VanDerWaalsContact C-N 3.33Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.27Å; Q101-N103 PolarHBondContact NE2-OD1 2.99Å; Q101-N103 PolarHBondContact O-N 2.9Å; N103-V105 VanDerWaalsContact C-N 3.35Å; N103-V105 PolarHBondContact O-N 3.14Å; N103-E106 HydrophobicContact CB-CB 4.45Å; N103-E106 PolarHBondContact O-N 3.49Å; N103-I107 WeakPolarHBondContact O-CG1 3.49Å; N103-I107 PolarHBondContact O-N 2.82Å |
| 104 | R | 93.5 | Very high | 91.5 | Very high | 93 Ų | 93 | 97.5 Ų | 97.5 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | -178.5 | -177.6 | -174.9 | 80.4 | -139.2 | 0.3 | 113 | V96 N99 Q101 I107 Y108 | V96-R104 HydrophobicContact CG1-CB 4.48Å; V96-R104 HydrophobicContact CG1-CG 3.77Å; V96-R104 HydrophobicContact CG2-CG 3.91Å; N99-R104 PolarHBondContact O-NH1 3.49Å; Q101-R104 HydrophobicContact CB-CB 4.43Å; Q101-R104 VanDerWaalsContact O-CB 3.25Å; Q101-R104 WeakPolarHBondContact O-CB 3.06Å; Q101-R104 PolarHBondContact O-N 3.23Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; R104-I107 PolarHBondContact O-N 2.97Å; R104-Y108 HydrophobicContact CG-CD2 4.01Å; R104-Y108 HydrophobicContact CG-CE2 3.55Å; R104-Y108 WeakPolarHBondContact O-CD2 3.4Å; R104-Y108 PolarHBondContact O-N 3.06Å |
| 105 | V | 92.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -47.4 | -178.4 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | N103 I107 Y108 E109 | N103-V105 VanDerWaalsContact C-N 3.35Å; N103-V105 PolarHBondContact O-N 3.14Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.18Å; V105-Y108 PolarHBondContact O-N 3.39Å; V105-Y108 VanDerWaalsContact O-N 3.08Å; V105-E109 HydrophobicContact CG1-CG 4.32Å; V105-E109 WeakPolarHBondContact O-CG 3.49Å; V105-E109 PolarHBondContact O-N 3.37Å |
| 106 | E | 93.8 | Very high | 92.2 | Very high | 109 Ų | 109 | 94.8 Ų | 94.8 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 177 | -173.9 | -174.2 | 179.4 | 0 | 0 | 112 | N103 Y108 E109 K110 | N103-E106 HydrophobicContact CB-CB 4.45Å; N103-E106 PolarHBondContact O-N 3.49Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; E106-Y108 PolarHBondContact O-N 3.21Å; E106-E109 PolarHBondContact O-N 2.89Å; E106-K110 HydrophobicContact CG-CG 4.48Å; E106-K110 WeakPolarHBondContact O-CB 3.44Å; E106-K110 WeakPolarHBondContact O-CG 3.39Å; E106-K110 PolarHBondContact O-N 3.42Å |
| 107 | I | 92.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 95.8 Ų | 95.8 | 9% | 0.092 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.1 | -71 | 168.6 | 0 | 0 | 0 | 111.4 | P94 V96 N103 R104 V105 T111 | P94-I107 HydrophobicContact CB-CG2 4.26Å; P94-I107 WeakPolarHBondContact O-CG2 3.47Å; V96-I107 HydrophobicContact CG2-CB 4.3Å; V96-I107 HydrophobicContact CG2-CG2 3.93Å; N103-I107 WeakPolarHBondContact O-CG1 3.49Å; N103-I107 PolarHBondContact O-N 2.82Å; R104-I107 PolarHBondContact O-N 2.97Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.18Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.38Å; I107-T111 PolarHBondContact O-OG1 2.93Å |
| 108 | Y | 92.8 | Very high | 92.6 | Very high | 126 Ų | 126 | 89 Ų | 89 | 49% | 0.494 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 178.5 | -72.4 | -52.8 | 0 | 0 | 0 | 112.3 | V96 R104 V105 E106 K110 T111 V112 | V96-Y108 HydrophobicContact CG2-CE1 4.06Å; V96-Y108 HydrophobicContact CG2-CE2 4.01Å; R104-Y108 HydrophobicContact CG-CD2 4.01Å; R104-Y108 HydrophobicContact CG-CE2 3.55Å; R104-Y108 WeakPolarHBondContact O-CD2 3.4Å; R104-Y108 PolarHBondContact O-N 3.06Å; V105-Y108 PolarHBondContact O-N 3.39Å; V105-Y108 VanDerWaalsContact O-N 3.08Å; E106-Y108 VanDerWaalsContact C-N 3.34Å; E106-Y108 PolarHBondContact O-N 3.21Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.36Å; Y108-T111 WeakPolarHBondContact O-CB 3.21Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 VanDerWaalsContact O-N 3.15Å; Y108-V112 WeakPolarHBondContact O-CG2 3.43Å; Y108-V112 PolarHBondContact O-N 3.13Å |
| 109 | E | 94.1 | Very high | 92.8 | Very high | 125 Ų | 125 | 90 Ų | 90 | 58% | 0.584 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.1 | -47.7 | 176.7 | -71.7 | 175.1 | 164.5 | 0 | 0 | 110.9 | V105 E106 T111 V112 E113 | V105-E109 HydrophobicContact CG1-CG 4.32Å; V105-E109 WeakPolarHBondContact O-CG 3.49Å; V105-E109 PolarHBondContact O-N 3.37Å; E106-E109 PolarHBondContact O-N 2.89Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 3.36Å; E109-V112 PolarHBondContact O-N 2.93Å; E109-E113 PolarHBondContact O-N 3.37Å |
| 110 | K | 93.3 | Very high | 93.3 | Very high | 103 Ų | 103 | 87.1 Ų | 87.1 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.9 | -32.9 | 176 | -69 | -53.3 | -175 | -174.7 | 0 | 113.4 | E106 Y108 E113 V114 | E106-K110 HydrophobicContact CG-CG 4.48Å; E106-K110 WeakPolarHBondContact O-CB 3.44Å; E106-K110 WeakPolarHBondContact O-CG 3.39Å; E106-K110 PolarHBondContact O-N 3.42Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.36Å; K110-E113 WeakPolarHBondContact CD-OE2 3.49Å; K110-E113 WeakPolarHBondContact CE-OE2 3.35Å; K110-E113 IonicContact NZ-OE1 3.26Å; K110-E113 PolarHBondContact NZ-OE1 3.27Å; K110-E113 IonicContact NZ-OE2 2.65Å; K110-E113 PolarHBondContact NZ-OE2 3.12Å; K110-V114 WeakPolarHBondContact O-CB 3.3Å; K110-V114 VanDerWaalsContact O-CG2 3.26Å; K110-V114 WeakPolarHBondContact O-CG2 3.38Å; K110-V114 PolarHBondContact O-N 2.78Å |
| 111 | T | 93.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 82.6 Ų | 82.6 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 111 | I93 I107 Y108 E109 L115 | I93-T111 HydrophobicContact CG2-CG2 3.77Å; I107-T111 WeakPolarHBondContact O-CB 3.46Å; I107-T111 PolarHBondContact O-N 3.38Å; I107-T111 PolarHBondContact O-OG1 2.93Å; Y108-T111 WeakPolarHBondContact O-CB 3.21Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 VanDerWaalsContact O-N 3.15Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 3.36Å; T111-L115 HydrophobicContact CG2-CD1 3.72Å; T111-L115 HydrophobicContact CG2-CG 4.35Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.42Å; T111-L115 VanDerWaalsContact O-CG 3.26Å; T111-L115 WeakPolarHBondContact O-CG 3.5Å; T111-L115 PolarHBondContact O-N 2.77Å |
| 112 | V | 93.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 84.5 Ų | 84.5 | 58% | 0.576 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | Y108 E109 V114 L115 E116 | Y108-V112 WeakPolarHBondContact O-CG2 3.43Å; Y108-V112 PolarHBondContact O-N 3.13Å; E109-V112 PolarHBondContact O-N 2.93Å; V112-V114 VanDerWaalsContact C-N 3.28Å; V112-V114 PolarHBondContact O-N 3.2Å; V112-L115 PolarHBondContact O-N 3.02Å; V112-L115 VanDerWaalsContact O-N 3.15Å; V112-E116 WeakPolarHBondContact O-CB 3.27Å; V112-E116 PolarHBondContact O-N 3.32Å |
| 113 | E | 93.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 81.6 Ų | 81.6 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55 | -41.5 | 179.5 | -175.8 | -175.9 | 149.6 | 0 | 0 | 112.4 | E109 K110 P117 | E109-E113 PolarHBondContact O-N 3.37Å; K110-E113 WeakPolarHBondContact CD-OE2 3.49Å; K110-E113 WeakPolarHBondContact CE-OE2 3.35Å; K110-E113 IonicContact NZ-OE1 3.26Å; K110-E113 PolarHBondContact NZ-OE1 3.27Å; K110-E113 IonicContact NZ-OE2 2.65Å; K110-E113 PolarHBondContact NZ-OE2 3.12Å; E113-P117 VanDerWaalsContact O-CD 3.3Å; E113-P117 WeakPolarHBondContact O-CD 3.42Å |
| 114 | V | 92.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 82.1 Ų | 82.1 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -76.5 | -35.7 | 179.7 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | K110 V112 | K110-V114 WeakPolarHBondContact O-CB 3.3Å; K110-V114 VanDerWaalsContact O-CG2 3.26Å; K110-V114 WeakPolarHBondContact O-CG2 3.38Å; K110-V114 PolarHBondContact O-N 2.78Å; V112-V114 VanDerWaalsContact C-N 3.28Å; V112-V114 PolarHBondContact O-N 3.2Å |
| 115 | L | 93.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 80.1 Ų | 80.1 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.1 | -30.1 | -177 | -75 | 179.7 | 0 | 0 | 0 | 113.4 | C89 I93 T111 V112 E118 V119 | C89-L115 VanDerWaalsContact SG-CD2 3.6Å; I93-L115 HydrophobicContact CD1-CD1 4.04Å; I93-L115 HydrophobicContact CD1-CD2 3.58Å; I93-L115 HydrophobicContact CD1-CG 3.85Å; T111-L115 HydrophobicContact CG2-CD1 3.72Å; T111-L115 HydrophobicContact CG2-CG 4.35Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.42Å; T111-L115 VanDerWaalsContact O-CG 3.26Å; T111-L115 WeakPolarHBondContact O-CG 3.5Å; T111-L115 PolarHBondContact O-N 2.77Å; V112-L115 PolarHBondContact O-N 3.02Å; V112-L115 VanDerWaalsContact O-N 3.15Å; L115-E118 PolarHBondContact O-N 3.2Å; L115-E118 VanDerWaalsContact O-N 3.11Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.34Å |
| 116 | E | 94.8 | Very high | 94.8 | Very high | 127 Ų | 127 | 80.3 Ų | 80.3 | 59% | 0.593 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -50 | -51.5 | -178.4 | -177.6 | 171.8 | -172.9 | 0 | 0 | 114.3 | V112 E118 V119 T120 | V112-E116 WeakPolarHBondContact O-CB 3.27Å; V112-E116 PolarHBondContact O-N 3.32Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.42Å; E116-V119 PolarHBondContact O-N 2.87Å; E116-T120 WeakPolarHBondContact O-CB 3.33Å; E116-T120 PolarHBondContact O-N 3.21Å; E116-T120 PolarHBondContact O-OG1 2.86Å |
| 117 | P | 95 | Very high | 95 | Very high | 59 Ų | 59 | 80 Ų | 80 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 178.9 | 25.2 | -35 | 0 | 0 | 0 | 112.8 | E113 T120 K121 | E113-P117 VanDerWaalsContact O-CD 3.3Å; E113-P117 WeakPolarHBondContact O-CD 3.42Å; P117-T120 PolarHBondContact O-N 3.34Å; P117-K121 WeakPolarHBondContact O-CG 3.47Å; P117-K121 PolarHBondContact O-N 2.9Å |
| 118 | E | 94 | Very high | 95.3 | Very high | 49 Ų | 49 | 80.2 Ų | 80.2 | 23% | 0.229 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 178.6 | -58.9 | -50.9 | 134 | 0 | 0 | 111.3 | W86 L115 E116 T120 K121 L122 | W86-E118 HydrophobicContact CH2-CB 3.91Å; W86-E118 WeakPolarHBondContact CH2-O 3.31Å; W86-E118 WeakPolarHBondContact CH2-OE2 3.45Å; W86-E118 HydrophobicContact CZ2-CB 4.24Å; W86-E118 WeakPolarHBondContact CZ3-OE2 3.5Å; L115-E118 PolarHBondContact O-N 3.2Å; L115-E118 VanDerWaalsContact O-N 3.11Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.42Å; E118-T120 VanDerWaalsContact C-N 3.3Å; E118-T120 PolarHBondContact O-N 2.89Å; E118-K121 PolarHBondContact O-N 2.88Å; E118-K121 IonicContact OE1-NZ 2.76Å; E118-K121 PolarHBondContact OE1-NZ 3.33Å; E118-K121 IonicContact OE2-NZ 3.22Å; E118-K121 PolarHBondContact OE2-NZ 3.44Å; E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 3.37Å |
| 119 | V | 94.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 78.8 Ų | 78.8 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 173.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L115 E116 K121 L122 M123 | L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.34Å; E116-V119 PolarHBondContact O-N 2.87Å; V119-K121 PolarHBondContact O-N 3.27Å; V119-L122 PolarHBondContact O-N 3.01Å; V119-M123 WeakPolarHBondContact O-CB 3.31Å; V119-M123 PolarHBondContact O-N 3.26Å |
| 120 | T | 96.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | E116 P117 E118 L122 M123 N124 | E116-T120 WeakPolarHBondContact O-CB 3.33Å; E116-T120 PolarHBondContact O-N 3.21Å; E116-T120 PolarHBondContact O-OG1 2.86Å; P117-T120 PolarHBondContact O-N 3.34Å; E118-T120 VanDerWaalsContact C-N 3.3Å; E118-T120 PolarHBondContact O-N 2.89Å; T120-L122 PolarHBondContact O-N 2.99Å; T120-M123 WeakPolarHBondContact O-CB 3.07Å; T120-M123 PolarHBondContact O-N 2.96Å; T120-N124 VanDerWaalsContact O-CG 3.25Å; T120-N124 PolarHBondContact O-N 2.79Å |
| 121 | K | 96 | Very high | 95.9 | Very high | 85 Ų | 85 | 78.4 Ų | 78.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.5 | -73.9 | 171.2 | -167.8 | 164.6 | 0 | 112.2 | M82 W86 P117 E118 V119 M123 N124 F125 | M82-K121 HydrophobicContact SD-CB 3.78Å; M82-K121 HydrophobicContact SD-CD 4.34Å; M82-K121 HydrophobicContact SD-CG 4.22Å; W86-K121 HydrophobicContact CH2-CB 4.35Å; W86-K121 HydrophobicContact CZ3-CB 4Å; W86-K121 HydrophobicContact CZ3-CD 3.95Å; P117-K121 WeakPolarHBondContact O-CG 3.47Å; P117-K121 PolarHBondContact O-N 2.9Å; E118-K121 PolarHBondContact O-N 2.88Å; E118-K121 IonicContact OE1-NZ 2.76Å; E118-K121 PolarHBondContact OE1-NZ 3.33Å; E118-K121 IonicContact OE2-NZ 3.22Å; E118-K121 PolarHBondContact OE2-NZ 3.44Å; V119-K121 PolarHBondContact O-N 3.27Å; K121-M123 VanDerWaalsContact C-N 3.33Å; K121-N124 PolarHBondContact O-N 3.49Å; K121-F125 PolarHBondContact O-N 2.84Å |
| 122 | L | 95.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 178.3 | -66.5 | 177.2 | 0 | 0 | 0 | 112.2 | W86 E118 V119 T120 F125 M126 | W86-L122 HydrophobicContact CH2-CD1 4.09Å; W86-L122 HydrophobicContact CH2-CD2 3.84Å; W86-L122 HydrophobicContact CH2-CG 3.64Å; W86-L122 HydrophobicContact CZ2-CD1 3.85Å; W86-L122 HydrophobicContact CZ2-CD2 3.97Å; W86-L122 HydrophobicContact CZ2-CG 3.88Å; W86-L122 HydrophobicContact CZ3-CD2 4.15Å; W86-L122 HydrophobicContact CZ3-CG 4.33Å; E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 3.37Å; V119-L122 PolarHBondContact O-N 3.01Å; T120-L122 PolarHBondContact O-N 2.99Å; L122-F125 PolarHBondContact O-N 3.3Å; L122-M126 WeakPolarHBondContact O-CB 3.47Å; L122-M126 PolarHBondContact O-N 2.95Å |
| 123 | M | 97.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 77.9 Ų | 77.9 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.3 | -163.8 | 70.5 | 179.5 | 0 | 0 | 111.2 | V119 T120 K121 M126 Y127 | V119-M123 WeakPolarHBondContact O-CB 3.31Å; V119-M123 PolarHBondContact O-N 3.26Å; T120-M123 WeakPolarHBondContact O-CB 3.07Å; T120-M123 PolarHBondContact O-N 2.96Å; K121-M123 VanDerWaalsContact C-N 3.33Å; M123-M126 HydrophobicContact CE-CE 3.54Å; M123-M126 WeakPolarHBondContact O-CB 3.2Å; M123-M126 PolarHBondContact O-N 2.82Å; M123-M126 HydrophobicContact SD-CE 3.69Å; M123-Y127 HydrophobicContact CE-CE1 4.16Å; M123-Y127 HydrophobicContact CE-CE2 3.71Å; M123-Y127 WeakPolarHBondContact CE-OH 3.01Å; M123-Y127 HydrophobicContact CG-CD2 4.05Å; M123-Y127 HydrophobicContact CG-CE2 3.55Å; M123-Y127 WeakPolarHBondContact O-CD2 3.42Å; M123-Y127 PolarHBondContact O-N 3.37Å; M123-Y127 HydrophobicContact SD-CE2 4.37Å |
| 124 | N | 98.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 78.3 Ų | 78.3 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.9 | -68.4 | -13.5 | 0 | 0 | 0 | 111.1 | Y79 T120 K121 M126 Y127 F128 | Y79-N124 HydrophobicContact CE1-CB 4.3Å; Y79-N124 PolarHBondContact OH-O 3.36Å; T120-N124 VanDerWaalsContact O-CG 3.25Å; T120-N124 PolarHBondContact O-N 2.79Å; K121-N124 PolarHBondContact O-N 3.49Å; N124-M126 VanDerWaalsContact C-N 3.34Å; N124-M126 PolarHBondContact O-N 2.83Å; N124-Y127 PolarHBondContact O-N 2.72Å; N124-F128 WeakPolarHBondContact O-CB 3.08Å; N124-F128 PolarHBondContact O-N 3.31Å |
| 125 | F | 98.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.5 | 175.8 | -117.5 | 0 | 0 | 0 | 112.7 | Y79 M82 L83 K121 L122 Y127 F128 Q129 | Y79-F125 HydrophobicContact CD1-CB 3.77Å; Y79-F125 AromaticContact CD1-CD2 3.8Å; Y79-F125 HydrophobicContact CD1-CD2 3.8Å; Y79-F125 HydrophobicContact CD1-CG 4.23Å; Y79-F125 HydrophobicContact CD2-CD2 4.28Å; Y79-F125 HydrophobicContact CE1-CB 3.9Å; Y79-F125 HydrophobicContact CG-CB 4.48Å; Y79-F125 AromaticContact CG-CD2 3.66Å; Y79-F125 HydrophobicContact CG-CD2 3.66Å; Y79-F125 HydrophobicContact CG-CE2 4.45Å; M82-F125 HydrophobicContact CE-CB 4.11Å; M82-F125 HydrophobicContact CE-CG 4.44Å; L83-F125 HydrophobicContact CD1-CE1 3.99Å; L83-F125 HydrophobicContact CD1-CE2 3.98Å; L83-F125 HydrophobicContact CD1-CZ 3.66Å; K121-F125 PolarHBondContact O-N 2.84Å; L122-F125 PolarHBondContact O-N 3.3Å; F125-Y127 PolarHBondContact O-N 3.29Å; F125-F128 HydrophobicContact CD2-CD1 4.4Å; F125-F128 PolarHBondContact O-N 3.5Å; F125-Q129 WeakPolarHBondContact O-CB 3.2Å; F125-Q129 PolarHBondContact O-N 2.86Å |
| 126 | M | 97.9 | Very high | 96.6 | Very high | 86 Ų | 86 | 82 Ų | 82 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176 | -176.8 | -162 | 69.8 | 0 | 0 | 111.6 | L122 M123 N124 Q129 R130 | L122-M126 WeakPolarHBondContact O-CB 3.47Å; L122-M126 PolarHBondContact O-N 2.95Å; M123-M126 HydrophobicContact CE-CE 3.54Å; M123-M126 WeakPolarHBondContact O-CB 3.2Å; M123-M126 PolarHBondContact O-N 2.82Å; M123-M126 HydrophobicContact SD-CE 3.69Å; N124-M126 VanDerWaalsContact C-N 3.34Å; N124-M126 PolarHBondContact O-N 2.83Å; M126-Q129 PolarHBondContact O-N 3.42Å; M126-R130 PolarHBondContact O-N 2.85Å; M126-R130 VanDerWaalsContact O-N 3.09Å |
| 127 | Y | 98.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 78.2 Ų | 78.2 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.1 | -71.9 | -49.4 | 0 | 0 | 0 | 112.4 | M123 N124 F125 R130 N131 | M123-Y127 HydrophobicContact CE-CE1 4.16Å; M123-Y127 HydrophobicContact CE-CE2 3.71Å; M123-Y127 WeakPolarHBondContact CE-OH 3.01Å; M123-Y127 HydrophobicContact CG-CD2 4.05Å; M123-Y127 HydrophobicContact CG-CE2 3.55Å; M123-Y127 WeakPolarHBondContact O-CD2 3.42Å; M123-Y127 PolarHBondContact O-N 3.37Å; M123-Y127 HydrophobicContact SD-CE2 4.37Å; N124-Y127 PolarHBondContact O-N 2.72Å; F125-Y127 PolarHBondContact O-N 3.29Å; Y127-R130 PolarHBondContact O-N 3.23Å; Y127-N131 WeakPolarHBondContact O-CB 3.4Å; Y127-N131 PolarHBondContact O-N 3.24Å |
| 128 | F | 98.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 76.8 Ų | 76.8 | 10% | 0.101 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 173.4 | 168.8 | -99.9 | 0 | 0 | 0 | 111.2 | M72 E75 Y79 N124 F125 R130 N131 A132 | M72-F128 HydrophobicContact CG-CE2 3.89Å; M72-F128 HydrophobicContact CG-CZ 4.23Å; M72-F128 WeakPolarHBondContact O-CE2 3.41Å; M72-F128 WeakPolarHBondContact O-CZ 3.47Å; E75-F128 HydrophobicContact CB-CD2 4.35Å; E75-F128 HydrophobicContact CB-CE2 3.91Å; E75-F128 HydrophobicContact CG-CD2 3.89Å; E75-F128 HydrophobicContact CG-CE2 3.96Å; E75-F128 WeakPolarHBondContact OE1-CD2 2.99Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.47Å; Y79-F128 HydrophobicContact CD2-CB 3.97Å; Y79-F128 AromaticContact CD2-CD1 3.45Å; Y79-F128 HydrophobicContact CD2-CD1 3.45Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.45Å; Y79-F128 HydrophobicContact CD2-CD2 4.09Å; Y79-F128 AromaticContact CD2-CE1 3.95Å; Y79-F128 HydrophobicContact CD2-CE1 3.95Å; Y79-F128 AromaticContact CD2-CG 3.54Å; Y79-F128 HydrophobicContact CD2-CG 3.54Å; Y79-F128 HydrophobicContact CD2-CZ 4.45Å; Y79-F128 HydrophobicContact CE2-CB 3.32Å; Y79-F128 AromaticContact CE2-CD1 3.74Å; Y79-F128 HydrophobicContact CE2-CD1 3.74Å; Y79-F128 AromaticContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CD2 3.74Å; Y79-F128 HydrophobicContact CE2-CE2 4.5Å; Y79-F128 AromaticContact CE2-CG 3.29Å; Y79-F128 HydrophobicContact CE2-CG 3.29Å; Y79-F128 HydrophobicContact CG-CD1 4.35Å; N124-F128 WeakPolarHBondContact O-CB 3.08Å; N124-F128 PolarHBondContact O-N 3.31Å; F125-F128 HydrophobicContact CD2-CD1 4.4Å; F125-F128 PolarHBondContact O-N 3.5Å; F128-R130 VanDerWaalsContact C-N 3.29Å; F128-R130 PolarHBondContact O-N 2.76Å; F128-N131 PolarHBondContact O-N 3.06Å; F128-N131 VanDerWaalsContact O-N 3.14Å; F128-A132 HydrophobicContact CE1-CB 4.38Å; F128-A132 HydrophobicContact CZ-CB 4.23Å; F128-A132 WeakPolarHBondContact O-CB 3.22Å; F128-A132 PolarHBondContact O-N 3.46Å |
| 129 | Q | 97.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 75.3 Ų | 75.3 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 179.8 | -178.7 | -173.2 | -3.6 | 0 | 0 | 111.5 | F125 M126 A132 I133 | F125-Q129 WeakPolarHBondContact O-CB 3.2Å; F125-Q129 PolarHBondContact O-N 2.86Å; M126-Q129 PolarHBondContact O-N 3.42Å; Q129-A132 PolarHBondContact O-N 3.38Å; Q129-I133 HydrophobicContact CG-CD1 3.94Å; Q129-I133 WeakPolarHBondContact O-CD1 3.4Å; Q129-I133 VanDerWaalsContact O-CG1 3.25Å; Q129-I133 WeakPolarHBondContact O-CG1 3.43Å; Q129-I133 PolarHBondContact O-N 3.32Å |
| 130 | R | 98 | Very high | 96.2 | Very high | 137 Ų | 137 | 74 Ų | 74 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 177.8 | -177.4 | 179.2 | 64.3 | -168.8 | 1.6 | 111.5 | M126 Y127 F128 A132 I133 E134 | M126-R130 PolarHBondContact O-N 2.85Å; M126-R130 VanDerWaalsContact O-N 3.09Å; Y127-R130 PolarHBondContact O-N 3.23Å; F128-R130 VanDerWaalsContact C-N 3.29Å; F128-R130 PolarHBondContact O-N 2.76Å; R130-A132 VanDerWaalsContact C-N 3.32Å; R130-A132 PolarHBondContact O-N 3.41Å; R130-I133 PolarHBondContact O-N 3.44Å; R130-E134 WeakPolarHBondContact O-CG 3.21Å; R130-E134 PolarHBondContact O-N 2.96Å |
| 131 | N | 97.4 | Very high | 95.9 | Very high | 83 Ų | 83 | 79 Ų | 79 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 178.7 | -175.3 | 20.7 | 0 | 0 | 0 | 111.5 | Y127 F128 I133 E134 R135 | Y127-N131 WeakPolarHBondContact O-CB 3.4Å; Y127-N131 PolarHBondContact O-N 3.24Å; F128-N131 PolarHBondContact O-N 3.06Å; F128-N131 VanDerWaalsContact O-N 3.14Å; N131-I133 PolarHBondContact O-N 2.81Å; N131-E134 PolarHBondContact O-N 3.3Å; N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 3.43Å |
| 132 | A | 97.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 77.7 Ų | 77.7 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M72 F128 Q129 R130 F136 | M72-A132 HydrophobicContact CG-CB 4.29Å; M72-A132 VanDerWaalsContact SD-CA 3.52Å; M72-A132 HydrophobicContact SD-CB 3.78Å; F128-A132 HydrophobicContact CE1-CB 4.38Å; F128-A132 HydrophobicContact CZ-CB 4.23Å; F128-A132 WeakPolarHBondContact O-CB 3.22Å; F128-A132 PolarHBondContact O-N 3.46Å; Q129-A132 PolarHBondContact O-N 3.38Å; R130-A132 VanDerWaalsContact C-N 3.32Å; R130-A132 PolarHBondContact O-N 3.41Å; A132-F136 WeakPolarHBondContact O-CB 3.28Å; A132-F136 PolarHBondContact O-N 3.43Å |
| 133 | I | 97.3 | Very high | 95 | Very high | 91 Ų | 91 | 78.5 Ų | 78.5 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175.4 | -69.2 | 166.3 | 0 | 0 | 0 | 110.8 | Q129 R130 N131 R135 F136 C137 | Q129-I133 HydrophobicContact CG-CD1 3.94Å; Q129-I133 WeakPolarHBondContact O-CD1 3.4Å; Q129-I133 VanDerWaalsContact O-CG1 3.25Å; Q129-I133 WeakPolarHBondContact O-CG1 3.43Å; Q129-I133 PolarHBondContact O-N 3.32Å; R130-I133 PolarHBondContact O-N 3.44Å; N131-I133 PolarHBondContact O-N 2.81Å; I133-R135 PolarHBondContact O-N 2.96Å; I133-F136 PolarHBondContact O-N 3.16Å; I133-C137 VanDerWaalsContact O-CB 3.27Å; I133-C137 WeakPolarHBondContact O-CB 3.09Å; I133-C137 PolarHBondContact O-N 2.97Å; I133-C137 PolarHBondContact O-SG 3.41Å |
| 134 | E | 97 | Very high | 94.4 | Very high | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.9 | -47.8 | -179.4 | -77.2 | 176.5 | -171 | 0 | 0 | 111.2 | R130 N131 C137 G138 | R130-E134 WeakPolarHBondContact O-CG 3.21Å; R130-E134 PolarHBondContact O-N 2.96Å; N131-E134 PolarHBondContact O-N 3.3Å; E134-C137 PolarHBondContact O-N 3Å; E134-G138 PolarHBondContact O-N 3.18Å |
| 135 | R | 94.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 80.3 Ų | 80.3 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 179.5 | -174.2 | 56.6 | 176.8 | -83.3 | -2.8 | 111.6 | S68 M72 N131 I133 C137 G138 E139 | S68-R135 PolarHBondContact OG-NH1 3.48Å; S68-R135 PolarHBondContact OG-NH2 3.35Å; M72-R135 HydrophobicContact CE-CB 3.68Å; M72-R135 HydrophobicContact CE-CG 3.95Å; M72-R135 HydrophobicContact SD-CB 4.21Å; M72-R135 HydrophobicContact SD-CG 4.44Å; N131-R135 WeakPolarHBondContact O-CB 3.48Å; N131-R135 PolarHBondContact O-N 3.43Å; I133-R135 PolarHBondContact O-N 2.96Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-C137 PolarHBondContact O-N 3.19Å; R135-G138 PolarHBondContact O-N 3.36Å; R135-G138 VanDerWaalsContact O-N 3.15Å; R135-E139 HydrophobicContact CG-CG 4.43Å; R135-E139 IonicContact CZ-OE1 2.79Å; R135-E139 IonicContact NE-OE1 3.27Å; R135-E139 PolarHBondContact NE-OE1 3.34Å; R135-E139 IonicContact NH2-OE1 2.82Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.08Å |
| 136 | F | 94 | Very high | 92.2 | Very high | 136 Ų | 136 | 81.2 Ų | 81.2 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.8 | -48.5 | 178 | 178.6 | -102.1 | 0 | 0 | 0 | 111.5 | A132 I133 G138 E139 V140 | A132-F136 WeakPolarHBondContact O-CB 3.28Å; A132-F136 PolarHBondContact O-N 3.43Å; I133-F136 PolarHBondContact O-N 3.16Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 2.92Å; F136-E139 PolarHBondContact O-N 2.84Å; F136-V140 HydrophobicContact CD1-CG2 4.19Å; F136-V140 HydrophobicContact CD2-CG2 4.46Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.07Å; F136-V140 HydrophobicContact CZ-CG2 3.71Å; F136-V140 WeakPolarHBondContact O-CG2 3.25Å; F136-V140 PolarHBondContact O-N 2.78Å |
| 137 | C | 94.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 84.7 Ų | 84.7 | 32% | 0.324 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 178.9 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | I133 E134 R135 R141 | I133-C137 VanDerWaalsContact O-CB 3.27Å; I133-C137 WeakPolarHBondContact O-CB 3.09Å; I133-C137 PolarHBondContact O-N 2.97Å; I133-C137 PolarHBondContact O-SG 3.41Å; E134-C137 PolarHBondContact O-N 3Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-C137 PolarHBondContact O-N 3.19Å; C137-R141 WeakPolarHBondContact O-CB 3.31Å; C137-R141 WeakPolarHBondContact O-CG 3.33Å; C137-R141 PolarHBondContact O-N 3.11Å; C137-R141 VanDerWaalsContact O-N 3.1Å; C137-R141 PolarHBondContact O-NE 2.97Å; C137-R141 VanDerWaalsContact O-NE 3.14Å |
| 138 | G | 93.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E134 R135 F136 R141 R142 | E134-G138 PolarHBondContact O-N 3.18Å; R135-G138 PolarHBondContact O-N 3.36Å; R135-G138 VanDerWaalsContact O-N 3.15Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 2.92Å; G138-R141 PolarHBondContact O-N 2.97Å; G138-R142 WeakPolarHBondContact O-CB 3.29Å; G138-R142 PolarHBondContact O-N 3.12Å |
| 139 | E | 91 | Very high | 87.3 | Confident | 18 Ų | 18 | 90.2 Ų | 90.2 | 8% | 0.084 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.9 | -40.5 | -178.7 | -65.4 | -68.1 | 167.4 | 0 | 0 | 112.3 | V65 M69 R135 F136 R141 R142 L143 | V65-E139 VanDerWaalsContact CG1-CD 3.41Å; V65-E139 HydrophobicContact CG1-CG 4.29Å; V65-E139 WeakPolarHBondContact CG1-OE1 3.2Å; V65-E139 WeakPolarHBondContact CG1-OE2 3.48Å; M69-E139 HydrophobicContact CE-CB 3.32Å; M69-E139 HydrophobicContact CE-CG 3.31Å; R135-E139 HydrophobicContact CG-CG 4.43Å; R135-E139 IonicContact CZ-OE1 2.79Å; R135-E139 IonicContact NE-OE1 3.27Å; R135-E139 PolarHBondContact NE-OE1 3.34Å; R135-E139 IonicContact NH2-OE1 2.82Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.08Å; F136-E139 PolarHBondContact O-N 2.84Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.34Å; E139-R142 PolarHBondContact O-N 3.11Å; E139-R142 IonicContact OE2-CZ 3.18Å; E139-R142 IonicContact OE2-NE 2.77Å; E139-R142 PolarHBondContact OE2-NE 2.98Å; E139-R142 IonicContact OE2-NH2 2.78Å; E139-R142 PolarHBondContact OE2-NH2 2.89Å; E139-L143 WeakPolarHBondContact O-CB 3.44Å; E139-L143 VanDerWaalsContact O-CG 3.31Å; E139-L143 WeakPolarHBondContact O-CG 3.5Å; E139-L143 PolarHBondContact O-N 3.01Å |
| 140 | V | 91.2 | Very high | 85.3 | Confident | 61 Ų | 61 | 95 Ų | 95 | 37% | 0.37 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 171.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | F136 R142 L143 C144 | F136-V140 HydrophobicContact CD1-CG2 4.19Å; F136-V140 HydrophobicContact CD2-CG2 4.46Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.07Å; F136-V140 HydrophobicContact CZ-CG2 3.71Å; F136-V140 WeakPolarHBondContact O-CG2 3.25Å; F136-V140 PolarHBondContact O-N 2.78Å; V140-R142 PolarHBondContact O-N 2.94Å; V140-L143 PolarHBondContact O-N 3.32Å; V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.35Å; V140-C144 PolarHBondContact O-N 3.32Å; V140-C144 PolarHBondContact O-SG 3.48Å |
| 141 | R | 90.9 | Very high | 83.3 | Confident | 172 Ų | 172 | 94.9 Ų | 94.9 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 175.3 | -81.9 | -179.7 | -91.3 | 160.8 | -11.8 | 111.9 | C137 G138 E139 L143 C144 H145 | C137-R141 WeakPolarHBondContact O-CB 3.31Å; C137-R141 WeakPolarHBondContact O-CG 3.33Å; C137-R141 PolarHBondContact O-N 3.11Å; C137-R141 VanDerWaalsContact O-N 3.1Å; C137-R141 PolarHBondContact O-NE 2.97Å; C137-R141 VanDerWaalsContact O-NE 3.14Å; G138-R141 PolarHBondContact O-N 2.97Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.34Å; R141-L143 PolarHBondContact O-N 3.4Å; R141-C144 PolarHBondContact O-N 3.41Å; R141-H145 PolarHBondContact O-N 3.3Å |
| 142 | R | 86.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 95.5 Ų | 95.5 | 22% | 0.219 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.4 | -167.4 | -169.7 | 56.1 | 107.3 | 1.1 | 111.7 | E61 G138 E139 V140 R148 | E61-R142 IonicContact OE1-CZ 3.7Å; E61-R142 IonicContact OE1-NH1 3.24Å; E61-R142 PolarHBondContact OE1-NH1 3.41Å; G138-R142 WeakPolarHBondContact O-CB 3.29Å; G138-R142 PolarHBondContact O-N 3.12Å; E139-R142 PolarHBondContact O-N 3.11Å; E139-R142 IonicContact OE2-CZ 3.18Å; E139-R142 IonicContact OE2-NE 2.77Å; E139-R142 PolarHBondContact OE2-NE 2.98Å; E139-R142 IonicContact OE2-NH2 2.78Å; E139-R142 PolarHBondContact OE2-NH2 2.89Å; V140-R142 PolarHBondContact O-N 2.94Å; R142-R148 VanDerWaalsContact NH1-NH2 3.19Å; R142-R148 WeakPolarHBondContact O-CD 3.31Å; R142-R148 PolarHBondContact O-NH1 2.67Å |
| 143 | L | 85.3 | Confident | 81.8 | Confident | 93 Ų | 93 | 99.4 Ų | 99.4 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.8 | -31.3 | 179.5 | -69.1 | 170.8 | 0 | 0 | 0 | 112.8 | E139 V140 R141 H145 | E139-L143 WeakPolarHBondContact O-CB 3.44Å; E139-L143 VanDerWaalsContact O-CG 3.31Å; E139-L143 WeakPolarHBondContact O-CG 3.5Å; E139-L143 PolarHBondContact O-N 3.01Å; V140-L143 PolarHBondContact O-N 3.32Å; R141-L143 PolarHBondContact O-N 3.4Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.08Å |
| 144 | C | 85.5 | Confident | 81 | Confident | 64 Ų | 64 | 99.8 Ų | 99.8 | 43% | 0.432 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -79.8 | -5.9 | -179.1 | -68.5 | 0 | 0 | 0 | 0 | 114.6 | V140 R141 A146 R149 | V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.35Å; V140-C144 PolarHBondContact O-N 3.32Å; V140-C144 PolarHBondContact O-SG 3.48Å; R141-C144 PolarHBondContact O-N 3.41Å; C144-A146 PolarHBondContact O-N 3.25Å; C144-R149 PolarHBondContact O-NE 3.08Å |
| 145 | H | 82.8 | Confident | 80 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | trans | -59.2 | 133.9 | -177.4 | -130.2 | -77.9 | 0 | 0 | 0 | 111.4 | R141 L143 E147 R148 R149 | R141-H145 PolarHBondContact O-N 3.3Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.08Å; H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 PolarHBondContact O-N 2.89Å; H145-R148 HydrophobicContact CB-CG 4.36Å; H145-R148 WeakPolarHBondContact O-CA 3.47Å; H145-R148 WeakPolarHBondContact O-CB 3.39Å; H145-R148 PolarHBondContact O-N 3.2Å; H145-R149 PolarHBondContact O-N 3.37Å | ||
| 146 | A | 68.3 | Low | 79.1 | Confident | 70 Ų | 70 | 100.3 Ų | 100.3 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -60 | -33.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C144 R148 R149 | C144-A146 PolarHBondContact O-N 3.25Å; A146-R148 PolarHBondContact O-N 3.28Å; A146-R149 PolarHBondContact O-N 3.38Å |
| 147 | E | 68.1 | Low | 78.1 | Confident | 159 Ų | 159 | 97.9 Ų | 97.9 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -60.2 | -30.6 | 172.9 | -69.9 | -74.3 | 129.9 | 0 | 0 | 112.3 | H145 | H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 PolarHBondContact O-N 2.89Å |
| 148 | R | 63.3 | Low | 76.9 | Confident | 54 Ų | 54 | 101.4 Ų | 101.4 | 20% | 0.204 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -91.1 | -7.1 | 178.6 | -56.4 | -169.3 | 81.3 | 176.8 | 11.8 | 114.4 | R142 H145 A146 | R142-R148 VanDerWaalsContact NH1-NH2 3.19Å; R142-R148 WeakPolarHBondContact O-CD 3.31Å; R142-R148 PolarHBondContact O-NH1 2.67Å; H145-R148 HydrophobicContact CB-CG 4.36Å; H145-R148 WeakPolarHBondContact O-CA 3.47Å; H145-R148 WeakPolarHBondContact O-CB 3.39Å; H145-R148 PolarHBondContact O-N 3.2Å; A146-R148 PolarHBondContact O-N 3.28Å |
| 149 | R | 58.3 | Low | 75.7 | Confident | 187 Ų | 187 | 107 Ų | 107 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -82.7 | -16.3 | 176.2 | -73.4 | -173.8 | 176.8 | -170.7 | -3.8 | 113.2 | C144 H145 A146 | C144-R149 PolarHBondContact O-NE 3.08Å; H145-R149 PolarHBondContact O-N 3.37Å; A146-R149 PolarHBondContact O-N 3.38Å |
| 150 | K | 57.3 | Low | 74.4 | Confident | 195 Ų | 195 | 114.4 Ų | 114.4 | 85% | 0.848 | 55% | 0.545 | S | S | * | . | trans | -97 | 1 | 177.9 | -66 | -176.9 | 179.3 | 177.1 | 0 | 112.7 | ||||
| 151 | D | 55.4 | Low | 72.8 | Confident | 136 Ų | 136 | 119.3 Ų | 119.3 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -84.2 | 0 | 173.4 | -76.7 | -49.4 | 0 | 0 | 0 | 111.4 | R58 | R58-D151 VanDerWaalsContact CZ-CG 3.44Å; R58-D151 IonicContact CZ-OD1 2.83Å; R58-D151 VanDerWaalsContact CZ-OD1 3.24Å; R58-D151 IonicContact CZ-OD2 3.74Å; R58-D151 VanDerWaalsContact CZ-OD2 3.27Å; R58-D151 IonicContact NH1-OD1 2.72Å; R58-D151 PolarHBondContact NH1-OD1 3.24Å; R58-D151 IonicContact NH1-OD2 3.02Å; R58-D151 PolarHBondContact NH1-OD2 3.11Å; R58-D151 IonicContact NH2-OD1 3.37Å; R58-D151 PolarHBondContact NH2-OD1 3.39Å; R58-D151 IonicContact NH2-OD2 3.59Å; R58-D151 PolarHBondContact NH2-OD2 3.39Å |
Retrieved 151 of 151 residues in 112.2 ms
(Link to these results)