| 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 | 38.4 | Very low | 47.2 | Very low | 240 Ų | 240 | 160 Ų | 160 | 100% | 1.182 | 82% | 0.824 | S | S | * | * | 0 | 130.4 | 0 | -70.7 | 166.4 | 156 | 0 | 0 | 107.1 | |||||
| 2 | M | 43.5 | Very low | 48.4 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | cis | -102.1 | 157.3 | -1.4 | -62.8 | 123.5 | 67.8 | 0 | 0 | 112.2 | I4 | M2-I4 PolarHBondContact O-N 3.36Š| ||
| 3 | N | 40.4 | Very low | 49.8 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -86.1 | 97.7 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 110.1 | H5 | N3-H5 PolarHBondContact O-N 3.41Š| ||
| 4 | I | 54.1 | Low | 51.4 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -85.6 | 72.6 | 172.4 | -59 | 172.5 | 0 | 0 | 0 | 108.9 | M2 C6 | M2-I4 PolarHBondContact O-N 3.36Å; I4-C6 PolarHBondContact O-N 3.39Å | ||
| 5 | H | 44.4 | Very low | 53 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -94.9 | 56.6 | -179.1 | -120.3 | -69 | 0 | 0 | 0 | 111.7 | N3 | N3-H5 PolarHBondContact O-N 3.41Š| ||
| 6 | C | 48.7 | Very low | 54 | Low | 122 Ų | 122 | 134.1 Ų | 134.1 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -160.2 | 95.3 | 168.1 | -102.6 | 0 | 0 | 0 | 0 | 112.3 | I4 | I4-C6 PolarHBondContact O-N 3.39Š| ||
| 7 | C | 52.2 | Low | 55.4 | Low | 126 Ų | 126 | 135.2 Ų | 135.2 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | trans | -147.3 | 112 | 154.2 | -155.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | P | 48.9 | Very low | 56.9 | Low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | -70.2 | 165.2 | -170.6 | 28 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 9 | K | 43.2 | Very low | 58.2 | Low | 182 Ų | 182 | 130.4 Ų | 130.4 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -52.2 | 158 | 171.6 | -64.1 | 174.8 | 179 | 176 | 0 | 110.9 | ||
| 10 | W | 50.2 | Low | 59.2 | Low | 252 Ų | 252 | 126.2 Ų | 126.2 | 96% | 0.955 | 67% | 0.668 | S | S | * | * | trans | 104.4 | 63.5 | 175.2 | -67.3 | 62.2 | 0 | 0 | 0 | 116.8 | ||||
| 11 | T | 55.1 | Low | 60.3 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 49% | 0.491 | 66% | 0.663 | S | S | . | * | trans | -128.2 | 132.5 | 142 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | I15 | T11-I15 HydrophobicContact CG2-CB 4.5Å; T11-I15 HydrophobicContact CG2-CD1 4.39Å; T11-I15 HydrophobicContact CG2-CG2 3.87Å | ||
| 12 | S | 61.4 | Low | 62.6 | Low | 70 Ų | 70 | 119.5 Ų | 119.5 | 49% | 0.49 | 63% | 0.631 | S | S | . | * | trans | -70.5 | 162 | -178.9 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | G14 I15 K16 | S12-G14 PolarHBondContact O-N 3.06Å; S12-G14 VanDerWaalsContact O-N 3.15Å; S12-G14 PolarHBondContact OG-N 3.1Å; S12-I15 PolarHBondContact O-N 3.34Å; S12-I15 PolarHBondContact OG-N 2.98Å; S12-K16 PolarHBondContact O-N 3.45Å; S12-K16 VanDerWaalsContact O-N 3.1Å | ||
| 13 | V | 66.8 | Low | 64.6 | Low | 109 Ų | 109 | 114.4 Ų | 114.4 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.6 | -30.5 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | K17 | V13-K17 WeakPolarHBondContact O-CG 3.27Å; V13-K17 PolarHBondContact O-N 3.15Å; V13-K17 VanDerWaalsContact O-N 3.07Å |
| 14 | G | 73 | Confident | 66.8 | Low | 48 Ų | 48 | 110.1 Ų | 110.1 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -46.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S12 K16 K17 L18 | S12-G14 PolarHBondContact O-N 3.06Å; S12-G14 VanDerWaalsContact O-N 3.15Å; S12-G14 PolarHBondContact OG-N 3.1Å; G14-K16 PolarHBondContact O-N 3.36Å; G14-K17 PolarHBondContact O-N 2.96Å; G14-L18 WeakPolarHBondContact O-CB 3.49Å; G14-L18 PolarHBondContact O-N 3.24Å |
| 15 | I | 75.3 | Confident | 68.4 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 37% | 0.369 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64 | -40.6 | 177.6 | -65 | 169.6 | 0 | 0 | 0 | 110.9 | T11 S12 K17 L18 I19 | T11-I15 HydrophobicContact CG2-CB 4.5Å; T11-I15 HydrophobicContact CG2-CD1 4.39Å; T11-I15 HydrophobicContact CG2-CG2 3.87Å; S12-I15 PolarHBondContact O-N 3.34Å; S12-I15 PolarHBondContact OG-N 2.98Å; I15-K17 PolarHBondContact O-N 3Å; I15-L18 WeakPolarHBondContact O-CB 3.4Å; I15-L18 PolarHBondContact O-N 3.32Å; I15-I19 HydrophobicContact CG2-CD1 3.92Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 WeakPolarHBondContact O-CG1 3.41Å; I15-I19 PolarHBondContact O-N 3.44Å |
| 16 | K | 68.5 | Low | 70.4 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62 | -42.7 | 175.6 | -67.5 | -169.3 | 174.7 | -167.6 | 0 | 112.3 | S12 G14 C20 V695 | S12-K16 PolarHBondContact O-N 3.45Å; S12-K16 VanDerWaalsContact O-N 3.1Å; G14-K16 PolarHBondContact O-N 3.36Å; K16-C20 PolarHBondContact O-N 2.96Å; K16-C20 VanDerWaalsContact O-N 3.17Å; K16-V695 HydrophobicContact CD-CG1 4.26Å; K16-V695 HydrophobicContact CD-CG2 4.1Å |
| 17 | K | 77.5 | Confident | 72.2 | Confident | 153 Ų | 153 | 96.3 Ų | 96.3 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 173.2 | -74.4 | -174.7 | 176.7 | -172.2 | 0 | 112.2 | V13 G14 I15 C20 F21 | V13-K17 WeakPolarHBondContact O-CG 3.27Å; V13-K17 PolarHBondContact O-N 3.15Å; V13-K17 VanDerWaalsContact O-N 3.07Å; G14-K17 PolarHBondContact O-N 2.96Å; I15-K17 PolarHBondContact O-N 3Å; K17-C20 PolarHBondContact O-N 3.48Å; K17-F21 VanDerWaalsContact O-CB 3.27Å; K17-F21 WeakPolarHBondContact O-CB 3.46Å; K17-F21 PolarHBondContact O-N 3.29Å |
| 18 | L | 82.2 | Confident | 73.8 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.4 | -177.8 | 63.9 | 0 | 0 | 0 | 112.1 | G14 I15 F21 L22 | G14-L18 WeakPolarHBondContact O-CB 3.49Å; G14-L18 PolarHBondContact O-N 3.24Å; I15-L18 WeakPolarHBondContact O-CB 3.4Å; I15-L18 PolarHBondContact O-N 3.32Å; L18-F21 PolarHBondContact O-N 3.47Å; L18-L22 HydrophobicContact CD1-CD1 4.24Å; L18-L22 HydrophobicContact CD1-CG 4.3Å; L18-L22 HydrophobicContact CG-CD1 4.01Å; L18-L22 HydrophobicContact CG-CG 4.48Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 2.92Å |
| 19 | I | 82.6 | Confident | 75.8 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.7 | -67.7 | 166.4 | 0 | 0 | 0 | 110.6 | I15 F21 L22 L23 L691 | I15-I19 HydrophobicContact CG2-CD1 3.92Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 WeakPolarHBondContact O-CG1 3.41Å; I15-I19 PolarHBondContact O-N 3.44Å; I19-F21 PolarHBondContact O-N 3.07Å; I19-L22 PolarHBondContact O-N 3.46Å; I19-L23 WeakPolarHBondContact O-CB 3.14Å; I19-L23 PolarHBondContact O-N 3.21Å; I19-L691 HydrophobicContact CG2-CD2 4.28Å |
| 20 | C | 78.1 | Confident | 78 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 31% | 0.311 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | K16 K17 L22 L23 C24 L691 | K16-C20 PolarHBondContact O-N 2.96Å; K16-C20 VanDerWaalsContact O-N 3.17Å; K17-C20 PolarHBondContact O-N 3.48Å; C20-L22 PolarHBondContact O-N 3.34Å; C20-L23 PolarHBondContact O-N 3.37Å; C20-C24 WeakPolarHBondContact O-CB 3.43Å; C20-C24 PolarHBondContact O-N 2.92Å; C20-C24 PolarHBondContact O-SG 2.86Å; C20-C24 VanDerWaalsContact O-SG 3.33Å; C20-L691 HydrophobicContact CB-CD1 3.96Å |
| 21 | F | 82.8 | Confident | 79.7 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 178.2 | -177 | -113.8 | 0 | 0 | 0 | 112.7 | K17 L18 I19 C24 I25 | K17-F21 VanDerWaalsContact O-CB 3.27Å; K17-F21 WeakPolarHBondContact O-CB 3.46Å; K17-F21 PolarHBondContact O-N 3.29Å; L18-F21 PolarHBondContact O-N 3.47Å; I19-F21 PolarHBondContact O-N 3.07Å; F21-C24 PolarHBondContact O-N 2.88Å; F21-I25 HydrophobicContact CD1-CD1 3.78Å; F21-I25 HydrophobicContact CD2-CD1 4.5Å; F21-I25 HydrophobicContact CE1-CD1 3.44Å; F21-I25 VanDerWaalsContact CE1-CD1 3.44Å; F21-I25 HydrophobicContact CE2-CD1 4.2Å; F21-I25 HydrophobicContact CG-CD1 4.31Å; F21-I25 HydrophobicContact CZ-CD1 3.68Å; F21-I25 WeakPolarHBondContact O-CB 3.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.34Å; F21-I25 PolarHBondContact O-N 3.17Å |
| 22 | L | 86.9 | Confident | 81.3 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 52% | 0.518 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.6 | -72 | 170.2 | 0 | 0 | 0 | 112.4 | L18 I19 C20 I25 S26 | L18-L22 HydrophobicContact CD1-CD1 4.24Å; L18-L22 HydrophobicContact CD1-CG 4.3Å; L18-L22 HydrophobicContact CG-CD1 4.01Å; L18-L22 HydrophobicContact CG-CG 4.48Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 2.92Å; I19-L22 PolarHBondContact O-N 3.46Å; C20-L22 PolarHBondContact O-N 3.34Å; L22-I25 PolarHBondContact O-N 2.95Å; L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 3.36Å |
| 23 | L | 85.1 | Confident | 82.7 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 30% | 0.304 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 176.1 | -151.8 | 174.4 | 0 | 0 | 0 | 110.6 | I19 C20 I25 S26 V27 S687 L691 | I19-L23 WeakPolarHBondContact O-CB 3.14Å; I19-L23 PolarHBondContact O-N 3.21Å; C20-L23 PolarHBondContact O-N 3.37Å; L23-I25 VanDerWaalsContact C-N 3.31Å; L23-I25 PolarHBondContact O-N 3.45Å; L23-S26 WeakPolarHBondContact O-CB 3.28Å; L23-S26 PolarHBondContact O-N 2.97Å; L23-S26 VanDerWaalsContact O-N 3.08Å; L23-V27 HydrophobicContact CD2-CG2 3.79Å; L23-V27 PolarHBondContact O-N 3.27Å; L23-S687 VanDerWaalsContact CD2-CB 3.47Å; L23-L691 HydrophobicContact CD1-CD1 4.03Å; L23-L691 HydrophobicContact CD1-CG 4.37Å |
| 24 | C | 85 | Confident | 83.8 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 173.4 | -70 | 0 | 0 | 0 | 0 | 112.4 | C20 F21 V27 A28 | C20-C24 WeakPolarHBondContact O-CB 3.43Å; C20-C24 PolarHBondContact O-N 2.92Å; C20-C24 PolarHBondContact O-SG 2.86Å; C20-C24 VanDerWaalsContact O-SG 3.33Å; F21-C24 PolarHBondContact O-N 2.88Å; C24-V27 PolarHBondContact O-N 3.44Å; C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.88Å |
| 25 | I | 87.9 | Confident | 84.5 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 171.6 | -74.7 | 169.6 | 0 | 0 | 0 | 110.6 | F21 L22 L23 V27 A28 C29 | F21-I25 HydrophobicContact CD1-CD1 3.78Å; F21-I25 HydrophobicContact CD2-CD1 4.5Å; F21-I25 HydrophobicContact CE1-CD1 3.44Å; F21-I25 VanDerWaalsContact CE1-CD1 3.44Å; F21-I25 HydrophobicContact CE2-CD1 4.2Å; F21-I25 HydrophobicContact CG-CD1 4.31Å; F21-I25 HydrophobicContact CZ-CD1 3.68Å; F21-I25 WeakPolarHBondContact O-CB 3.44Å; F21-I25 WeakPolarHBondContact O-CG1 3.34Å; F21-I25 PolarHBondContact O-N 3.17Å; L22-I25 PolarHBondContact O-N 2.95Å; L23-I25 VanDerWaalsContact C-N 3.31Å; L23-I25 PolarHBondContact O-N 3.45Å; I25-V27 VanDerWaalsContact C-N 3.31Å; I25-V27 PolarHBondContact O-N 2.98Å; I25-A28 PolarHBondContact O-N 3.31Å; I25-C29 WeakPolarHBondContact O-CB 3.25Å; I25-C29 PolarHBondContact O-N 3.49Å; I25-C29 PolarHBondContact O-SG 2.87Å |
| 26 | S | 87 | Confident | 85.2 | Confident | 63 Ų | 63 | 85.6 Ų | 85.6 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 179.2 | -170 | 0 | 0 | 0 | 0 | 112.2 | L22 L23 L30 | L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 3.36Å; L23-S26 WeakPolarHBondContact O-CB 3.28Å; L23-S26 PolarHBondContact O-N 2.97Å; L23-S26 VanDerWaalsContact O-N 3.08Å; S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 VanDerWaalsContact O-CG 3.27Å; S26-L30 WeakPolarHBondContact O-CG 3.33Å; S26-L30 PolarHBondContact O-N 2.89Å |
| 27 | V | 86.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 84.6 Ų | 84.6 | 13% | 0.127 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L23 C24 I25 C29 L30 I31 A684 | L23-V27 HydrophobicContact CD2-CG2 3.79Å; L23-V27 PolarHBondContact O-N 3.27Å; C24-V27 PolarHBondContact O-N 3.44Å; I25-V27 VanDerWaalsContact C-N 3.31Å; I25-V27 PolarHBondContact O-N 2.98Å; V27-C29 PolarHBondContact O-N 3.35Å; V27-L30 PolarHBondContact O-N 3.35Å; V27-I31 HydrophobicContact CG1-CD1 3.65Å; V27-I31 HydrophobicContact CG1-CG1 4.33Å; V27-I31 WeakPolarHBondContact O-CB 3.38Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.27Å; V27-I31 PolarHBondContact O-N 3.02Å; V27-A684 HydrophobicContact CG1-CB 4.28Å |
| 28 | A | 86.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C24 I25 T32 | C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.88Å; I25-A28 PolarHBondContact O-N 3.31Å; A28-T32 WeakPolarHBondContact O-CB 3.49Å; A28-T32 WeakPolarHBondContact O-CG2 3.49Å; A28-T32 PolarHBondContact O-N 3.49Å; A28-T32 PolarHBondContact O-OG1 3.08Å |
| 29 | C | 90.6 | Very high | 86.9 | Confident | 72 Ų | 72 | 78 Ų | 78 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.1 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | I25 V27 T32 Y33 | I25-C29 WeakPolarHBondContact O-CB 3.25Å; I25-C29 PolarHBondContact O-N 3.49Å; I25-C29 PolarHBondContact O-SG 2.87Å; V27-C29 PolarHBondContact O-N 3.35Å; C29-T32 WeakPolarHBondContact CA-OG1 3.45Å; C29-T32 PolarHBondContact O-OG1 3.44Å; C29-Y33 WeakPolarHBondContact O-CB 3.39Å; C29-Y33 PolarHBondContact O-N 2.95Å |
| 30 | L | 88.6 | Confident | 87 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.5 | -42.4 | 175.8 | -73.4 | 169.4 | 0 | 0 | 0 | 112.2 | S26 V27 R34 | S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 VanDerWaalsContact O-CG 3.27Å; S26-L30 WeakPolarHBondContact O-CG 3.33Å; S26-L30 PolarHBondContact O-N 2.89Å; V27-L30 PolarHBondContact O-N 3.35Å; L30-R34 WeakPolarHBondContact O-CB 3.41Å; L30-R34 VanDerWaalsContact O-CG 3.23Å; L30-R34 WeakPolarHBondContact O-CG 3.26Å; L30-R34 PolarHBondContact O-N 3.32Å |
| 31 | I | 86.7 | Confident | 87.2 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 176.3 | -67.1 | 167.5 | 0 | 0 | 0 | 110.3 | V27 Y33 R34 V35 | V27-I31 HydrophobicContact CG1-CD1 3.65Å; V27-I31 HydrophobicContact CG1-CG1 4.33Å; V27-I31 WeakPolarHBondContact O-CB 3.38Å; V27-I31 VanDerWaalsContact O-CG1 3.29Å; V27-I31 WeakPolarHBondContact O-CG1 3.27Å; V27-I31 PolarHBondContact O-N 3.02Å; I31-Y33 PolarHBondContact O-N 3.38Å; I31-R34 PolarHBondContact O-N 3.45Å; I31-V35 HydrophobicContact CG2-CG2 4.27Å; I31-V35 WeakPolarHBondContact O-CB 3.35Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.49Å; I31-V35 PolarHBondContact O-N 2.9Å |
| 32 | T | 88.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 81.5 Ų | 81.5 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.1 | -37.7 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | A28 C29 V35 H36 | A28-T32 WeakPolarHBondContact O-CB 3.49Å; A28-T32 WeakPolarHBondContact O-CG2 3.49Å; A28-T32 PolarHBondContact O-N 3.49Å; A28-T32 PolarHBondContact O-OG1 3.08Å; C29-T32 WeakPolarHBondContact CA-OG1 3.45Å; C29-T32 PolarHBondContact O-OG1 3.44Å; T32-V35 PolarHBondContact O-N 3.41Å; T32-H36 WeakPolarHBondContact O-CB 3.27Å; T32-H36 PolarHBondContact O-N 2.9Å |
| 33 | Y | 91.4 | Very high | 86.7 | Confident | 146 Ų | 146 | 81.6 Ų | 81.6 | 57% | 0.573 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 170.7 | 175.2 | -99.9 | 0 | 0 | 0 | 111.8 | C29 I31 H36 V37 | C29-Y33 WeakPolarHBondContact O-CB 3.39Å; C29-Y33 PolarHBondContact O-N 2.95Å; I31-Y33 PolarHBondContact O-N 3.38Å; Y33-H36 PolarHBondContact O-N 3.26Å; Y33-V37 HydrophobicContact CD1-CG2 4.43Å; Y33-V37 HydrophobicContact CE1-CG2 3.97Å; Y33-V37 HydrophobicContact CE2-CG2 4.09Å; Y33-V37 WeakPolarHBondContact O-CG2 3.46Å; Y33-V37 PolarHBondContact O-N 2.88Å |
| 34 | R | 89 | Confident | 86.2 | Confident | 159 Ų | 159 | 81.5 Ų | 81.5 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 177.3 | -76.5 | -72 | -174.2 | 174.1 | 2.1 | 112.2 | L30 I31 H36 V37 W38 L676 | L30-R34 WeakPolarHBondContact O-CB 3.41Å; L30-R34 VanDerWaalsContact O-CG 3.23Å; L30-R34 WeakPolarHBondContact O-CG 3.26Å; L30-R34 PolarHBondContact O-N 3.32Å; I31-R34 PolarHBondContact O-N 3.45Å; R34-H36 VanDerWaalsContact C-N 3.33Å; R34-H36 PolarHBondContact O-N 2.89Å; R34-V37 PolarHBondContact O-N 2.95Å; R34-W38 VanDerWaalsContact O-CB 3.31Å; R34-W38 WeakPolarHBondContact O-CB 3.4Å; R34-W38 PolarHBondContact O-N 3.42Å; R34-L676 HydrophobicContact CB-CD1 4.12Å; R34-L676 HydrophobicContact CB-CD2 4.13Å; R34-L676 HydrophobicContact CB-CG 4.38Å |
| 35 | V | 88.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62 | -40 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | I31 T32 W38 L39 L676 | I31-V35 HydrophobicContact CG2-CG2 4.27Å; I31-V35 WeakPolarHBondContact O-CB 3.35Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.49Å; I31-V35 PolarHBondContact O-N 2.9Å; T32-V35 PolarHBondContact O-N 3.41Å; V35-W38 PolarHBondContact O-N 3.49Å; V35-L39 HydrophobicContact CG1-CD1 3.94Å; V35-L39 HydrophobicContact CG1-CG 4.33Å; V35-L39 WeakPolarHBondContact O-CB 3.31Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 2.89Å; V35-L676 HydrophobicContact CB-CD2 4.5Å; V35-L676 HydrophobicContact CG2-CD2 3.75Å |
| 36 | H | 89.8 | Confident | 84.3 | Confident | 119 Ų | 119 | 78 Ų | 78 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 176.7 | -178.8 | 69.9 | 0 | 0 | 0 | 112.8 | T32 Y33 R34 L39 K40 | T32-H36 WeakPolarHBondContact O-CB 3.27Å; T32-H36 PolarHBondContact O-N 2.9Å; Y33-H36 PolarHBondContact O-N 3.26Å; R34-H36 VanDerWaalsContact C-N 3.33Å; R34-H36 PolarHBondContact O-N 2.89Å; H36-L39 PolarHBondContact O-N 3.33Å; H36-K40 WeakPolarHBondContact O-CB 3.46Å; H36-K40 PolarHBondContact O-N 2.72Å |
| 37 | V | 89.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | Y33 R34 K40 H41 | Y33-V37 HydrophobicContact CD1-CG2 4.43Å; Y33-V37 HydrophobicContact CE1-CG2 3.97Å; Y33-V37 HydrophobicContact CE2-CG2 4.09Å; Y33-V37 WeakPolarHBondContact O-CG2 3.46Å; Y33-V37 PolarHBondContact O-N 2.88Å; R34-V37 PolarHBondContact O-N 2.95Å; V37-K40 PolarHBondContact O-N 3.41Å; V37-H41 WeakPolarHBondContact O-CB 3.43Å; V37-H41 PolarHBondContact O-N 3.21Å |
| 38 | W | 86.6 | Confident | 81.5 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 12% | 0.121 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.1 | 178.1 | 89 | 0 | 0 | 0 | 111.9 | R34 V35 H41 Y42 P669 L673 L676 | R34-W38 VanDerWaalsContact O-CB 3.31Å; R34-W38 WeakPolarHBondContact O-CB 3.4Å; R34-W38 PolarHBondContact O-N 3.42Å; V35-W38 PolarHBondContact O-N 3.49Å; W38-H41 PolarHBondContact O-N 3.35Å; W38-Y42 HydrophobicContact CH2-CD2 4.38Å; W38-Y42 HydrophobicContact CH2-CG 4.18Å; W38-Y42 HydrophobicContact CZ2-CD2 4.26Å; W38-Y42 HydrophobicContact CZ2-CG 4.37Å; W38-Y42 VanDerWaalsContact O-CB 3.28Å; W38-Y42 WeakPolarHBondContact O-CB 3.23Å; W38-Y42 PolarHBondContact O-N 2.94Å; W38-P669 HydrophobicContact CZ2-CB 3.9Å; W38-P669 VanDerWaalsContact CZ2-O 3.28Å; W38-P669 WeakPolarHBondContact CZ2-O 3.18Å; W38-L673 HydrophobicContact CE3-CD1 4.18Å; W38-L673 HydrophobicContact CH2-CB 4.15Å; W38-L673 HydrophobicContact CH2-CD1 4.48Å; W38-L673 HydrophobicContact CH2-CD2 4.11Å; W38-L673 HydrophobicContact CH2-CG 4.48Å; W38-L673 HydrophobicContact CZ2-CB 3.95Å; W38-L673 HydrophobicContact CZ3-CD1 4.15Å; W38-L673 HydrophobicContact CZ3-CD2 4.28Å; W38-L676 HydrophobicContact CB-CD2 4.3Å |
| 39 | L | 86.6 | Confident | 79.9 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 174.9 | -78.7 | 168.3 | 0 | 0 | 0 | 111.3 | V35 H36 H41 Y42 D43 | V35-L39 HydrophobicContact CG1-CD1 3.94Å; V35-L39 HydrophobicContact CG1-CG 4.33Å; V35-L39 WeakPolarHBondContact O-CB 3.31Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 2.89Å; H36-L39 PolarHBondContact O-N 3.33Å; L39-H41 VanDerWaalsContact C-N 3.26Å; L39-H41 PolarHBondContact O-N 3.49Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 WeakPolarHBondContact O-CB 3.18Å; L39-Y42 PolarHBondContact O-N 3.33Å; L39-Y42 VanDerWaalsContact O-N 3.12Å; L39-D43 PolarHBondContact O-N 2.83Å |
| 40 | K | 85.8 | Confident | 78.1 | Confident | 157 Ų | 157 | 80.7 Ų | 80.7 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.4 | -35.3 | 178.2 | -173.7 | 177.5 | -179.1 | 179.6 | 0 | 112.5 | H36 V37 S44 | H36-K40 WeakPolarHBondContact O-CB 3.46Å; H36-K40 PolarHBondContact O-N 2.72Å; V37-K40 PolarHBondContact O-N 3.41Å; K40-S44 PolarHBondContact O-N 3.42Å |
| 41 | H | 83.1 | Confident | 76.5 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.6 | -43.9 | 173.5 | -169.1 | 42.7 | 0 | 0 | 0 | 111.4 | V37 W38 L39 D43 S44 L45 | V37-H41 WeakPolarHBondContact O-CB 3.43Å; V37-H41 PolarHBondContact O-N 3.21Å; W38-H41 PolarHBondContact O-N 3.35Å; L39-H41 VanDerWaalsContact C-N 3.26Å; L39-H41 PolarHBondContact O-N 3.49Å; H41-D43 PolarHBondContact O-N 3.01Å; H41-S44 CarbonylContact O-C 3.57Å; H41-S44 PolarHBondContact O-N 2.8Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-S44 PolarHBondContact O-OG 3.18Å; H41-L45 WeakPolarHBondContact O-CG 3.42Å; H41-L45 PolarHBondContact O-N 2.91Å |
| 42 | Y | 79.6 | Confident | 74.7 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 177 | 179.3 | -103.8 | 0 | 0 | 0 | 111.7 | W38 L39 S44 L45 A46 P669 | W38-Y42 HydrophobicContact CH2-CD2 4.38Å; W38-Y42 HydrophobicContact CH2-CG 4.18Å; W38-Y42 HydrophobicContact CZ2-CD2 4.26Å; W38-Y42 HydrophobicContact CZ2-CG 4.37Å; W38-Y42 VanDerWaalsContact O-CB 3.28Å; W38-Y42 WeakPolarHBondContact O-CB 3.23Å; W38-Y42 PolarHBondContact O-N 2.94Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 WeakPolarHBondContact O-CB 3.18Å; L39-Y42 PolarHBondContact O-N 3.33Å; L39-Y42 VanDerWaalsContact O-N 3.12Å; Y42-S44 VanDerWaalsContact C-N 3.27Å; Y42-S44 PolarHBondContact O-N 3.29Å; Y42-L45 CarbonylContact O-C 3.5Å; Y42-L45 PolarHBondContact O-N 3.31Å; Y42-A46 HydrophobicContact CD1-CB 4.49Å; Y42-A46 HydrophobicContact CE1-CB 4.14Å; Y42-A46 HydrophobicContact CE2-CB 4.46Å; Y42-A46 VanDerWaalsContact O-CB 3.25Å; Y42-A46 WeakPolarHBondContact O-CB 3.42Å; Y42-A46 PolarHBondContact O-N 3.17Å; Y42-P669 HydrophobicContact CD2-CB 3.77Å; Y42-P669 HydrophobicContact CE2-CB 3.51Å; Y42-P669 HydrophobicContact CE2-CG 3.83Å |
| 43 | D | 78.2 | Confident | 72.8 | Confident | 101 Ų | 101 | 75.6 Ų | 75.6 | 54% | 0.54 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 176.3 | -65.1 | -27.7 | 0 | 0 | 0 | 111.8 | L39 H41 L45 S47 | L39-D43 PolarHBondContact O-N 2.83Å; H41-D43 PolarHBondContact O-N 3.01Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 PolarHBondContact O-N 2.88Å; D43-S47 WeakPolarHBondContact O-CB 3.37Å; D43-S47 PolarHBondContact O-N 3.03Å; D43-S47 PolarHBondContact O-OG 2.85Å |
| 44 | S | 75.7 | Confident | 71.1 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.4 | -17 | 176.9 | 80.2 | 0 | 0 | 0 | 0 | 114.6 | K40 H41 Y42 S47 | K40-S44 PolarHBondContact O-N 3.42Å; H41-S44 CarbonylContact O-C 3.57Å; H41-S44 PolarHBondContact O-N 2.8Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-S44 PolarHBondContact O-OG 3.18Å; Y42-S44 VanDerWaalsContact C-N 3.27Å; Y42-S44 PolarHBondContact O-N 3.29Å; S44-S47 PolarHBondContact O-OG 2.82Å |
| 45 | L | 68.3 | Low | 69.4 | Low | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -98 | -40.4 | 174.5 | -73.8 | 177.9 | 0 | 0 | 0 | 111.9 | H41 Y42 D43 S47 K48 M49 Y667 | H41-L45 WeakPolarHBondContact O-CG 3.42Å; H41-L45 PolarHBondContact O-N 2.91Å; Y42-L45 CarbonylContact O-C 3.5Å; Y42-L45 PolarHBondContact O-N 3.31Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 PolarHBondContact O-N 2.88Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.21Å; L45-K48 CarbonylContact O-C 3.59Å; L45-K48 VanDerWaalsContact O-CA 3.32Å; L45-K48 WeakPolarHBondContact O-CA 3.39Å; L45-K48 WeakPolarHBondContact O-CB 3.34Å; L45-K48 PolarHBondContact O-N 3.25Å; L45-M49 HydrophobicContact CB-CE 4Å; L45-M49 HydrophobicContact CB-SD 4.15Å; L45-M49 HydrophobicContact CD1-CE 4.24Å; L45-M49 HydrophobicContact CD2-CE 4.44Å; L45-M49 HydrophobicContact CG-CE 4.47Å; L45-M49 WeakPolarHBondContact O-CB 3.23Å; L45-M49 VanDerWaalsContact O-CG 3.28Å; L45-M49 WeakPolarHBondContact O-CG 3.29Å; L45-M49 PolarHBondContact O-N 2.92Å; L45-Y667 HydrophobicContact CD1-CD1 4.49Å; L45-Y667 HydrophobicContact CD1-CE1 3.96Å; L45-Y667 HydrophobicContact CD1-CE2 4.4Å |
| 46 | A | 64.4 | Low | 67.6 | Low | 32 Ų | 32 | 71.5 Ų | 71.5 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y42 K48 M49 I50 | Y42-A46 HydrophobicContact CD1-CB 4.49Å; Y42-A46 HydrophobicContact CE1-CB 4.14Å; Y42-A46 HydrophobicContact CE2-CB 4.46Å; Y42-A46 VanDerWaalsContact O-CB 3.25Å; Y42-A46 WeakPolarHBondContact O-CB 3.42Å; Y42-A46 PolarHBondContact O-N 3.17Å; A46-K48 PolarHBondContact O-N 3.45Å; A46-M49 PolarHBondContact O-N 2.87Å; A46-I50 WeakPolarHBondContact O-CG1 3.5Å |
| 47 | S | 58.1 | Low | 65.9 | Low | 74 Ų | 74 | 72.7 Ų | 72.7 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.2 | 170.2 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | D43 S44 L45 I50 | D43-S47 WeakPolarHBondContact O-CB 3.37Å; D43-S47 PolarHBondContact O-N 3.03Å; D43-S47 PolarHBondContact O-OG 2.85Å; S44-S47 PolarHBondContact O-OG 2.82Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.21Å; S47-I50 WeakPolarHBondContact O-CD1 3.3Å |
| 48 | K | 55.3 | Low | 64.4 | Low | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -17.6 | 173.3 | -59.7 | -173.8 | 178.5 | -170.5 | 0 | 113.5 | L45 A46 I50 F990 N991 | L45-K48 CarbonylContact O-C 3.59Å; L45-K48 VanDerWaalsContact O-CA 3.32Å; L45-K48 WeakPolarHBondContact O-CA 3.39Å; L45-K48 WeakPolarHBondContact O-CB 3.34Å; L45-K48 PolarHBondContact O-N 3.25Å; A46-K48 PolarHBondContact O-N 3.45Å; K48-I50 VanDerWaalsContact C-N 3.26Å; K48-I50 PolarHBondContact O-N 2.71Å; K48-F990 PolarHBondContact NZ-O 3.42Å; K48-N991 HydrophobicContact CD-CB 3.84Å |
| 49 | M | 54.2 | Low | 63 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -88.2 | 20.5 | 177.8 | -70.3 | 169.7 | 175 | 0 | 0 | 112.6 | L45 A46 I51 V663 Y667 | L45-M49 HydrophobicContact CB-CE 4Å; L45-M49 HydrophobicContact CB-SD 4.15Å; L45-M49 HydrophobicContact CD1-CE 4.24Å; L45-M49 HydrophobicContact CD2-CE 4.44Å; L45-M49 HydrophobicContact CG-CE 4.47Å; L45-M49 WeakPolarHBondContact O-CB 3.23Å; L45-M49 VanDerWaalsContact O-CG 3.28Å; L45-M49 WeakPolarHBondContact O-CG 3.29Å; L45-M49 PolarHBondContact O-N 2.92Å; A46-M49 PolarHBondContact O-N 2.87Å; M49-I51 PolarHBondContact O-N 2.93Å; M49-V663 HydrophobicContact CE-CG1 4.32Å; M49-Y667 HydrophobicContact CE-CD1 3.65Å; M49-Y667 HydrophobicContact CE-CE1 4.41Å; M49-Y667 HydrophobicContact CE-CG 4.03Å; M49-Y667 HydrophobicContact SD-CD1 4.43Å | ||
| 50 | I | 52.5 | Low | 61.9 | Low | 35 Ų | 35 | 75.8 Ų | 75.8 | 18% | 0.179 | 40% | 0.4 | C | S | . | . | trans | -74.3 | 15.9 | -177 | -33.9 | -179.1 | 0 | 0 | 0 | 113 | A46 S47 K48 S52 Q232 | A46-I50 WeakPolarHBondContact O-CG1 3.5Å; S47-I50 WeakPolarHBondContact O-CD1 3.3Å; K48-I50 VanDerWaalsContact C-N 3.26Å; K48-I50 PolarHBondContact O-N 2.71Å; I50-S52 PolarHBondContact O-N 3.49Å; I50-Q232 HydrophobicContact CG2-CB 4.41Å | ||
| 51 | I | 55.2 | Low | 61.2 | Low | 66 Ų | 66 | 69.6 Ų | 69.6 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | trans | -75.9 | 75.8 | 162.4 | -54.2 | -179.8 | 0 | 0 | 0 | 107.1 | M49 A53 Y54 | M49-I51 PolarHBondContact O-N 2.93Å; I51-A53 PolarHBondContact O-N 3.35Å; I51-Y54 HydrophobicContact CG2-CD2 4.32Å; I51-Y54 HydrophobicContact CG2-CE2 3.86Å | ||
| 52 | S | 49 | Very low | 61 | Low | 18 Ų | 18 | 67.8 Ų | 67.8 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | trans | -85.8 | 79.2 | -157 | 61 | 0 | 0 | 0 | 0 | 113.4 | I50 I229 K231 | I50-S52 PolarHBondContact O-N 3.49Å; S52-I229 PolarHBondContact N-O 3.32Å; S52-I229 PolarHBondContact OG-O 2.84Å; S52-K231 WeakPolarHBondContact OG-CD 3.27Å; S52-K231 VanDerWaalsContact OG-CG 3.22Å; S52-K231 WeakPolarHBondContact OG-CG 3.44Å; S52-K231 PolarHBondContact OG-N 3.32Å; S52-K231 VanDerWaalsContact OG-N 3.16Å | ||
| 53 | A | 48.4 | Very low | 61.1 | Low | 57 Ų | 57 | 64.5 Ų | 64.5 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | trans | 78.8 | 132 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I51 | I51-A53 PolarHBondContact O-N 3.35Š| ||
| 54 | Y | 55.1 | Low | 61.6 | Low | 66 Ų | 66 | 59.7 Ų | 59.7 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 140.7 | 153.4 | -76.9 | -124.3 | 0 | 0 | 0 | 106.6 | I51 D56 L226 | I51-Y54 HydrophobicContact CG2-CD2 4.32Å; I51-Y54 HydrophobicContact CG2-CE2 3.86Å; Y54-D56 PolarHBondContact O-N 3.04Å; Y54-L226 HydrophobicContact CD1-CD2 4.38Å; Y54-L226 HydrophobicContact CE1-CD1 4.3Å; Y54-L226 HydrophobicContact CE1-CD2 4.06Å |
| 55 | D | 53.3 | Low | 62.4 | Low | 47 Ų | 47 | 57.8 Ų | 57.8 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | trans | -75.9 | 121.1 | -178.4 | -167.8 | -21.7 | 0 | 0 | 0 | 110.4 | H57 Q58 K227 | D55-H57 PolarHBondContact O-N 2.78Å; D55-H57 VanDerWaalsContact O-N 3.15Å; D55-H57 WeakPolarHBondContact OD1-CA 3.28Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.31Å; D55-Q58 VanDerWaalsContact O-CG 3.25Å; D55-Q58 WeakPolarHBondContact O-CG 3.13Å; D55-Q58 PolarHBondContact O-NE2 3.24Å; D55-K227 HydrophobicContact CB-CD 4.29Å; D55-K227 HydrophobicContact CB-CG 4.5Å | ||
| 56 | D | 51.5 | Low | 63.5 | Low | 147 Ų | 147 | 56.7 Ų | 56.7 | 79% | 0.786 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -10.9 | 175.2 | -71 | -41.7 | 0 | 0 | 0 | 112.6 | Y54 | Y54-D56 PolarHBondContact O-N 3.04Š|
| 57 | H | 53.2 | Low | 65 | Low | 145 Ų | 145 | 55.2 Ų | 55.2 | 67% | 0.671 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 31.5 | -177.5 | -64.3 | 7.1 | 0 | 0 | 0 | 113.1 | D55 S59 | D55-H57 PolarHBondContact O-N 2.78Å; D55-H57 VanDerWaalsContact O-N 3.15Å; D55-H57 WeakPolarHBondContact OD1-CA 3.28Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.31Å; H57-S59 PolarHBondContact O-N 3.46Å |
| 58 | Q | 58.9 | Low | 66.8 | Low | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -53.7 | -4.6 | 173.8 | -84.4 | 166.5 | 58.8 | 0 | 0 | 116.9 | D55 N60 L61 L657 | D55-Q58 VanDerWaalsContact O-CG 3.25Å; D55-Q58 WeakPolarHBondContact O-CG 3.13Å; D55-Q58 PolarHBondContact O-NE2 3.24Å; Q58-N60 PolarHBondContact O-N 2.8Å; Q58-N60 VanDerWaalsContact O-N 3.09Å; Q58-L61 HydrophobicContact CB-CD1 4.07Å; Q58-L61 HydrophobicContact CG-CD1 3.9Å; Q58-L61 HydrophobicContact CG-CG 4.47Å; Q58-L61 PolarHBondContact O-N 2.92Å; Q58-L657 VanDerWaalsContact OE1-CD1 3.27Å |
| 59 | S | 56.3 | Low | 68.7 | Low | 61 Ų | 61 | 46.1 Ų | 46.1 | 43% | 0.427 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -59.6 | -20.9 | 177.4 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | H57 | H57-S59 PolarHBondContact O-N 3.46Š|
| 60 | N | 64.3 | Low | 70.7 | Confident | 140 Ų | 140 | 44.7 Ų | 44.7 | 75% | 0.749 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -108.8 | 19.3 | -172.4 | -60.5 | 14.9 | 0 | 0 | 0 | 113 | Q58 | Q58-N60 PolarHBondContact O-N 2.8Å; Q58-N60 VanDerWaalsContact O-N 3.09Å |
| 61 | L | 71.1 | Confident | 72.7 | Confident | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 132.4 | 176.6 | -80.8 | 169.5 | 0 | 0 | 0 | 111.9 | Q58 G225 K227 I296 | Q58-L61 HydrophobicContact CB-CD1 4.07Å; Q58-L61 HydrophobicContact CG-CD1 3.9Å; Q58-L61 HydrophobicContact CG-CG 4.47Å; Q58-L61 PolarHBondContact O-N 2.92Å; L61-G225 WeakPolarHBondContact CD1-O 3.31Å; L61-K227 HydrophobicContact CD2-CB 4.2Å; L61-I296 HydrophobicContact CD2-CD1 4.25Å; L61-I296 HydrophobicContact CD2-CG2 4Å |
| 62 | P | 78.3 | Confident | 74.6 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 150.7 | 175.8 | 29.4 | -34.2 | 0 | 0 | 0 | 111.5 | I296 Y298 | P62-I296 HydrophobicContact CG-CD1 3.75Å; P62-Y298 PolarHBondContact O-OH 2.81Å |
| 63 | F | 82.8 | Confident | 76.7 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 136.2 | 170.4 | -166.5 | -76 | 0 | 0 | 0 | 109.8 | I66 L165 I168 I171 I648 L650 | F63-I66 HydrophobicContact CE1-CD1 3.91Å; F63-I66 HydrophobicContact CE1-CG1 4.32Å; F63-L165 HydrophobicContact CB-CB 3.9Å; F63-L165 HydrophobicContact CB-CD1 4.43Å; F63-L165 HydrophobicContact CD1-CD1 3.7Å; F63-L165 HydrophobicContact CE1-CD1 4.44Å; F63-L165 HydrophobicContact CG-CB 4.37Å; F63-L165 HydrophobicContact CG-CD1 4.37Å; F63-I168 WeakPolarHBondContact CD2-O 3.41Å; F63-I171 HydrophobicContact CD1-CD1 4.07Å; F63-I171 HydrophobicContact CE1-CD1 3.46Å; F63-I171 VanDerWaalsContact CE1-CD1 3.46Å; F63-I171 HydrophobicContact CE1-CG1 4.1Å; F63-I171 HydrophobicContact CE2-CD1 4.49Å; F63-I171 HydrophobicContact CE2-CG1 4.4Å; F63-I171 HydrophobicContact CZ-CB 4.39Å; F63-I171 HydrophobicContact CZ-CD1 3.7Å; F63-I171 HydrophobicContact CZ-CG1 3.78Å; F63-I648 HydrophobicContact CZ-CG2 4.05Å; F63-L650 HydrophobicContact CB-CD2 4.25Å; F63-L650 HydrophobicContact CD2-CB 3.63Å; F63-L650 HydrophobicContact CD2-CD2 3.92Å; F63-L650 HydrophobicContact CD2-CG 4.36Å; F63-L650 HydrophobicContact CE2-CB 3.68Å; F63-L650 HydrophobicContact CG-CD2 4.43Å |
| 64 | P | 88.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 144.2 | -177.3 | 23.6 | -33.8 | 0 | 0 | 0 | 112.5 | I66 L196 A223 Y298 | P64-I66 PolarHBondContact O-N 2.89Å; P64-L196 HydrophobicContact CB-CB 4Å; P64-L196 HydrophobicContact CG-CB 4.34Å; P64-L196 HydrophobicContact CG-CD1 4.37Å; P64-L196 HydrophobicContact CG-CD2 4.41Å; P64-A223 HydrophobicContact CG-CB 4.4Å; P64-Y298 HydrophobicContact CB-CD1 3.93Å; P64-Y298 HydrophobicContact CB-CD2 3.84Å; P64-Y298 HydrophobicContact CB-CE1 3.8Å; P64-Y298 HydrophobicContact CB-CE2 3.71Å; P64-Y298 HydrophobicContact CB-CG 3.95Å; P64-Y298 HydrophobicContact CG-CD1 4.06Å; P64-Y298 HydrophobicContact CG-CE1 4.02Å; P64-Y298 HydrophobicContact CG-CG 4.44Å |
| 65 | L | 90.8 | Very high | 80.8 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 135.6 | 162.2 | -68.2 | 177.1 | 0 | 0 | 0 | 108.9 | T160 L196 H197 Y199 | L65-T160 HydrophobicContact CB-CG2 4.15Å; L65-L196 WeakPolarHBondContact O-CA 3.41Å; L65-H197 WeakPolarHBondContact CB-CE1 3.43Å; L65-H197 WeakPolarHBondContact CB-NE2 3.42Å; L65-H197 PolarHBondContact N-O 3.47Å; L65-H197 PolarHBondContact O-CD2 2.82Å; L65-H197 VanDerWaalsContact O-CD2 3.24Å; L65-H197 PolarHBondContact O-N 3.44Å; L65-Y199 HydrophobicContact CD1-CD1 3.86Å; L65-Y199 HydrophobicContact CD1-CD2 4.2Å; L65-Y199 HydrophobicContact CD1-CE1 3.97Å; L65-Y199 HydrophobicContact CD1-CE2 4.3Å; L65-Y199 HydrophobicContact CD1-CG 3.99Å; L65-Y199 HydrophobicContact CD2-CE1 4.12Å; L65-Y199 HydrophobicContact CD2-CE2 4.16Å; L65-Y199 HydrophobicContact CG-CD2 4.35Å; L65-Y199 HydrophobicContact CG-CE1 4.39Å; L65-Y199 HydrophobicContact CG-CE2 4.09Å |
| 66 | I | 93 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112.6 | 179.6 | -58.2 | 158.2 | 0 | 0 | 0 | 108.1 | F63 P64 I68 T160 L161 I171 I194 L195 L196 I648 | F63-I66 HydrophobicContact CE1-CD1 3.91Å; F63-I66 HydrophobicContact CE1-CG1 4.32Å; P64-I66 PolarHBondContact O-N 2.89Å; I66-I68 HydrophobicContact CG2-CG1 4.02Å; I66-T160 CarbonylContact O-C 3.53Å; I66-T160 WeakPolarHBondContact O-CA 3.34Å; I66-L161 HydrophobicContact CB-CB 4.42Å; I66-L161 HydrophobicContact CD1-CD2 4.16Å; I66-L161 PolarHBondContact O-N 3.49Å; I66-I171 HydrophobicContact CD1-CB 4.23Å; I66-I171 HydrophobicContact CD1-CD1 3.72Å; I66-I171 HydrophobicContact CD1-CG2 4.04Å; I66-I194 HydrophobicContact CG2-CG2 4.07Å; I66-L195 WeakPolarHBondContact CA-O 3.42Å; I66-L196 HydrophobicContact CB-CD2 4.26Å; I66-L196 HydrophobicContact CG1-CD2 3.66Å; I66-L196 HydrophobicContact CG2-CD2 4.26Å; I66-I648 HydrophobicContact CD1-CD1 3.63Å; I66-I648 HydrophobicContact CG1-CD1 3.91Å; I66-I648 HydrophobicContact CG2-CD1 3.8Å |
| 67 | S | 95.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.4 | 168.7 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | T160 I194 L195 H197 L203 | S67-T160 PolarHBondContact OG-OG1 2.81Å; S67-I194 WeakPolarHBondContact O-CA 3.31Å; S67-L195 PolarHBondContact N-O 2.76Å; S67-L195 PolarHBondContact O-N 3.36Å; S67-H197 PolarHBondContact OG-NE2 2.99Å; S67-L203 WeakPolarHBondContact OG-CD2 3.32Å |
| 68 | I | 95.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.7 | -179.4 | -50.3 | 172.4 | 0 | 0 | 0 | 108.5 | I66 F148 C158 Y159 L173 L175 F192 | I66-I68 HydrophobicContact CG2-CG1 4.02Å; I68-F148 HydrophobicContact CD1-CE1 3.72Å; I68-F148 HydrophobicContact CD1-CZ 4.31Å; I68-C158 CarbonylContact O-C 3.56Å; I68-C158 WeakPolarHBondContact O-CA 3.04Å; I68-Y159 PolarHBondContact N-O 2.84Å; I68-Y159 PolarHBondContact O-N 2.89Å; I68-L173 HydrophobicContact CD1-CD1 3.69Å; I68-L175 HydrophobicContact CD1-CD1 4.45Å; I68-L175 HydrophobicContact CG2-CD1 3.83Å; I68-F192 HydrophobicContact CG2-CB 4.29Å; I68-F192 HydrophobicContact CG2-CD1 3.6Å; I68-F192 HydrophobicContact CG2-CE1 4.26Å; I68-F192 HydrophobicContact CG2-CG 4.14Å |
| 69 | C | 96.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.2 | 174.5 | -35.4 | 0 | 0 | 0 | 0 | 109.2 | C158 F192 R193 L195 | C69-C158 HydrophobicContact CB-CB 4.03Å; C69-C158 WeakPolarHBondContact CB-SG 3.49Å; C69-C158 WeakPolarHBondContact SG-CB 3.36Å; C69-C158 CovalentContact SG-SG 2.04Å; C69-C158 PolarHBondContact SG-SG 2.86Å; C69-F192 CarbonylContact O-C 3.59Å; C69-F192 VanDerWaalsContact O-CA 3.29Å; C69-F192 WeakPolarHBondContact O-CA 3.31Å; C69-R193 HydrophobicContact CB-CB 4.3Å; C69-R193 PolarHBondContact N-O 3.18Å; C69-R193 PolarHBondContact O-N 3.2Å; C69-L195 VanDerWaalsContact SG-CD1 3.53Å |
| 70 | N | 95.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.5 | 167.7 | -161.2 | -44.5 | 0 | 0 | 0 | 108.3 | N72 H127 M132 P177 Y182 G191 F192 | N70-N72 PolarHBondContact O-N 3.38Å; N70-N72 PolarHBondContact OD1-N 3.49Å; N70-N72 VanDerWaalsContact OD1-N 3.13Å; N70-H127 HydrophobicContact CB-CB 4.37Å; N70-H127 PolarHBondContact ND2-CD2 2.92Å; N70-M132 HydrophobicContact CB-SD 3.98Å; N70-M132 PolarHBondContact ND2-SD 3.03Å; N70-M132 VanDerWaalsContact ND2-SD 3.38Å; N70-P177 PolarHBondContact ND2-O 2.99Å; N70-Y182 WeakPolarHBondContact OD1-CE2 3.14Å; N70-Y182 VanDerWaalsContact OD1-CZ 3.31Å; N70-Y182 PolarHBondContact OD1-OH 3.19Å; N70-G191 PolarHBondContact OD1-O 3.31Å; N70-F192 HydrophobicContact CB-CD1 4.43Å; N70-F192 HydrophobicContact CB-CE1 4.27Å |
| 71 | I | 93.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 16.9 Ų | 16.9 | 11% | 0.108 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -66.5 | -31.7 | 176.2 | -70.4 | 171.9 | 0 | 0 | 0 | 110.8 | F189 G191 R193 Y212 | I71-F189 HydrophobicContact CD1-CB 4.21Å; I71-F189 HydrophobicContact CG2-CB 3.88Å; I71-G191 WeakPolarHBondContact CG1-O 3.46Å; I71-G191 PolarHBondContact N-O 3.22Å; I71-G191 VanDerWaalsContact N-O 3.08Å; I71-R193 HydrophobicContact CG1-CG 4.12Å; I71-Y212 HydrophobicContact CD1-CD1 3.73Å; I71-Y212 HydrophobicContact CD1-CE1 4.17Å; I71-Y212 HydrophobicContact CG1-CD1 4.34Å; I71-Y212 HydrophobicContact CG1-CE1 4.39Å |
| 72 | N | 94.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -84 | 125.1 | 174.4 | -177.8 | 63.3 | 0 | 0 | 0 | 111.2 | N70 A74 H127 Y182 L183 | N70-N72 PolarHBondContact O-N 3.38Å; N70-N72 PolarHBondContact OD1-N 3.49Å; N70-N72 VanDerWaalsContact OD1-N 3.13Å; N72-A74 PolarHBondContact ND2-O 3.48Å; N72-H127 PolarHBondContact ND2-NE2 2.99Å; N72-Y182 HydrophobicContact CB-CD1 3.86Å; N72-Y182 HydrophobicContact CB-CD2 3.42Å; N72-Y182 VanDerWaalsContact CB-CD2 3.42Å; N72-Y182 HydrophobicContact CB-CE1 3.83Å; N72-Y182 HydrophobicContact CB-CE2 3.38Å; N72-Y182 HydrophobicContact CB-CG 3.66Å; N72-L183 WeakPolarHBondContact OD1-CG 3.48Å; N72-L183 PolarHBondContact OD1-N 3.12Å |
| 73 | P | 93.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 7% | 0.071 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -73.3 | -34.1 | -170.9 | 28.9 | -36.7 | 0 | 0 | 0 | 113.7 | F97 F101 L183 | P73-F97 HydrophobicContact CG-CE1 4.28Å; P73-F97 HydrophobicContact CG-CZ 4.46Å; P73-F101 HydrophobicContact CB-CE2 4.01Å; P73-F101 HydrophobicContact CB-CZ 4.39Å; P73-F101 HydrophobicContact CG-CD2 4.29Å; P73-F101 HydrophobicContact CG-CE1 4.49Å; P73-F101 HydrophobicContact CG-CE2 3.67Å; P73-F101 HydrophobicContact CG-CZ 3.8Å; P73-L183 HydrophobicContact CG-CD1 4.23Å |
| 74 | A | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -148.4 | 141 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N72 G76 L79 F97 A125 L183 | N72-A74 PolarHBondContact ND2-O 3.48Å; A74-G76 PolarHBondContact O-N 3.48Å; A74-L79 HydrophobicContact CB-CD1 3.95Å; A74-L79 HydrophobicContact CB-CG 4.42Å; A74-F97 HydrophobicContact CB-CD1 4.44Å; A74-F97 HydrophobicContact CB-CE1 3.88Å; A74-F97 HydrophobicContact CB-CZ 4.2Å; A74-A125 HydrophobicContact CB-CB 3.73Å; A74-L183 HydrophobicContact CB-CD1 4.42Å; A74-L183 WeakPolarHBondContact O-CD2 3.43Å; A74-L183 VanDerWaalsContact O-CG 3.29Å; A74-L183 WeakPolarHBondContact O-CG 3.44Å |
| 75 | R | 94.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 27.3 Ų | 27.3 | 12% | 0.121 | 15% | 0.153 | C | C | . | . | trans | -71.6 | 124.8 | -179.6 | -74.4 | 176.6 | -67.6 | 160.7 | 7.9 | 111.4 | T77 K78 L79 A125 S126 H127 D181 | R75-T77 PolarHBondContact O-N 3.44Å; R75-K78 HydrophobicContact CB-CB 4.2Å; R75-K78 PolarHBondContact O-N 2.88Å; R75-L79 PolarHBondContact O-N 3.19Å; R75-L79 VanDerWaalsContact O-N 3.08Å; R75-A125 WeakPolarHBondContact CB-O 3.05Å; R75-A125 PolarHBondContact N-O 3.4Å; R75-A125 PolarHBondContact NE-O 3.29Å; R75-S126 PolarHBondContact NE-O 2.89Å; R75-S126 PolarHBondContact NH2-O 2.04Å; R75-S126 VanDerWaalsContact NH2-O 3.16Å; R75-H127 HydrophobicContact CG-CB 4.45Å; R75-D181 VanDerWaalsContact CB-OD2 3.27Å; R75-D181 WeakPolarHBondContact CB-OD2 3.37Å; R75-D181 WeakPolarHBondContact CD-OD2 3.4Å; R75-D181 HydrophobicContact CG-CB 4.47Å; R75-D181 WeakPolarHBondContact CG-OD2 3.24Å | ||
| 76 | G | 93.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A74 K78 L79 Y80 D181 L399 | A74-G76 PolarHBondContact O-N 3.48Å; G76-K78 PolarHBondContact O-N 3.49Å; G76-K78 VanDerWaalsContact O-N 3.14Å; G76-L79 PolarHBondContact O-N 3.49Å; G76-L79 VanDerWaalsContact O-N 3.13Å; G76-Y80 PolarHBondContact O-N 2.96Å; G76-D181 PolarHBondContact N-O 3.36Å; G76-D181 PolarHBondContact N-OD1 2.99Å; G76-D181 VanDerWaalsContact N-OD1 3.1Å; G76-L399 VanDerWaalsContact O-CD2 3.28Å; G76-L399 WeakPolarHBondContact O-CD2 3.4Å |
| 77 | T | 92.3 | Very high | 85.8 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -26.3 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | R75 D81 I82 D181 L399 | R75-T77 PolarHBondContact O-N 3.44Å; T77-D81 PolarHBondContact O-N 3.45Å; T77-I82 HydrophobicContact CG2-CD1 3.8Å; T77-D181 VanDerWaalsContact CB-OD1 3.31Å; T77-D181 WeakPolarHBondContact CB-OD1 3.37Å; T77-D181 VanDerWaalsContact CG2-OD1 3.26Å; T77-D181 WeakPolarHBondContact CG2-OD1 3.47Å; T77-D181 PolarHBondContact N-OD1 2.8Å; T77-D181 PolarHBondContact OG1-OD1 3.32Å; T77-D181 PolarHBondContact OG1-OD2 2.96Å; T77-L399 HydrophobicContact CG2-CD2 4.34Å |
| 78 | K | 92.5 | Very high | 84.3 | Confident | 71 Ų | 71 | 46 Ų | 46 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -91.4 | -23.5 | 177.6 | -166.7 | 51.3 | -174.6 | 164.5 | 0 | 114.2 | R75 G76 D81 | R75-K78 HydrophobicContact CB-CB 4.2Å; R75-K78 PolarHBondContact O-N 2.88Å; G76-K78 PolarHBondContact O-N 3.49Å; G76-K78 VanDerWaalsContact O-N 3.14Å; K78-D81 IonicContact NZ-OD1 3.56Å; K78-D81 PolarHBondContact NZ-OD1 3.36Å |
| 79 | L | 92.5 | Very high | 83.2 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.5 | -36 | 167.1 | -68.6 | 174.9 | 0 | 0 | 0 | 112.3 | A74 R75 G76 D81 D93 Y94 F97 L121 A125 L183 | A74-L79 HydrophobicContact CB-CD1 3.95Å; A74-L79 HydrophobicContact CB-CG 4.42Å; R75-L79 PolarHBondContact O-N 3.19Å; R75-L79 VanDerWaalsContact O-N 3.08Å; G76-L79 PolarHBondContact O-N 3.49Å; G76-L79 VanDerWaalsContact O-N 3.13Å; L79-D81 PolarHBondContact O-N 3.4Å; L79-D93 WeakPolarHBondContact O-CB 3.36Å; L79-Y94 HydrophobicContact CB-CD2 4.12Å; L79-Y94 HydrophobicContact CB-CG 4.38Å; L79-Y94 PolarHBondContact O-N 3.41Å; L79-F97 HydrophobicContact CD1-CB 3.94Å; L79-F97 HydrophobicContact CD1-CD1 3.47Å; L79-F97 VanDerWaalsContact CD1-CD1 3.47Å; L79-F97 HydrophobicContact CD1-CE1 4.26Å; L79-F97 HydrophobicContact CD1-CG 3.86Å; L79-F97 HydrophobicContact CD2-CB 4.32Å; L79-F97 HydrophobicContact CD2-CG 4.43Å; L79-L121 HydrophobicContact CD2-CD1 4Å; L79-L121 HydrophobicContact CD2-CD2 3.98Å; L79-L121 HydrophobicContact CD2-CG 3.73Å; L79-A125 HydrophobicContact CD2-CB 3.52Å; L79-A125 HydrophobicContact CG-CB 3.82Å; L79-L183 HydrophobicContact CD1-CD1 4.35Å; L79-L183 HydrophobicContact CD1-CD2 3.92Å |
| 80 | Y | 91.4 | Very high | 82.4 | Confident | 6 Ų | 6 | 51 Ų | 51 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.5 | 174.5 | -165 | -92.8 | 0 | 0 | 0 | 112.7 | G76 I82 R90 G91 L399 W402 D516 I519 | G76-Y80 PolarHBondContact O-N 2.96Å; Y80-I82 HydrophobicContact CD1-CG1 3.81Å; Y80-R90 HydrophobicContact CD1-CG 4.02Å; Y80-R90 HydrophobicContact CE1-CG 3.65Å; Y80-R90 WeakPolarHBondContact O-CG 3.23Å; Y80-G91 VanDerWaalsContact CE2-CA 3.48Å; Y80-L399 HydrophobicContact CD1-CD1 4.29Å; Y80-L399 HydrophobicContact CD2-CD1 3.32Å; Y80-L399 HydrophobicContact CE2-CD1 3.93Å; Y80-L399 HydrophobicContact CG-CD1 3.55Å; Y80-L399 HydrophobicContact CG-CD2 4.31Å; Y80-W402 HydrophobicContact CD2-CE3 4.36Å; Y80-W402 AromaticContact CD2-CH2 3.89Å; Y80-W402 HydrophobicContact CD2-CH2 3.89Å; Y80-W402 HydrophobicContact CD2-CZ2 4.2Å; Y80-W402 AromaticContact CD2-CZ3 3.97Å; Y80-W402 HydrophobicContact CD2-CZ3 3.97Å; Y80-W402 HydrophobicContact CE2-CD2 4.16Å; Y80-W402 AromaticContact CE2-CE2 3.78Å; Y80-W402 HydrophobicContact CE2-CE3 4.28Å; Y80-W402 AromaticContact CE2-CH2 3.76Å; Y80-W402 HydrophobicContact CE2-CH2 3.76Å; Y80-W402 AromaticContact CE2-CZ2 3.58Å; Y80-W402 HydrophobicContact CE2-CZ2 3.58Å; Y80-W402 HydrophobicContact CE2-CZ3 4.1Å; Y80-D516 VanDerWaalsContact OH-CG 3.29Å; Y80-D516 PolarHBondContact OH-OD2 3.19Å; Y80-I519 HydrophobicContact CD1-CD1 4.34Å; Y80-I519 HydrophobicContact CE1-CD1 3.56Å; Y80-I519 HydrophobicContact CE2-CD1 4.23Å |
| 81 | D | 86.4 | Confident | 81.9 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 61.7 | -174.4 | -159.6 | 64.7 | 0 | 0 | 0 | 113.8 | T77 K78 L79 Q83 S84 | T77-D81 PolarHBondContact O-N 3.45Å; K78-D81 IonicContact NZ-OD1 3.56Å; K78-D81 PolarHBondContact NZ-OD1 3.36Å; L79-D81 PolarHBondContact O-N 3.4Å; D81-Q83 PolarHBondContact O-N 3.28Å; D81-S84 PolarHBondContact O-N 3.02Å; D81-S84 VanDerWaalsContact O-N 3.07Å; D81-S84 PolarHBondContact O-OG 3Å; D81-S84 VanDerWaalsContact OD2-CB 3.23Å; D81-S84 WeakPolarHBondContact OD2-CB 3.49Å; D81-S84 PolarHBondContact OD2-N 3.04Å; D81-S84 PolarHBondContact OD2-OG 2.66Å |
| 82 | I | 77.5 | Confident | 81.6 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -13.4 | -179.6 | -75.4 | 179.6 | 0 | 0 | 0 | 115.6 | T77 Y80 N395 P513 | T77-I82 HydrophobicContact CG2-CD1 3.8Å; Y80-I82 HydrophobicContact CD1-CG1 3.81Å; I82-N395 HydrophobicContact CD1-CB 4.05Å; I82-P513 HydrophobicContact CB-CB 4.33Å; I82-P513 HydrophobicContact CD1-CB 4.02Å; I82-P513 HydrophobicContact CD1-CG 4.41Å; I82-P513 HydrophobicContact CG1-CB 4.03Å; I82-P513 HydrophobicContact CG2-CB 3.54Å |
| 83 | Q | 70.5 | Confident | 81.4 | Confident | 159 Ų | 159 | 51.7 Ų | 51.7 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -16.7 | -177 | -65.4 | -179.4 | -9.7 | 0 | 0 | 114.4 | D81 | D81-Q83 PolarHBondContact O-N 3.28Š|
| 84 | S | 66.8 | Low | 81.3 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | trans | -77 | 130.4 | 177.8 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | D81 E86 R90 | D81-S84 PolarHBondContact O-N 3.02Å; D81-S84 VanDerWaalsContact O-N 3.07Å; D81-S84 PolarHBondContact O-OG 3Å; D81-S84 VanDerWaalsContact OD2-CB 3.23Å; D81-S84 WeakPolarHBondContact OD2-CB 3.49Å; D81-S84 PolarHBondContact OD2-N 3.04Å; D81-S84 PolarHBondContact OD2-OG 2.66Å; S84-E86 VanDerWaalsContact C-N 3.28Å; S84-R90 PolarHBondContact O-NE 3.3Å; S84-R90 PolarHBondContact O-NH2 3.45Å | ||
| 85 | A | 57.9 | Low | 81.2 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 79% | 0.793 | 28% | 0.276 | S | S | * | . | trans | -77.3 | -15.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 86 | E | 62.1 | Low | 81 | Confident | 162 Ų | 162 | 50.4 Ų | 50.4 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | trans | -75.4 | 127.4 | 178.3 | -66 | 175 | 170.1 | 0 | 0 | 109.9 | S84 | S84-E86 VanDerWaalsContact C-N 3.28Š| ||
| 87 | S | 62.4 | Low | 80.9 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | trans | -102.9 | -13.4 | -167.3 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 88 | Q | 65.7 | Low | 80.9 | Confident | 175 Ų | 175 | 49.1 Ų | 49.1 | 82% | 0.818 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -77.1 | -36.7 | -171.8 | -172 | 161 | -16.6 | 0 | 0 | 113.1 | ||
| 89 | D | 70.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -109.9 | 4 | -174.8 | -98.2 | 44.1 | 0 | 0 | 0 | 113.6 | V92 K113 | D89-V92 VanDerWaalsContact O-CB 3.3Å; D89-V92 WeakPolarHBondContact O-CB 3.42Å; D89-V92 WeakPolarHBondContact O-CG2 3.46Å; D89-V92 PolarHBondContact O-N 3.14Å; D89-K113 WeakPolarHBondContact OD2-CE 3.46Å; D89-K113 IonicContact OD2-NZ 3.01Å; D89-K113 PolarHBondContact OD2-NZ 3.49Å; D89-K113 VanDerWaalsContact OD2-NZ 3.08Å |
| 90 | R | 79.8 | Confident | 80.7 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 141.4 | -177.9 | -161.4 | -171.4 | -67.7 | 157 | -13 | 110.5 | Y80 S84 V92 G514 D516 | Y80-R90 HydrophobicContact CD1-CG 4.02Å; Y80-R90 HydrophobicContact CE1-CG 3.65Å; Y80-R90 WeakPolarHBondContact O-CG 3.23Å; S84-R90 PolarHBondContact O-NE 3.3Å; S84-R90 PolarHBondContact O-NH2 3.45Å; R90-V92 PolarHBondContact O-N 2.83Å; R90-V92 VanDerWaalsContact O-N 3.11Å; R90-G514 PolarHBondContact NH1-O 3.23Å; R90-G514 PolarHBondContact NH2-O 3.12Å; R90-D516 WeakPolarHBondContact CD-OD2 3.37Å; R90-D516 IonicContact CZ-OD2 3.22Å; R90-D516 IonicContact NH1-OD2 2.64Å; R90-D516 PolarHBondContact NH1-OD2 3.09Å |
| 91 | G | 87.1 | Confident | 80.7 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -18.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y80 D93 Y94 E95 | Y80-G91 VanDerWaalsContact CE2-CA 3.48Å; G91-D93 VanDerWaalsContact C-N 3.27Å; G91-D93 PolarHBondContact O-N 3.39Å; G91-Y94 WeakPolarHBondContact O-CA 3.27Å; G91-Y94 VanDerWaalsContact O-CB 3.28Å; G91-Y94 WeakPolarHBondContact O-CB 3.5Å; G91-Y94 PolarHBondContact O-N 2.75Å; G91-E95 PolarHBondContact O-N 3.02Å |
| 92 | V | 87.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -37.9 | -177.5 | 176 | 0 | 0 | 0 | 0 | 111.9 | D89 R90 Y94 E95 I96 F109 K113 | D89-V92 VanDerWaalsContact O-CB 3.3Å; D89-V92 WeakPolarHBondContact O-CB 3.42Å; D89-V92 WeakPolarHBondContact O-CG2 3.46Å; D89-V92 PolarHBondContact O-N 3.14Å; R90-V92 PolarHBondContact O-N 2.83Å; R90-V92 VanDerWaalsContact O-N 3.11Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 3.24Å; V92-E95 PolarHBondContact O-N 3.19Å; V92-I96 HydrophobicContact CG1-CD1 3.53Å; V92-I96 HydrophobicContact CG1-CG1 4.06Å; V92-I96 VanDerWaalsContact O-CB 3.25Å; V92-I96 WeakPolarHBondContact O-CB 3.28Å; V92-I96 VanDerWaalsContact O-CG1 3.25Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.3Å; V92-F109 HydrophobicContact CG1-CD1 4.13Å; V92-F109 HydrophobicContact CG1-CE1 4.4Å; V92-K113 HydrophobicContact CG1-CD 3.85Å |
| 93 | D | 89.2 | Confident | 81.3 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -30 | 176.2 | -69.6 | 31.9 | 0 | 0 | 0 | 112.5 | L79 G91 F97 K113 | L79-D93 WeakPolarHBondContact O-CB 3.36Å; G91-D93 VanDerWaalsContact C-N 3.27Å; G91-D93 PolarHBondContact O-N 3.39Å; D93-F97 VanDerWaalsContact O-CB 3.24Å; D93-F97 WeakPolarHBondContact O-CB 3.23Å; D93-F97 PolarHBondContact O-N 2.75Å; D93-F97 VanDerWaalsContact O-N 3.11Å; D93-K113 WeakPolarHBondContact OD1-CE 3.28Å; D93-K113 IonicContact OD1-NZ 3.17Å; D93-K113 PolarHBondContact OD1-NZ 2.87Å |
| 94 | Y | 92.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -47.3 | 170.8 | -173.9 | -66.4 | 0 | 0 | 0 | 110.7 | L79 G91 V92 F97 S98 L183 V184 L399 W402 A403 | L79-Y94 HydrophobicContact CB-CD2 4.12Å; L79-Y94 HydrophobicContact CB-CG 4.38Å; L79-Y94 PolarHBondContact O-N 3.41Å; G91-Y94 WeakPolarHBondContact O-CA 3.27Å; G91-Y94 VanDerWaalsContact O-CB 3.28Å; G91-Y94 WeakPolarHBondContact O-CB 3.5Å; G91-Y94 PolarHBondContact O-N 2.75Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 3.24Å; Y94-F97 PolarHBondContact O-N 3.26Å; Y94-S98 VanDerWaalsContact O-CB 3.28Å; Y94-S98 WeakPolarHBondContact O-CB 3.48Å; Y94-S98 PolarHBondContact O-N 2.7Å; Y94-L183 HydrophobicContact CD2-CD2 4.17Å; Y94-L183 HydrophobicContact CE2-CD2 3.59Å; Y94-V184 PolarHBondContact OH-N 2.89Å; Y94-L399 HydrophobicContact CD2-CD2 4.26Å; Y94-L399 HydrophobicContact CE2-CD2 4.11Å; Y94-L399 HydrophobicContact CE2-CG 4.24Å; Y94-W402 HydrophobicContact CD1-CH2 4.39Å; Y94-W402 AromaticContact CD1-CZ3 3.79Å; Y94-W402 HydrophobicContact CD1-CZ3 3.79Å; Y94-W402 HydrophobicContact CE1-CZ3 4.11Å; Y94-W402 HydrophobicContact CG-CZ3 4.08Å; Y94-A403 HydrophobicContact CE1-CB 3.75Å; Y94-A403 WeakPolarHBondContact OH-CB 3.46Å |
| 95 | E | 91 | Very high | 82.8 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | -179.3 | -69.4 | -151.7 | -129.5 | 0 | 0 | 112 | G91 V92 S98 D99 F109 W402 R406 | G91-E95 PolarHBondContact O-N 3.02Å; V92-E95 PolarHBondContact O-N 3.19Å; E95-S98 PolarHBondContact O-N 2.78Å; E95-D99 WeakPolarHBondContact O-CB 3.25Å; E95-D99 PolarHBondContact O-N 3.02Å; E95-F109 HydrophobicContact CB-CE1 4.14Å; E95-F109 HydrophobicContact CB-CZ 3.9Å; E95-W402 HydrophobicContact CG-CH2 3.93Å; E95-R406 VanDerWaalsContact CD-NE 3.34Å; E95-R406 IonicContact OE2-CZ 2.93Å; E95-R406 VanDerWaalsContact OE2-CZ 3.24Å; E95-R406 IonicContact OE2-NE 2.86Å; E95-R406 PolarHBondContact OE2-NE 3.48Å; E95-R406 IonicContact OE2-NH2 3.62Å; E95-R406 PolarHBondContact OE2-NH2 3.31Å |
| 96 | I | 91 | Very high | 83.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 176.3 | -74.4 | 179.4 | 0 | 0 | 0 | 110.7 | V92 A100 F109 K113 V265 M269 | V92-I96 HydrophobicContact CG1-CD1 3.53Å; V92-I96 HydrophobicContact CG1-CG1 4.06Å; V92-I96 VanDerWaalsContact O-CB 3.25Å; V92-I96 WeakPolarHBondContact O-CB 3.28Å; V92-I96 VanDerWaalsContact O-CG1 3.25Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.3Å; I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.47Å; I96-A100 PolarHBondContact O-N 3.21Å; I96-F109 HydrophobicContact CD1-CB 3.93Å; I96-F109 HydrophobicContact CD1-CD1 3.99Å; I96-F109 HydrophobicContact CD1-CD2 4.32Å; I96-F109 HydrophobicContact CD1-CG 3.85Å; I96-F109 HydrophobicContact CG1-CB 4.17Å; I96-F109 HydrophobicContact CG1-CD1 3.7Å; I96-F109 HydrophobicContact CG1-CD2 3.61Å; I96-F109 HydrophobicContact CG1-CE1 3.88Å; I96-F109 HydrophobicContact CG1-CE2 3.77Å; I96-F109 HydrophobicContact CG1-CG 3.57Å; I96-F109 HydrophobicContact CG1-CZ 3.92Å; I96-K113 HydrophobicContact CD1-CB 3.6Å; I96-K113 HydrophobicContact CD1-CD 4.04Å; I96-K113 HydrophobicContact CD1-CG 4.46Å; I96-V265 HydrophobicContact CG2-CB 4.21Å; I96-V265 HydrophobicContact CG2-CG1 3.28Å; I96-V265 HydrophobicContact CG2-CG2 4.2Å; I96-M269 HydrophobicContact CG2-CE 4.2Å; I96-M269 VanDerWaalsContact O-CE 3.25Å; I96-M269 WeakPolarHBondContact O-CE 3.29Å |
| 97 | F | 92 | Very high | 83.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.4 | -175 | -102.2 | 0 | 0 | 0 | 112.7 | P73 A74 L79 D93 Y94 A100 F101 I118 L121 M122 L183 | P73-F97 HydrophobicContact CG-CE1 4.28Å; P73-F97 HydrophobicContact CG-CZ 4.46Å; A74-F97 HydrophobicContact CB-CD1 4.44Å; A74-F97 HydrophobicContact CB-CE1 3.88Å; A74-F97 HydrophobicContact CB-CZ 4.2Å; L79-F97 HydrophobicContact CD1-CB 3.94Å; L79-F97 HydrophobicContact CD1-CD1 3.47Å; L79-F97 VanDerWaalsContact CD1-CD1 3.47Å; L79-F97 HydrophobicContact CD1-CE1 4.26Å; L79-F97 HydrophobicContact CD1-CG 3.86Å; L79-F97 HydrophobicContact CD2-CB 4.32Å; L79-F97 HydrophobicContact CD2-CG 4.43Å; D93-F97 VanDerWaalsContact O-CB 3.24Å; D93-F97 WeakPolarHBondContact O-CB 3.23Å; D93-F97 PolarHBondContact O-N 2.75Å; D93-F97 VanDerWaalsContact O-N 3.11Å; Y94-F97 PolarHBondContact O-N 3.26Å; F97-A100 PolarHBondContact O-N 2.86Å; F97-F101 HydrophobicContact CE1-CB 4.38Å; F97-F101 HydrophobicContact CE1-CD2 4.14Å; F97-F101 HydrophobicContact CE1-CG 4.46Å; F97-F101 AromaticContact CZ-CD2 3.8Å; F97-F101 HydrophobicContact CZ-CD2 3.8Å; F97-F101 HydrophobicContact CZ-CE2 4.49Å; F97-F101 HydrophobicContact CZ-CG 4.49Å; F97-F101 VanDerWaalsContact O-CB 3.24Å; F97-F101 WeakPolarHBondContact O-CB 3.28Å; F97-F101 PolarHBondContact O-N 3.38Å; F97-I118 HydrophobicContact CD2-CD1 4.23Å; F97-I118 HydrophobicContact CD2-CG1 3.98Å; F97-I118 HydrophobicContact CE2-CD1 4.02Å; F97-I118 HydrophobicContact CE2-CG1 3.78Å; F97-L121 HydrophobicContact CB-CD2 3.94Å; F97-L121 HydrophobicContact CD2-CD2 4Å; F97-L121 HydrophobicContact CG-CD2 4.32Å; F97-M122 HydrophobicContact CE2-CG 3.47Å; F97-M122 VanDerWaalsContact CE2-CG 3.47Å; F97-M122 HydrophobicContact CE2-SD 4.25Å; F97-M122 HydrophobicContact CZ-CG 3.72Å; F97-M122 HydrophobicContact CZ-SD 4.45Å; F97-L183 HydrophobicContact CD1-CD1 3.77Å; F97-L183 HydrophobicContact CE1-CD1 3.56Å |
| 98 | S | 92.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | -179.5 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | Y94 E95 Q102 V184 | Y94-S98 VanDerWaalsContact O-CB 3.28Å; Y94-S98 WeakPolarHBondContact O-CB 3.48Å; Y94-S98 PolarHBondContact O-N 2.7Å; E95-S98 PolarHBondContact O-N 2.78Å; S98-Q102 WeakPolarHBondContact O-CB 3.43Å; S98-Q102 WeakPolarHBondContact O-CG 3.32Å; S98-Q102 PolarHBondContact O-N 3.36Å; S98-Q102 VanDerWaalsContact O-N 3.15Å; S98-Q102 PolarHBondContact O-NE2 2.84Å; S98-Q102 PolarHBondContact OG-NE2 3.39Å; S98-Q102 VanDerWaalsContact OG-NE2 3.1Å; S98-V184 PolarHBondContact OG-O 3.13Å |
| 99 | D | 91.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.9 | -38.4 | 177.7 | -74.6 | -8 | 0 | 0 | 0 | 112 | E95 Q102 G103 R104 M269 R406 R410 | E95-D99 WeakPolarHBondContact O-CB 3.25Å; E95-D99 PolarHBondContact O-N 3.02Å; D99-Q102 CarbonylContact O-C 3.59Å; D99-Q102 PolarHBondContact O-N 3.07Å; D99-G103 PolarHBondContact O-N 3.18Å; D99-G103 VanDerWaalsContact O-N 3.08Å; D99-R104 HydrophobicContact CB-CB 4.2Å; D99-R104 PolarHBondContact O-N 3.45Å; D99-R104 IonicContact OD1-NH1 3.36Å; D99-R104 PolarHBondContact OD1-NH1 3.32Å; D99-R104 VanDerWaalsContact OD1-NH1 3.13Å; D99-M269 HydrophobicContact CB-CE 4Å; D99-R406 IonicContact OD1-CZ 2.8Å; D99-R406 IonicContact OD1-NH1 3.85Å; D99-R406 PolarHBondContact OD1-NH1 2.86Å; D99-R406 IonicContact OD1-NH2 3.2Å; D99-R406 IonicContact OD2-CZ 3.8Å; D99-R406 IonicContact OD2-NH1 3.61Å; D99-R406 IonicContact OD2-NH2 3.05Å; D99-R406 PolarHBondContact OD2-NH2 2.99Å; D99-R410 IonicContact OD1-CZ 2.74Å; D99-R410 IonicContact OD1-NH1 3.62Å; D99-R410 IonicContact OD1-NH2 2.79Å; D99-R410 PolarHBondContact OD1-NH2 2.91Å; D99-R410 IonicContact OD2-CZ 3.07Å; D99-R410 IonicContact OD2-NH1 2.74Å; D99-R410 PolarHBondContact OD2-NH1 2.83Å; D99-R410 IonicContact OD2-NH2 2.81Å; D99-R410 PolarHBondContact OD2-NH2 2.99Å |
| 100 | A | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | I96 F97 Q102 G103 I118 V265 M268 M269 | I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.47Å; I96-A100 PolarHBondContact O-N 3.21Å; F97-A100 PolarHBondContact O-N 2.86Å; A100-Q102 PolarHBondContact O-N 2.91Å; A100-G103 PolarHBondContact O-N 2.97Å; A100-I118 HydrophobicContact CB-CD1 3.93Å; A100-V265 HydrophobicContact CB-CG1 3.73Å; A100-M268 HydrophobicContact CB-CB 4.3Å; A100-M268 HydrophobicContact CB-CG 4.29Å; A100-M268 WeakPolarHBondContact O-CG 3.08Å; A100-M269 HydrophobicContact CB-CE 4.18Å; A100-M269 HydrophobicContact CB-CG 3.87Å |
| 101 | F | 89.6 | Confident | 85.1 | Confident | 32 Ų | 32 | 45 Ų | 45 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -22.6 | 178.3 | -164.1 | -88.6 | 0 | 0 | 0 | 112.6 | P73 F97 M275 | P73-F101 HydrophobicContact CB-CE2 4.01Å; P73-F101 HydrophobicContact CB-CZ 4.39Å; P73-F101 HydrophobicContact CG-CD2 4.29Å; P73-F101 HydrophobicContact CG-CE1 4.49Å; P73-F101 HydrophobicContact CG-CE2 3.67Å; P73-F101 HydrophobicContact CG-CZ 3.8Å; F97-F101 HydrophobicContact CE1-CB 4.38Å; F97-F101 HydrophobicContact CE1-CD2 4.14Å; F97-F101 HydrophobicContact CE1-CG 4.46Å; F97-F101 AromaticContact CZ-CD2 3.8Å; F97-F101 HydrophobicContact CZ-CD2 3.8Å; F97-F101 HydrophobicContact CZ-CE2 4.49Å; F97-F101 HydrophobicContact CZ-CG 4.49Å; F97-F101 VanDerWaalsContact O-CB 3.24Å; F97-F101 WeakPolarHBondContact O-CB 3.28Å; F97-F101 PolarHBondContact O-N 3.38Å; F101-M275 HydrophobicContact CD1-CB 4.03Å; F101-M275 HydrophobicContact CD2-CB 3.69Å; F101-M275 HydrophobicContact CD2-CE 4.29Å; F101-M275 HydrophobicContact CD2-CG 3.93Å; F101-M275 HydrophobicContact CE1-CB 3.91Å; F101-M275 HydrophobicContact CE2-CB 3.57Å; F101-M275 HydrophobicContact CE2-CG 3.48Å; F101-M275 VanDerWaalsContact CE2-CG 3.48Å; F101-M275 HydrophobicContact CG-CB 3.92Å; F101-M275 HydrophobicContact CZ-CB 3.68Å; F101-M275 HydrophobicContact CZ-CG 3.84Å; F101-M275 PolarHBondContact O-N 2.81Å |
| 102 | Q | 89.7 | Confident | 84.7 | Confident | 37 Ų | 37 | 50 Ų | 50 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.6 | 175.2 | -67.3 | -176.2 | 83.1 | 0 | 0 | 114 | S98 D99 A100 R104 P185 E407 | S98-Q102 WeakPolarHBondContact O-CB 3.43Å; S98-Q102 WeakPolarHBondContact O-CG 3.32Å; S98-Q102 PolarHBondContact O-N 3.36Å; S98-Q102 VanDerWaalsContact O-N 3.15Å; S98-Q102 PolarHBondContact O-NE2 2.84Å; S98-Q102 PolarHBondContact OG-NE2 3.39Å; S98-Q102 VanDerWaalsContact OG-NE2 3.1Å; D99-Q102 CarbonylContact O-C 3.59Å; D99-Q102 PolarHBondContact O-N 3.07Å; A100-Q102 PolarHBondContact O-N 2.91Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 HydrophobicContact CB-CG 4.1Å; Q102-R104 PolarHBondContact O-N 3.41Å; Q102-R104 VanDerWaalsContact OE1-CZ 3.25Å; Q102-P185 VanDerWaalsContact CD-CG 3.48Å; Q102-E407 PolarHBondContact NE2-OE2 3.22Å; Q102-E407 PolarHBondContact OE1-OE2 3.22Å |
| 103 | G | 88.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 29.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | D99 A100 G272 L273 | D99-G103 PolarHBondContact O-N 3.18Å; D99-G103 VanDerWaalsContact O-N 3.08Å; A100-G103 PolarHBondContact O-N 2.97Å; G103-G272 WeakPolarHBondContact O-CA 3.35Å; G103-L273 VanDerWaalsContact CA-O 3.3Å; G103-L273 WeakPolarHBondContact CA-O 3.14Å |
| 104 | R | 88.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | trans | -95.8 | 129.5 | -179.8 | -59.3 | -164.1 | -166.7 | 121.1 | -12.3 | 111.1 | D99 Q102 M269 E407 | D99-R104 HydrophobicContact CB-CB 4.2Å; D99-R104 PolarHBondContact O-N 3.45Å; D99-R104 IonicContact OD1-NH1 3.36Å; D99-R104 PolarHBondContact OD1-NH1 3.32Å; D99-R104 VanDerWaalsContact OD1-NH1 3.13Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 HydrophobicContact CB-CG 4.1Å; Q102-R104 PolarHBondContact O-N 3.41Å; Q102-R104 VanDerWaalsContact OE1-CZ 3.25Å; R104-M269 WeakPolarHBondContact O-CG 3.08Å; R104-E407 IonicContact CZ-OE2 2.69Å; R104-E407 VanDerWaalsContact CZ-OE2 3.23Å; R104-E407 IonicContact NH1-OE1 2.83Å; R104-E407 PolarHBondContact NH1-OE1 2.93Å; R104-E407 IonicContact NH1-OE2 2.68Å; R104-E407 PolarHBondContact NH1-OE2 3.06Å; R104-E407 IonicContact NH2-OE2 3.17Å; R104-E407 PolarHBondContact NH2-OE2 3.29Å | ||
| 105 | P | 79.7 | Confident | 83.9 | Confident | 103 Ų | 103 | 52.7 Ų | 52.7 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | trans | -69.3 | 146 | 167.8 | 30.4 | -34.1 | 0 | 0 | 0 | 110.7 | ||||
| 106 | S | 72.3 | Confident | 83.7 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | trans | -148.5 | 121.8 | 170.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | F109 | S106-F109 WeakPolarHBondContact OG-CD2 3.45Å; S106-F109 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 107 | E | 62.3 | Low | 83.7 | Confident | 187 Ų | 187 | 56.8 Ų | 56.8 | 87% | 0.874 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -92 | -8.5 | -169.9 | -59.8 | 177.7 | 159.3 | 0 | 0 | 113.1 | ||
| 108 | N | 74.4 | Confident | 83.6 | Confident | 154 Ų | 154 | 56.8 Ų | 56.8 | 82% | 0.824 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -101.7 | 19.9 | -168.4 | -65.3 | -48.3 | 0 | 0 | 0 | 114.5 | ||
| 109 | F | 79.5 | Confident | 83.4 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -106.7 | 147.8 | -177.6 | -68.5 | -50.7 | 0 | 0 | 0 | 112.6 | V92 E95 I96 S106 E111 L114 M269 | V92-F109 HydrophobicContact CG1-CD1 4.13Å; V92-F109 HydrophobicContact CG1-CE1 4.4Å; E95-F109 HydrophobicContact CB-CE1 4.14Å; E95-F109 HydrophobicContact CB-CZ 3.9Å; I96-F109 HydrophobicContact CD1-CB 3.93Å; I96-F109 HydrophobicContact CD1-CD1 3.99Å; I96-F109 HydrophobicContact CD1-CD2 4.32Å; I96-F109 HydrophobicContact CD1-CG 3.85Å; I96-F109 HydrophobicContact CG1-CB 4.17Å; I96-F109 HydrophobicContact CG1-CD1 3.7Å; I96-F109 HydrophobicContact CG1-CD2 3.61Å; I96-F109 HydrophobicContact CG1-CE1 3.88Å; I96-F109 HydrophobicContact CG1-CE2 3.77Å; I96-F109 HydrophobicContact CG1-CG 3.57Å; I96-F109 HydrophobicContact CG1-CZ 3.92Å; S106-F109 WeakPolarHBondContact OG-CD2 3.45Å; S106-F109 WeakPolarHBondContact OG-CE2 3.35Å; F109-E111 PolarHBondContact O-N 3.11Å; F109-L114 HydrophobicContact CB-CD1 4.16Å; F109-L114 HydrophobicContact CB-CD2 3.99Å; F109-L114 HydrophobicContact CB-CG 4.05Å; F109-L114 HydrophobicContact CD2-CD2 4.32Å; F109-M269 HydrophobicContact CD2-CE 4.22Å; F109-M269 HydrophobicContact CE2-CE 4.14Å |
| 110 | P | 78.2 | Confident | 83.4 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | trans | -60.4 | 129.1 | 176.9 | -22.7 | 33.5 | 0 | 0 | 0 | 112.4 | S112 K113 L114 | P110-S112 PolarHBondContact O-N 2.7Å; P110-S112 VanDerWaalsContact O-N 3.13Å; P110-K113 PolarHBondContact O-N 3.44Å; P110-L114 PolarHBondContact O-N 3.27Å | ||
| 111 | E | 79.5 | Confident | 83.3 | Confident | 171 Ų | 171 | 65.1 Ų | 65.1 | 80% | 0.799 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53 | -37.4 | -179.2 | -61 | -176.7 | 154.8 | 0 | 0 | 112.7 | F109 K113 L114 G115 | F109-E111 PolarHBondContact O-N 3.11Å; E111-K113 PolarHBondContact O-N 3.48Å; E111-L114 PolarHBondContact O-N 3.16Å; E111-L114 VanDerWaalsContact O-N 3.14Å; E111-G115 PolarHBondContact O-N 2.71Å |
| 112 | S | 79.9 | Confident | 83.4 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -27.1 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | P110 | P110-S112 PolarHBondContact O-N 2.7Å; P110-S112 VanDerWaalsContact O-N 3.13Å |
| 113 | K | 81 | Confident | 83.5 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -87.7 | -35.1 | 173.1 | -66.2 | -166.3 | 175.4 | -164.9 | 0 | 112.1 | D89 V92 D93 I96 P110 E111 G115 M116 | D89-K113 WeakPolarHBondContact OD2-CE 3.46Å; D89-K113 IonicContact OD2-NZ 3.01Å; D89-K113 PolarHBondContact OD2-NZ 3.49Å; D89-K113 VanDerWaalsContact OD2-NZ 3.08Å; V92-K113 HydrophobicContact CG1-CD 3.85Å; D93-K113 WeakPolarHBondContact OD1-CE 3.28Å; D93-K113 IonicContact OD1-NZ 3.17Å; D93-K113 PolarHBondContact OD1-NZ 2.87Å; I96-K113 HydrophobicContact CD1-CB 3.6Å; I96-K113 HydrophobicContact CD1-CD 4.04Å; I96-K113 HydrophobicContact CD1-CG 4.46Å; P110-K113 PolarHBondContact O-N 3.44Å; E111-K113 PolarHBondContact O-N 3.48Å; K113-G115 VanDerWaalsContact C-N 3.31Å; K113-G115 PolarHBondContact O-N 3.44Å; K113-M116 WeakPolarHBondContact O-CB 3.38Å; K113-M116 PolarHBondContact O-N 2.96Å |
| 114 | L | 84.3 | Confident | 83.6 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.4 | -67.9 | 177.1 | 0 | 0 | 0 | 112.7 | F109 P110 E111 M116 V265 F266 M269 | F109-L114 HydrophobicContact CB-CD1 4.16Å; F109-L114 HydrophobicContact CB-CD2 3.99Å; F109-L114 HydrophobicContact CB-CG 4.05Å; F109-L114 HydrophobicContact CD2-CD2 4.32Å; P110-L114 PolarHBondContact O-N 3.27Å; E111-L114 PolarHBondContact O-N 3.16Å; E111-L114 VanDerWaalsContact O-N 3.14Å; L114-M116 VanDerWaalsContact C-N 3.25Å; L114-M116 PolarHBondContact O-N 2.93Å; L114-V265 HydrophobicContact CD2-CG1 4.31Å; L114-V265 PolarHBondContact O-N 2.9Å; L114-F266 HydrophobicContact CB-CB 4.26Å; L114-F266 HydrophobicContact CD1-CD2 4.44Å; L114-F266 PolarHBondContact O-N 2.89Å; L114-M269 HydrophobicContact CD2-CE 4.25Å; L114-M269 HydrophobicContact CD2-SD 3.92Å |
| 115 | G | 86 | Confident | 83.9 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E111 K113 | E111-G115 PolarHBondContact O-N 2.71Å; K113-G115 VanDerWaalsContact C-N 3.31Å; K113-G115 PolarHBondContact O-N 3.44Å |
| 116 | M | 86.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -77.5 | 134.9 | 176.7 | -168.2 | 177.9 | -56.5 | 0 | 0 | 111.2 | K113 L114 I118 L121 T264 V265 | K113-M116 WeakPolarHBondContact O-CB 3.38Å; K113-M116 PolarHBondContact O-N 2.96Å; L114-M116 VanDerWaalsContact C-N 3.25Å; L114-M116 PolarHBondContact O-N 2.93Å; M116-I118 PolarHBondContact O-N 2.84Å; M116-L121 HydrophobicContact SD-CB 4.39Å; M116-L121 HydrophobicContact SD-CD1 4.24Å; M116-T264 WeakPolarHBondContact O-CA 3.34Å; M116-V265 PolarHBondContact O-N 2.85Å |
| 117 | P | 91.2 | Very high | 85.8 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 123.7 | 170.5 | -26 | 35.7 | 0 | 0 | 0 | 111.6 | F119 K120 L121 C263 | P117-F119 PolarHBondContact O-N 3.15Å; P117-K120 HydrophobicContact CB-CB 4.31Å; P117-K120 WeakPolarHBondContact O-CB 3.41Å; P117-K120 PolarHBondContact O-N 3.07Å; P117-L121 PolarHBondContact O-N 2.84Å; P117-C263 WeakPolarHBondContact CA-O 3.03Å |
| 118 | I | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -31.8 | -173.4 | -167.6 | 173.6 | 0 | 0 | 0 | 112 | F97 A100 M116 K120 L121 M122 C263 V265 M268 M275 | F97-I118 HydrophobicContact CD2-CD1 4.23Å; F97-I118 HydrophobicContact CD2-CG1 3.98Å; F97-I118 HydrophobicContact CE2-CD1 4.02Å; F97-I118 HydrophobicContact CE2-CG1 3.78Å; A100-I118 HydrophobicContact CB-CD1 3.93Å; M116-I118 PolarHBondContact O-N 2.84Å; I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 2.89Å; I118-L121 PolarHBondContact O-N 2.69Å; I118-M122 HydrophobicContact CG1-SD 4.48Å; I118-M122 WeakPolarHBondContact O-CG 3.1Å; I118-M122 PolarHBondContact O-N 3.33Å; I118-C263 WeakPolarHBondContact CG2-O 3.3Å; I118-C263 PolarHBondContact N-O 3.23Å; I118-V265 HydrophobicContact CB-CG2 4.08Å; I118-V265 HydrophobicContact CG1-CG2 4.23Å; I118-M268 HydrophobicContact CD1-CB 4.17Å; I118-M268 HydrophobicContact CD1-CG 3.86Å; I118-M268 HydrophobicContact CG2-CE 3.94Å; I118-M275 HydrophobicContact CD1-CE 4.36Å |
| 119 | F | 89.2 | Confident | 88.3 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -32.8 | 175.6 | -92.2 | -121.5 | 0 | 0 | 0 | 113.1 | P117 L121 M122 D123 I152 P154 L260 P261 | P117-F119 PolarHBondContact O-N 3.15Å; F119-L121 VanDerWaalsContact C-N 3.35Å; F119-M122 HydrophobicContact CD2-SD 4.22Å; F119-M122 HydrophobicContact CE2-SD 4.32Å; F119-M122 PolarHBondContact O-N 2.72Å; F119-D123 WeakPolarHBondContact O-CB 3.42Å; F119-D123 PolarHBondContact O-N 2.86Å; F119-I152 HydrophobicContact CD1-CB 4.48Å; F119-I152 HydrophobicContact CD1-CG2 3.59Å; F119-I152 HydrophobicContact CE1-CG2 3.83Å; F119-I152 HydrophobicContact CG-CG2 4.4Å; F119-P154 HydrophobicContact CZ-CB 4.32Å; F119-P154 HydrophobicContact CZ-CG 4.08Å; F119-L260 HydrophobicContact CD2-CD2 3.68Å; F119-L260 HydrophobicContact CE1-CD1 4.08Å; F119-L260 HydrophobicContact CE1-CD2 4.48Å; F119-L260 HydrophobicContact CE2-CD1 3.91Å; F119-L260 HydrophobicContact CE2-CD2 3.37Å; F119-L260 HydrophobicContact CE2-CG 4.22Å; F119-L260 HydrophobicContact CG-CD2 4.38Å; F119-L260 HydrophobicContact CZ-CD1 3.48Å; F119-L260 VanDerWaalsContact CZ-CD1 3.48Å; F119-L260 HydrophobicContact CZ-CD2 3.82Å; F119-L260 HydrophobicContact CZ-CG 4.18Å; F119-P261 HydrophobicContact CB-CB 4.44Å |
| 120 | K | 89.8 | Confident | 89 | Confident | 147 Ų | 147 | 49.4 Ų | 49.4 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.8 | -36.1 | 175.9 | -171.8 | 175.1 | -178 | 175.1 | 0 | 111.4 | P117 I118 K124 | P117-K120 HydrophobicContact CB-CB 4.31Å; P117-K120 WeakPolarHBondContact O-CB 3.41Å; P117-K120 PolarHBondContact O-N 3.07Å; I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 2.89Å; K120-K124 WeakPolarHBondContact O-CB 3.43Å; K120-K124 PolarHBondContact O-N 3.44Å |
| 121 | L | 88.8 | Confident | 89.6 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.3 | -42.8 | 174.3 | -165.3 | 64.6 | 0 | 0 | 0 | 111.1 | L79 F97 M116 P117 I118 F119 K124 A125 | L79-L121 HydrophobicContact CD2-CD1 4Å; L79-L121 HydrophobicContact CD2-CD2 3.98Å; L79-L121 HydrophobicContact CD2-CG 3.73Å; F97-L121 HydrophobicContact CB-CD2 3.94Å; F97-L121 HydrophobicContact CD2-CD2 4Å; F97-L121 HydrophobicContact CG-CD2 4.32Å; M116-L121 HydrophobicContact SD-CB 4.39Å; M116-L121 HydrophobicContact SD-CD1 4.24Å; P117-L121 PolarHBondContact O-N 2.84Å; I118-L121 PolarHBondContact O-N 2.69Å; F119-L121 VanDerWaalsContact C-N 3.35Å; L121-K124 PolarHBondContact O-N 3.29Å; L121-A125 WeakPolarHBondContact O-CB 3.05Å; L121-A125 PolarHBondContact O-N 2.93Å |
| 122 | M | 91.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -47.2 | 173.6 | -70.6 | 171.3 | 64.7 | 0 | 0 | 112.2 | F97 I118 F119 K124 A125 S126 L153 | F97-M122 HydrophobicContact CE2-CG 3.47Å; F97-M122 VanDerWaalsContact CE2-CG 3.47Å; F97-M122 HydrophobicContact CE2-SD 4.25Å; F97-M122 HydrophobicContact CZ-CG 3.72Å; F97-M122 HydrophobicContact CZ-SD 4.45Å; I118-M122 HydrophobicContact CG1-SD 4.48Å; I118-M122 WeakPolarHBondContact O-CG 3.1Å; I118-M122 PolarHBondContact O-N 3.33Å; F119-M122 HydrophobicContact CD2-SD 4.22Å; F119-M122 HydrophobicContact CE2-SD 4.32Å; F119-M122 PolarHBondContact O-N 2.72Å; M122-K124 PolarHBondContact O-N 3.23Å; M122-A125 PolarHBondContact O-N 3.18Å; M122-S126 WeakPolarHBondContact O-CA 3.22Å; M122-S126 VanDerWaalsContact O-CB 3.29Å; M122-S126 WeakPolarHBondContact O-CB 3.25Å; M122-S126 PolarHBondContact O-N 3.22Å; M122-L153 WeakPolarHBondContact CE-O 3.35Å |
| 123 | D | 92.4 | Very high | 91 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 179.8 | -179.1 | 56.1 | 0 | 0 | 0 | 112.4 | F119 S126 K150 I152 | F119-D123 WeakPolarHBondContact O-CB 3.42Å; F119-D123 PolarHBondContact O-N 2.86Å; D123-S126 PolarHBondContact O-OG 3.22Å; D123-K150 PolarHBondContact O-NZ 3.36Å; D123-K150 IonicContact OD1-NZ 3.5Å; D123-K150 PolarHBondContact OD1-NZ 3.25Å; D123-I152 HydrophobicContact CB-CD1 4.1Å; D123-I152 HydrophobicContact CB-CG1 4.09Å; D123-I152 WeakPolarHBondContact OD1-CD1 3.41Å |
| 124 | K | 90.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 39.8 Ų | 39.8 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65 | -41.7 | 177.7 | -178.9 | -174.2 | 175.3 | -167.3 | 0 | 112.5 | K120 L121 M122 | K120-K124 WeakPolarHBondContact O-CB 3.43Å; K120-K124 PolarHBondContact O-N 3.44Å; L121-K124 PolarHBondContact O-N 3.29Å; M122-K124 PolarHBondContact O-N 3.23Å |
| 125 | A | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -88.6 | -17.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | A74 R75 L79 L121 M122 | A74-A125 HydrophobicContact CB-CB 3.73Å; R75-A125 WeakPolarHBondContact CB-O 3.05Å; R75-A125 PolarHBondContact N-O 3.4Å; R75-A125 PolarHBondContact NE-O 3.29Å; L79-A125 HydrophobicContact CD2-CB 3.52Å; L79-A125 HydrophobicContact CG-CB 3.82Å; L121-A125 WeakPolarHBondContact O-CB 3.05Å; L121-A125 PolarHBondContact O-N 2.93Å; M122-A125 PolarHBondContact O-N 3.18Å |
| 126 | S | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -48.7 | 151.6 | -176.3 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | R75 M122 D123 Q128 K150 A157 | R75-S126 PolarHBondContact NE-O 2.89Å; R75-S126 PolarHBondContact NH2-O 2.04Å; R75-S126 VanDerWaalsContact NH2-O 3.16Å; M122-S126 WeakPolarHBondContact O-CA 3.22Å; M122-S126 VanDerWaalsContact O-CB 3.29Å; M122-S126 WeakPolarHBondContact O-CB 3.25Å; M122-S126 PolarHBondContact O-N 3.22Å; D123-S126 PolarHBondContact O-OG 3.22Å; S126-Q128 PolarHBondContact O-NE2 2.82Å; S126-Q128 PolarHBondContact OG-NE2 2.83Å; S126-Q128 VanDerWaalsContact OG-NE2 3.09Å; S126-K150 VanDerWaalsContact OG-CE 3.27Å; S126-K150 WeakPolarHBondContact OG-CE 3.49Å; S126-K150 PolarHBondContact OG-NZ 3.07Å; S126-A157 VanDerWaalsContact CB-CB 3.47Å |
| 127 | H | 95.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | trans | -58.1 | 145.4 | 164.9 | -70.2 | -94.2 | 0 | 0 | 0 | 110.2 | N70 N72 R75 M132 Y159 Q178 | N70-H127 HydrophobicContact CB-CB 4.37Å; N70-H127 PolarHBondContact ND2-CD2 2.92Å; N72-H127 PolarHBondContact ND2-NE2 2.99Å; R75-H127 HydrophobicContact CG-CB 4.45Å; H127-M132 HydrophobicContact CB-CE 3.93Å; H127-M132 HydrophobicContact CB-CG 4.18Å; H127-M132 HydrophobicContact CB-SD 3.43Å; H127-M132 WeakPolarHBondContact CB-SD 3.17Å; H127-Y159 PolarHBondContact O-OH 2.89Å; H127-Y159 VanDerWaalsContact O-OH 3.09Å; H127-Q178 PolarHBondContact ND1-OE1 3.16Å | ||
| 128 | Q | 95.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.29 | 19% | 0.186 | S | C | . | . | trans | -105.7 | 130.1 | -176 | -59.7 | -56.2 | -44.3 | 0 | 0 | 110.6 | S126 G130 Q131 M132 Y159 | S126-Q128 PolarHBondContact O-NE2 2.82Å; S126-Q128 PolarHBondContact OG-NE2 2.83Å; S126-Q128 VanDerWaalsContact OG-NE2 3.09Å; Q128-G130 PolarHBondContact O-N 2.98Å; Q128-G130 VanDerWaalsContact O-N 3.14Å; Q128-Q131 HydrophobicContact CB-CG 4.42Å; Q128-Q131 PolarHBondContact O-N 3.27Å; Q128-M132 PolarHBondContact O-N 2.97Å; Q128-M132 VanDerWaalsContact O-N 3.07Å; Q128-Y159 PolarHBondContact OE1-OH 3.04Å | ||
| 129 | I | 95.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.5 | -35.1 | -178.7 | -176.9 | 62.6 | 0 | 0 | 0 | 112.9 | Q131 M132 L133 V145 F148 Y159 | I129-Q131 VanDerWaalsContact C-N 3.26Å; I129-Q131 PolarHBondContact O-N 3.11Å; I129-M132 PolarHBondContact O-N 2.88Å; I129-L133 HydrophobicContact CD1-CB 4.06Å; I129-L133 HydrophobicContact CG1-CB 4.4Å; I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 2.86Å; I129-V145 HydrophobicContact CG2-CG1 3.89Å; I129-F148 HydrophobicContact CD1-CD1 4.29Å; I129-F148 HydrophobicContact CD1-CE1 4.45Å; I129-F148 HydrophobicContact CD1-CG 4.31Å; I129-F148 HydrophobicContact CG1-CB 4.1Å; I129-F148 HydrophobicContact CG1-CD1 4.38Å; I129-F148 HydrophobicContact CG1-CD2 4.08Å; I129-F148 HydrophobicContact CG1-CG 3.93Å; I129-Y159 HydrophobicContact CB-CD1 3.58Å; I129-Y159 HydrophobicContact CB-CD2 3.95Å; I129-Y159 HydrophobicContact CB-CE1 3.65Å; I129-Y159 HydrophobicContact CB-CE2 4.01Å; I129-Y159 HydrophobicContact CB-CG 3.72Å; I129-Y159 HydrophobicContact CD1-CG 4.34Å; I129-Y159 HydrophobicContact CG1-CD1 4.27Å; I129-Y159 HydrophobicContact CG1-CG 4.2Å; I129-Y159 HydrophobicContact CG2-CD1 3.55Å; I129-Y159 HydrophobicContact CG2-CE1 3.35Å; I129-Y159 HydrophobicContact CG2-CG 4.23Å |
| 130 | G | 93.4 | Very high | 92 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.7 | -14.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q128 | Q128-G130 PolarHBondContact O-N 2.98Å; Q128-G130 VanDerWaalsContact O-N 3.14Å |
| 131 | Q | 91.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -93.7 | -35.8 | 169.5 | -62.7 | -171.5 | -49.9 | 0 | 0 | 111.6 | Q128 I129 R134 | Q128-Q131 HydrophobicContact CB-CG 4.42Å; Q128-Q131 PolarHBondContact O-N 3.27Å; I129-Q131 VanDerWaalsContact C-N 3.26Å; I129-Q131 PolarHBondContact O-N 3.11Å; Q131-R134 PolarHBondContact O-NE 2.73Å; Q131-R134 PolarHBondContact O-NH1 2.93Å; Q131-R134 VanDerWaalsContact O-NH1 3.13Å; Q131-R134 PolarHBondContact O-NH2 2.85Å |
| 132 | M | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.3 | -38.3 | -178.7 | -62.4 | -174.9 | -67 | 0 | 0 | 113.2 | N70 H127 Q128 I129 R134 Y159 L175 D176 F192 | N70-M132 HydrophobicContact CB-SD 3.98Å; N70-M132 PolarHBondContact ND2-SD 3.03Å; N70-M132 VanDerWaalsContact ND2-SD 3.38Å; H127-M132 HydrophobicContact CB-CE 3.93Å; H127-M132 HydrophobicContact CB-CG 4.18Å; H127-M132 HydrophobicContact CB-SD 3.43Å; H127-M132 WeakPolarHBondContact CB-SD 3.17Å; Q128-M132 PolarHBondContact O-N 2.97Å; Q128-M132 VanDerWaalsContact O-N 3.07Å; I129-M132 PolarHBondContact O-N 2.88Å; M132-R134 PolarHBondContact O-N 3.37Å; M132-Y159 HydrophobicContact CE-CD2 3.89Å; M132-Y159 HydrophobicContact CE-CE2 3.71Å; M132-L175 CarbonylContact O-C 3.57Å; M132-L175 VanDerWaalsContact O-CA 3.3Å; M132-L175 WeakPolarHBondContact O-CA 3.19Å; M132-D176 WeakPolarHBondContact CA-O 3.37Å; M132-D176 PolarHBondContact O-N 3.39Å; M132-F192 HydrophobicContact CB-CZ 4.35Å; M132-F192 HydrophobicContact SD-CE1 3.63Å; M132-F192 HydrophobicContact SD-CZ 4.13Å |
| 133 | L | 94.1 | Very high | 91.8 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 106.9 | -174.5 | -169.8 | 66.6 | 0 | 0 | 0 | 111 | I129 C136 V145 F148 L173 L175 | I129-L133 HydrophobicContact CD1-CB 4.06Å; I129-L133 HydrophobicContact CG1-CB 4.4Å; I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 2.86Å; L133-C136 HydrophobicContact CD1-CB 3.95Å; L133-C136 HydrophobicContact CD2-CB 4.01Å; L133-C136 HydrophobicContact CG-CB 4.17Å; L133-V145 HydrophobicContact CD2-CG2 4.39Å; L133-F148 HydrophobicContact CD1-CE2 4.43Å; L133-F148 HydrophobicContact CD1-CZ 4.36Å; L133-F148 HydrophobicContact CD2-CD2 4.19Å; L133-F148 HydrophobicContact CD2-CE2 3.58Å; L133-F148 HydrophobicContact CD2-CZ 4.31Å; L133-L173 HydrophobicContact CD1-CD2 4.31Å; L133-L175 HydrophobicContact CD1-CD2 3.74Å |
| 134 | R | 91.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 54 Ų | 54 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -33.1 | 179.4 | -56 | -51.3 | -167.9 | -176.4 | 0.8 | 112.8 | Q131 M132 V174 D176 L643 | Q131-R134 PolarHBondContact O-NE 2.73Å; Q131-R134 PolarHBondContact O-NH1 2.93Å; Q131-R134 VanDerWaalsContact O-NH1 3.13Å; Q131-R134 PolarHBondContact O-NH2 2.85Å; M132-R134 PolarHBondContact O-N 3.37Å; R134-V174 WeakPolarHBondContact CA-O 3.42Å; R134-V174 HydrophobicContact CB-CG1 4.32Å; R134-V174 WeakPolarHBondContact CB-O 3.05Å; R134-V174 PolarHBondContact N-O 2.97Å; R134-D176 HydrophobicContact CG-CB 3.85Å; R134-D176 IonicContact CZ-OD2 2.77Å; R134-D176 VanDerWaalsContact NE-CB 3.29Å; R134-D176 IonicContact NE-OD2 2.66Å; R134-D176 PolarHBondContact NE-OD2 2.94Å; R134-D176 IonicContact NH2-OD2 2.76Å; R134-D176 PolarHBondContact NH2-OD2 3Å; R134-L643 HydrophobicContact CG-CD2 4.01Å |
| 135 | S | 91.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 149 | 169.6 | -152.5 | 0 | 0 | 0 | 0 | 111.2 | V174 | S135-V174 PolarHBondContact N-O 2.8Å; S135-V174 PolarHBondContact O-N 3.49Å |
| 136 | C | 93.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 122.3 | -172.7 | -164 | 0 | 0 | 0 | 0 | 108.8 | L133 C143 | L133-C136 HydrophobicContact CD1-CB 3.95Å; L133-C136 HydrophobicContact CD2-CB 4.01Å; L133-C136 HydrophobicContact CG-CB 4.17Å; C136-C143 VanDerWaalsContact CA-SG 3.53Å; C136-C143 HydrophobicContact CB-CB 4.03Å; C136-C143 WeakPolarHBondContact CB-O 3.48Å; C136-C143 WeakPolarHBondContact CB-SG 3.27Å; C136-C143 PolarHBondContact O-N 3.09Å; C136-C143 VanDerWaalsContact O-N 3.13Å; C136-C143 WeakPolarHBondContact SG-CB 3.16Å; C136-C143 CovalentContact SG-SG 2.02Å; C136-C143 PolarHBondContact SG-SG 3.17Å |
| 137 | K | 92.2 | Very high | 91.4 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.6 | 172.5 | -60.5 | 177.8 | -175.1 | 169.5 | 0 | 111.4 | R141 C143 I171 Q172 | K137-R141 CarbonylContact C-O 3.56Å; K137-R141 VanDerWaalsContact CA-O 3.29Å; K137-R141 WeakPolarHBondContact CA-O 3.35Å; K137-C143 PolarHBondContact N-SG 3.1Å; K137-C143 VanDerWaalsContact N-SG 3.38Å; K137-I171 CarbonylContact O-C 3.14Å; K137-I171 WeakPolarHBondContact O-CA 3.32Å; K137-I171 WeakPolarHBondContact O-CG2 3.31Å; K137-Q172 HydrophobicContact CB-CB 4.29Å; K137-Q172 PolarHBondContact N-O 3.32Å; K137-Q172 PolarHBondContact O-N 2.75Å |
| 138 | V | 90 | Very high | 91.3 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 100 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | Q140 R141 C143 L161 L165 I168 I171 | V138-Q140 PolarHBondContact O-N 2.85Å; V138-R141 PolarHBondContact N-O 3.47Å; V138-R141 PolarHBondContact O-N 3.46Å; V138-C143 HydrophobicContact CG2-CB 4.05Å; V138-L161 HydrophobicContact CG2-CD2 4.24Å; V138-L165 HydrophobicContact CG1-CD2 3.65Å; V138-I168 HydrophobicContact CG1-CB 4.34Å; V138-I168 HydrophobicContact CG1-CD1 3.49Å; V138-I168 VanDerWaalsContact CG1-CD1 3.49Å; V138-I168 HydrophobicContact CG1-CG1 3.91Å; V138-I168 HydrophobicContact CG1-CG2 3.78Å; V138-I171 HydrophobicContact CB-CG1 4.5Å; V138-I171 HydrophobicContact CG1-CD1 4.27Å; V138-I171 HydrophobicContact CG1-CG1 4.31Å; V138-I171 HydrophobicContact CG2-CD1 4.14Å; V138-I171 HydrophobicContact CG2-CG1 4.24Å; V138-I171 HydrophobicContact CG2-CG2 4.32Å |
| 139 | G | 85.8 | Confident | 91.2 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -118.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E170 | G139-E170 PolarHBondContact N-O 2.85Š|
| 140 | Q | 83.8 | Confident | 91.2 | Very high | 197 Ų | 197 | 65.4 Ų | 65.4 | 92% | 0.921 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -5.4 | 176.9 | -57.1 | -61.4 | -19.1 | 0 | 0 | 114 | V138 | V138-Q140 PolarHBondContact O-N 2.85Š|
| 141 | R | 88 | Confident | 91.2 | Very high | 162 Ų | 162 | 64.7 Ų | 64.7 | 61% | 0.611 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 142 | 179.5 | -63 | 178.2 | 179.8 | 160.3 | -0.2 | 110.1 | K137 V138 | K137-R141 CarbonylContact C-O 3.56Å; K137-R141 VanDerWaalsContact CA-O 3.29Å; K137-R141 WeakPolarHBondContact CA-O 3.35Å; V138-R141 PolarHBondContact N-O 3.47Å; V138-R141 PolarHBondContact O-N 3.46Å |
| 142 | H | 89.1 | Confident | 91.2 | Very high | 139 Ų | 139 | 64.3 Ų | 64.3 | 64% | 0.644 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.1 | 165.1 | -76.6 | -80.9 | 0 | 0 | 0 | 110.3 | ||
| 143 | C | 90.4 | Very high | 91 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | trans | -108.9 | 158.9 | 171.4 | 40.6 | 0 | 0 | 0 | 0 | 111.5 | C136 K137 V138 | C136-C143 VanDerWaalsContact CA-SG 3.53Å; C136-C143 HydrophobicContact CB-CB 4.03Å; C136-C143 WeakPolarHBondContact CB-O 3.48Å; C136-C143 WeakPolarHBondContact CB-SG 3.27Å; C136-C143 PolarHBondContact O-N 3.09Å; C136-C143 VanDerWaalsContact O-N 3.13Å; C136-C143 WeakPolarHBondContact SG-CB 3.16Å; C136-C143 CovalentContact SG-SG 2.02Å; C136-C143 PolarHBondContact SG-SG 3.17Å; K137-C143 PolarHBondContact N-SG 3.1Å; K137-C143 VanDerWaalsContact N-SG 3.38Å; V138-C143 HydrophobicContact CG2-CB 4.05Å | ||
| 144 | S | 90 | Very high | 90.6 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | trans | -123.9 | 172.2 | -173.8 | 74.5 | 0 | 0 | 0 | 0 | 111.3 | L146 N147 F148 | S144-L146 PolarHBondContact O-N 3.01Å; S144-L146 PolarHBondContact OG-N 3.23Å; S144-N147 PolarHBondContact N-OD1 3.37Å; S144-N147 WeakPolarHBondContact O-CB 3.12Å; S144-N147 PolarHBondContact O-N 3.05Å; S144-N147 VanDerWaalsContact O-N 3.14Å; S144-N147 PolarHBondContact O-OD1 2.92Å; S144-N147 PolarHBondContact OG-OD1 2.88Å; S144-F148 WeakPolarHBondContact O-CD2 3.39Å | ||
| 145 | V | 91.5 | Very high | 90.2 | Very high | 57 Ų | 57 | 60 Ų | 60 | 35% | 0.345 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -57.4 | -33 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | I129 L133 N147 F148 | I129-V145 HydrophobicContact CG2-CG1 3.89Å; L133-V145 HydrophobicContact CD2-CG2 4.39Å; V145-N147 PolarHBondContact O-N 2.95Å; V145-N147 VanDerWaalsContact O-N 3.13Å; V145-F148 PolarHBondContact O-N 3.02Å; V145-F148 VanDerWaalsContact O-N 3.08Å |
| 146 | L | 91.3 | Very high | 90.2 | Very high | 152 Ų | 152 | 59 Ų | 59 | 80% | 0.796 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -66.6 | -12.6 | -179.6 | -56 | 176 | 0 | 0 | 0 | 113.4 | S144 F148 | S144-L146 PolarHBondContact O-N 3.01Å; S144-L146 PolarHBondContact OG-N 3.23Å; L146-F148 VanDerWaalsContact C-N 3.32Å |
| 147 | N | 91 | Very high | 90.3 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -85.5 | -0.5 | 175.1 | -59.5 | 103.6 | 0 | 0 | 0 | 113.1 | S144 V145 L161 A162 | S144-N147 PolarHBondContact N-OD1 3.37Å; S144-N147 WeakPolarHBondContact O-CB 3.12Å; S144-N147 PolarHBondContact O-N 3.05Å; S144-N147 VanDerWaalsContact O-N 3.14Å; S144-N147 PolarHBondContact O-OD1 2.92Å; S144-N147 PolarHBondContact OG-OD1 2.88Å; V145-N147 PolarHBondContact O-N 2.95Å; V145-N147 VanDerWaalsContact O-N 3.13Å; N147-L161 HydrophobicContact CB-CD1 3.72Å; N147-A162 PolarHBondContact O-N 2.82Å |
| 148 | F | 93.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.1 | -177.3 | -69.6 | -91.6 | 0 | 0 | 0 | 112.4 | I68 I129 L133 S144 V145 L146 Y159 T160 L161 L173 | I68-F148 HydrophobicContact CD1-CE1 3.72Å; I68-F148 HydrophobicContact CD1-CZ 4.31Å; I129-F148 HydrophobicContact CD1-CD1 4.29Å; I129-F148 HydrophobicContact CD1-CE1 4.45Å; I129-F148 HydrophobicContact CD1-CG 4.31Å; I129-F148 HydrophobicContact CG1-CB 4.1Å; I129-F148 HydrophobicContact CG1-CD1 4.38Å; I129-F148 HydrophobicContact CG1-CD2 4.08Å; I129-F148 HydrophobicContact CG1-CG 3.93Å; L133-F148 HydrophobicContact CD1-CE2 4.43Å; L133-F148 HydrophobicContact CD1-CZ 4.36Å; L133-F148 HydrophobicContact CD2-CD2 4.19Å; L133-F148 HydrophobicContact CD2-CE2 3.58Å; L133-F148 HydrophobicContact CD2-CZ 4.31Å; S144-F148 WeakPolarHBondContact O-CD2 3.39Å; V145-F148 PolarHBondContact O-N 3.02Å; V145-F148 VanDerWaalsContact O-N 3.08Å; L146-F148 VanDerWaalsContact C-N 3.32Å; F148-Y159 HydrophobicContact CB-CD1 4.45Å; F148-T160 WeakPolarHBondContact CA-O 3.41Å; F148-L161 HydrophobicContact CD1-CB 4.15Å; F148-L161 HydrophobicContact CD1-CD1 4.48Å; F148-L161 HydrophobicContact CD2-CD1 4.34Å; F148-L161 HydrophobicContact CE1-CB 3.77Å; F148-L161 HydrophobicContact CE1-CD1 4.06Å; F148-L161 HydrophobicContact CE1-CG 4.44Å; F148-L161 HydrophobicContact CE2-CD1 3.9Å; F148-L161 HydrophobicContact CZ-CB 4.28Å; F148-L161 HydrophobicContact CZ-CD1 3.76Å; F148-L161 HydrophobicContact CZ-CG 4.48Å; F148-L173 HydrophobicContact CZ-CD2 4.4Å |
| 149 | T | 94.1 | Very high | 90.8 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.9 | 170.9 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | Y159 T160 | T149-Y159 CarbonylContact O-C 3.6Å; T149-Y159 WeakPolarHBondContact O-CA 3.41Å; T149-T160 PolarHBondContact N-O 2.82Å; T149-T160 PolarHBondContact O-N 2.86Å |
| 150 | K | 94.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.2 | 176.2 | -166 | -174.7 | -169 | -163.2 | 0 | 110.6 | D123 S126 I152 C158 Y159 | D123-K150 PolarHBondContact O-NZ 3.36Å; D123-K150 IonicContact OD1-NZ 3.5Å; D123-K150 PolarHBondContact OD1-NZ 3.25Å; S126-K150 VanDerWaalsContact OG-CE 3.27Å; S126-K150 WeakPolarHBondContact OG-CE 3.49Å; S126-K150 PolarHBondContact OG-NZ 3.07Å; K150-I152 HydrophobicContact CD-CD1 4.39Å; K150-C158 WeakPolarHBondContact CA-O 3.3Å; K150-Y159 HydrophobicContact CB-CD1 4.02Å; K150-Y159 HydrophobicContact CB-CE1 3.67Å; K150-Y159 HydrophobicContact CD-CE1 4.1Å; K150-Y159 WeakPolarHBondContact CE-OH 3.45Å; K150-Y159 HydrophobicContact CG-CD1 4.18Å; K150-Y159 HydrophobicContact CG-CE1 3.57Å |
| 151 | S | 92.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.6 | 165.8 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | A157 C158 | S151-A157 WeakPolarHBondContact O-CA 3.37Å; S151-C158 PolarHBondContact N-O 3.37Å; S151-C158 PolarHBondContact O-N 2.69Å; S151-C158 PolarHBondContact OG-O 3.18Å |
| 152 | I | 92.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.9 | 175.7 | -56.2 | -59.9 | 0 | 0 | 0 | 108.6 | F119 D123 K150 A157 | F119-I152 HydrophobicContact CD1-CB 4.48Å; F119-I152 HydrophobicContact CD1-CG2 3.59Å; F119-I152 HydrophobicContact CE1-CG2 3.83Å; F119-I152 HydrophobicContact CG-CG2 4.4Å; D123-I152 HydrophobicContact CB-CD1 4.1Å; D123-I152 HydrophobicContact CB-CG1 4.09Å; D123-I152 WeakPolarHBondContact OD1-CD1 3.41Å; K150-I152 HydrophobicContact CD-CD1 4.39Å; I152-A157 HydrophobicContact CD1-CB 3.64Å |
| 153 | L | 89.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 163.9 | 179.5 | -73.1 | 71.2 | 0 | 0 | 0 | 108.7 | M122 N155 G156 C158 L203 I207 | M122-L153 WeakPolarHBondContact CE-O 3.35Å; L153-N155 VanDerWaalsContact CB-OD1 3.25Å; L153-N155 WeakPolarHBondContact CB-OD1 3.01Å; L153-N155 PolarHBondContact O-N 2.78Å; L153-G156 PolarHBondContact N-O 2.92Å; L153-G156 PolarHBondContact O-N 2.72Å; L153-G156 VanDerWaalsContact O-O 3.12Å; L153-C158 HydrophobicContact CD1-CB 3.95Å; L153-L203 HydrophobicContact CD1-CD1 4.38Å; L153-L203 HydrophobicContact CD2-CB 3.82Å; L153-I207 HydrophobicContact CD2-CD1 4.07Å; L153-I207 HydrophobicContact CD2-CG1 4.25Å |
| 154 | P | 85.7 | Confident | 89.6 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24 | 174.8 | -26.4 | 34.3 | 0 | 0 | 0 | 114.6 | F119 L260 M275 I279 | F119-P154 HydrophobicContact CZ-CB 4.32Å; F119-P154 HydrophobicContact CZ-CG 4.08Å; P154-L260 HydrophobicContact CG-CD1 4.07Å; P154-M275 HydrophobicContact CB-SD 4.38Å; P154-M275 WeakPolarHBondContact O-CG 3.41Å; P154-I279 HydrophobicContact CB-CD1 4.3Å; P154-I279 HydrophobicContact CB-CG1 4.01Å |
| 155 | N | 84.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.8 | 179.2 | 72.2 | -17.5 | 0 | 0 | 0 | 114.9 | L153 I207 I279 | L153-N155 VanDerWaalsContact CB-OD1 3.25Å; L153-N155 WeakPolarHBondContact CB-OD1 3.01Å; L153-N155 PolarHBondContact O-N 2.78Å; N155-I207 HydrophobicContact CB-CD1 4.37Å; N155-I207 WeakPolarHBondContact ND2-CD1 3.33Å; N155-I279 HydrophobicContact CB-CD1 3.72Å |
| 156 | G | 91.5 | Very high | 88 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.3 | -167.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L153 | L153-G156 PolarHBondContact N-O 2.92Å; L153-G156 PolarHBondContact O-N 2.72Å; L153-G156 VanDerWaalsContact O-O 3.12Å |
| 157 | A | 94.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 136.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S126 S151 I152 Y159 | S126-A157 VanDerWaalsContact CB-CB 3.47Å; S151-A157 WeakPolarHBondContact O-CA 3.37Å; I152-A157 HydrophobicContact CD1-CB 3.64Å; A157-Y159 HydrophobicContact CB-CE2 4.43Å |
| 158 | C | 96.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.6 | 172.7 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | I68 C69 K150 S151 L153 | I68-C158 CarbonylContact O-C 3.56Å; I68-C158 WeakPolarHBondContact O-CA 3.04Å; C69-C158 HydrophobicContact CB-CB 4.03Å; C69-C158 WeakPolarHBondContact CB-SG 3.49Å; C69-C158 WeakPolarHBondContact SG-CB 3.36Å; C69-C158 CovalentContact SG-SG 2.04Å; C69-C158 PolarHBondContact SG-SG 2.86Å; K150-C158 WeakPolarHBondContact CA-O 3.3Å; S151-C158 PolarHBondContact N-O 3.37Å; S151-C158 PolarHBondContact O-N 2.69Å; S151-C158 PolarHBondContact OG-O 3.18Å; L153-C158 HydrophobicContact CD1-CB 3.95Å |
| 159 | Y | 96.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 111 | -179.2 | -70.5 | -81.5 | 0 | 0 | 0 | 110.1 | I68 H127 Q128 I129 M132 F148 T149 K150 A157 | I68-Y159 PolarHBondContact N-O 2.84Å; I68-Y159 PolarHBondContact O-N 2.89Å; H127-Y159 PolarHBondContact O-OH 2.89Å; H127-Y159 VanDerWaalsContact O-OH 3.09Å; Q128-Y159 PolarHBondContact OE1-OH 3.04Å; I129-Y159 HydrophobicContact CB-CD1 3.58Å; I129-Y159 HydrophobicContact CB-CD2 3.95Å; I129-Y159 HydrophobicContact CB-CE1 3.65Å; I129-Y159 HydrophobicContact CB-CE2 4.01Å; I129-Y159 HydrophobicContact CB-CG 3.72Å; I129-Y159 HydrophobicContact CD1-CG 4.34Å; I129-Y159 HydrophobicContact CG1-CD1 4.27Å; I129-Y159 HydrophobicContact CG1-CG 4.2Å; I129-Y159 HydrophobicContact CG2-CD1 3.55Å; I129-Y159 HydrophobicContact CG2-CE1 3.35Å; I129-Y159 HydrophobicContact CG2-CG 4.23Å; M132-Y159 HydrophobicContact CE-CD2 3.89Å; M132-Y159 HydrophobicContact CE-CE2 3.71Å; F148-Y159 HydrophobicContact CB-CD1 4.45Å; T149-Y159 CarbonylContact O-C 3.6Å; T149-Y159 WeakPolarHBondContact O-CA 3.41Å; K150-Y159 HydrophobicContact CB-CD1 4.02Å; K150-Y159 HydrophobicContact CB-CE1 3.67Å; K150-Y159 HydrophobicContact CD-CE1 4.1Å; K150-Y159 WeakPolarHBondContact CE-OH 3.45Å; K150-Y159 HydrophobicContact CG-CD1 4.18Å; K150-Y159 HydrophobicContact CG-CE1 3.57Å; A157-Y159 HydrophobicContact CB-CE2 4.43Å |
| 160 | T | 95.2 | Very high | 85.8 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.5 | -178.3 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | L65 I66 S67 F148 T149 A162 | L65-T160 HydrophobicContact CB-CG2 4.15Å; I66-T160 CarbonylContact O-C 3.53Å; I66-T160 WeakPolarHBondContact O-CA 3.34Å; S67-T160 PolarHBondContact OG-OG1 2.81Å; F148-T160 WeakPolarHBondContact CA-O 3.41Å; T149-T160 PolarHBondContact N-O 2.82Å; T149-T160 PolarHBondContact O-N 2.86Å; T160-A162 PolarHBondContact O-N 2.84Å |
| 161 | L | 92.3 | Very high | 85.7 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 115.4 | 173.4 | -179.9 | 65.4 | 0 | 0 | 0 | 109.8 | I66 V138 N147 F148 I171 | I66-L161 HydrophobicContact CB-CB 4.42Å; I66-L161 HydrophobicContact CD1-CD2 4.16Å; I66-L161 PolarHBondContact O-N 3.49Å; V138-L161 HydrophobicContact CG2-CD2 4.24Å; N147-L161 HydrophobicContact CB-CD1 3.72Å; F148-L161 HydrophobicContact CD1-CB 4.15Å; F148-L161 HydrophobicContact CD1-CD1 4.48Å; F148-L161 HydrophobicContact CD2-CD1 4.34Å; F148-L161 HydrophobicContact CE1-CB 3.77Å; F148-L161 HydrophobicContact CE1-CD1 4.06Å; F148-L161 HydrophobicContact CE1-CG 4.44Å; F148-L161 HydrophobicContact CE2-CD1 3.9Å; F148-L161 HydrophobicContact CZ-CB 4.28Å; F148-L161 HydrophobicContact CZ-CD1 3.76Å; F148-L161 HydrophobicContact CZ-CG 4.48Å; L161-I171 HydrophobicContact CD2-CD1 3.94Å; L161-I171 HydrophobicContact CD2-CG2 4.24Å |
| 162 | A | 77.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | trans | -113.6 | 137.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N147 T160 | N147-A162 PolarHBondContact O-N 2.82Å; T160-A162 PolarHBondContact O-N 2.84Å | ||
| 163 | G | 73.5 | Confident | 85.8 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 165.9 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L165 | G163-L165 PolarHBondContact O-N 2.83Å; G163-L165 VanDerWaalsContact O-N 3.14Å |
| 164 | D | 72.9 | Confident | 86 | Confident | 96 Ų | 96 | 32.8 Ų | 32.8 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | trans | -71.2 | 103.1 | 168.1 | 173.3 | 21.7 | 0 | 0 | 0 | 109.7 | T166 | D164-T166 VanDerWaalsContact OD1-CB 3.29Å; D164-T166 WeakPolarHBondContact OD1-CB 3.29Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.42Å; D164-T166 PolarHBondContact OD1-N 2.89Å; D164-T166 PolarHBondContact OD1-OG1 2.85Å | ||
| 165 | L | 76.3 | Confident | 86.4 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | trans | -100.8 | 17.1 | 176.3 | -55.3 | -176.6 | 0 | 0 | 0 | 112.5 | F63 V138 G163 I168 I171 | F63-L165 HydrophobicContact CB-CB 3.9Å; F63-L165 HydrophobicContact CB-CD1 4.43Å; F63-L165 HydrophobicContact CD1-CD1 3.7Å; F63-L165 HydrophobicContact CE1-CD1 4.44Å; F63-L165 HydrophobicContact CG-CB 4.37Å; F63-L165 HydrophobicContact CG-CD1 4.37Å; V138-L165 HydrophobicContact CG1-CD2 3.65Å; G163-L165 PolarHBondContact O-N 2.83Å; G163-L165 VanDerWaalsContact O-N 3.14Å; L165-I168 PolarHBondContact O-N 2.71Å; L165-I171 HydrophobicContact CD1-CD1 4.22Å; L165-I171 HydrophobicContact CD2-CD1 4.07Å | ||
| 166 | T | 73.2 | Confident | 86.8 | Confident | 109 Ų | 109 | 32.4 Ų | 32.4 | 67% | 0.669 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 138.5 | 178.3 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | D164 I168 | D164-T166 VanDerWaalsContact OD1-CB 3.29Å; D164-T166 WeakPolarHBondContact OD1-CB 3.29Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.42Å; D164-T166 PolarHBondContact OD1-N 2.89Å; D164-T166 PolarHBondContact OD1-OG1 2.85Å; T166-I168 PolarHBondContact O-N 3.07Å |
| 167 | G | 73.1 | Confident | 86.9 | Confident | 73 Ų | 73 | 32.4 Ų | 32.4 | 75% | 0.753 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 13.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 168 | I | 80.9 | Confident | 86.8 | Confident | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | trans | -102 | 135.5 | 176.6 | -71.9 | 135.7 | 0 | 0 | 0 | 110.4 | F63 V138 L165 T166 I171 R652 | F63-I168 WeakPolarHBondContact CD2-O 3.41Å; V138-I168 HydrophobicContact CG1-CB 4.34Å; V138-I168 HydrophobicContact CG1-CD1 3.49Å; V138-I168 VanDerWaalsContact CG1-CD1 3.49Å; V138-I168 HydrophobicContact CG1-CG1 3.91Å; V138-I168 HydrophobicContact CG1-CG2 3.78Å; L165-I168 PolarHBondContact O-N 2.71Å; T166-I168 PolarHBondContact O-N 3.07Å; I168-I171 HydrophobicContact CG2-CG1 4.12Å; I168-R652 PolarHBondContact O-NH2 3.41Å | ||
| 169 | D | 81.1 | Confident | 86.5 | Confident | 81 Ų | 81 | 33.6 Ų | 33.6 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | trans | -116.2 | -21.6 | -172.3 | -69.2 | 25.3 | 0 | 0 | 0 | 112.2 | Q649 L650 R652 | D169-Q649 CarbonylContact O-C 3.6Å; D169-Q649 VanDerWaalsContact O-CA 3.29Å; D169-Q649 WeakPolarHBondContact O-CA 3.16Å; D169-L650 PolarHBondContact O-N 3.33Å; D169-R652 IonicContact OD1-CZ 3.5Å; D169-R652 IonicContact OD1-NH1 3.33Å; D169-R652 PolarHBondContact OD1-NH1 3.22Å; D169-R652 IonicContact OD1-NH2 2.78Å; D169-R652 PolarHBondContact OD1-NH2 3.33Å; D169-R652 IonicContact OD2-NH1 2.72Å; D169-R652 PolarHBondContact OD2-NH1 3.34Å; D169-R652 VanDerWaalsContact OD2-NH1 3.07Å | ||
| 170 | E | 88.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 138.4 | -178.1 | -174.1 | 174.1 | 134.7 | 0 | 0 | 112 | G139 Q172 T647 I648 Q649 | G139-E170 PolarHBondContact N-O 2.85Å; E170-Q172 HydrophobicContact CG-CG 4.37Å; E170-Q172 WeakPolarHBondContact OE1-CG 3.48Å; E170-Q172 PolarHBondContact OE1-NE2 2.84Å; E170-T647 VanDerWaalsContact CD-CG2 3.43Å; E170-T647 HydrophobicContact CG-CG2 3.6Å; E170-T647 WeakPolarHBondContact OE1-CG2 3.46Å; E170-I648 CarbonylContact C-O 3.48Å; E170-I648 WeakPolarHBondContact CA-O 3.46Å; E170-Q649 HydrophobicContact CB-CG 4.17Å; E170-Q649 HydrophobicContact CG-CG 3.87Å; E170-Q649 PolarHBondContact OE2-NE2 3.16Å |
| 171 | I | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.6 | 171.2 | -62 | -173.7 | 0 | 0 | 0 | 108.8 | F63 I66 K137 V138 L161 L165 I168 L173 T647 I648 | F63-I171 HydrophobicContact CD1-CD1 4.07Å; F63-I171 HydrophobicContact CE1-CD1 3.46Å; F63-I171 VanDerWaalsContact CE1-CD1 3.46Å; F63-I171 HydrophobicContact CE1-CG1 4.1Å; F63-I171 HydrophobicContact CE2-CD1 4.49Å; F63-I171 HydrophobicContact CE2-CG1 4.4Å; F63-I171 HydrophobicContact CZ-CB 4.39Å; F63-I171 HydrophobicContact CZ-CD1 3.7Å; F63-I171 HydrophobicContact CZ-CG1 3.78Å; I66-I171 HydrophobicContact CD1-CB 4.23Å; I66-I171 HydrophobicContact CD1-CD1 3.72Å; I66-I171 HydrophobicContact CD1-CG2 4.04Å; K137-I171 CarbonylContact O-C 3.14Å; K137-I171 WeakPolarHBondContact O-CA 3.32Å; K137-I171 WeakPolarHBondContact O-CG2 3.31Å; V138-I171 HydrophobicContact CB-CG1 4.5Å; V138-I171 HydrophobicContact CG1-CD1 4.27Å; V138-I171 HydrophobicContact CG1-CG1 4.31Å; V138-I171 HydrophobicContact CG2-CD1 4.14Å; V138-I171 HydrophobicContact CG2-CG1 4.24Å; V138-I171 HydrophobicContact CG2-CG2 4.32Å; L161-I171 HydrophobicContact CD2-CD1 3.94Å; L161-I171 HydrophobicContact CD2-CG2 4.24Å; L165-I171 HydrophobicContact CD1-CD1 4.22Å; L165-I171 HydrophobicContact CD2-CD1 4.07Å; I168-I171 HydrophobicContact CG2-CG1 4.12Å; I171-L173 HydrophobicContact CG2-CD2 4.36Å; I171-L173 HydrophobicContact CG2-CG 4.24Å; I171-T647 CarbonylContact O-C 3.53Å; I171-T647 WeakPolarHBondContact O-CA 3.36Å; I171-I648 PolarHBondContact N-O 3.27Å; I171-I648 PolarHBondContact O-N 2.86Å |
| 172 | Q | 93.3 | Very high | 86.1 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.9 | 178.6 | -59.5 | -179 | -9 | 0 | 0 | 110.2 | K137 E170 T647 | K137-Q172 HydrophobicContact CB-CB 4.29Å; K137-Q172 PolarHBondContact N-O 3.32Å; K137-Q172 PolarHBondContact O-N 2.75Å; E170-Q172 HydrophobicContact CG-CG 4.37Å; E170-Q172 WeakPolarHBondContact OE1-CG 3.48Å; E170-Q172 PolarHBondContact OE1-NE2 2.84Å; Q172-T647 HydrophobicContact CG-CG2 4.4Å |
| 173 | L | 93.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.3 | -179.6 | -60.5 | 168.6 | 0 | 0 | 0 | 109.7 | I68 L133 F148 I171 L175 V646 I648 | I68-L173 HydrophobicContact CD1-CD1 3.69Å; L133-L173 HydrophobicContact CD1-CD2 4.31Å; F148-L173 HydrophobicContact CZ-CD2 4.4Å; I171-L173 HydrophobicContact CG2-CD2 4.36Å; I171-L173 HydrophobicContact CG2-CG 4.24Å; L173-L175 HydrophobicContact CB-CG 4.5Å; L173-V646 HydrophobicContact CB-CB 4.39Å; L173-V646 PolarHBondContact N-O 3.43Å; L173-V646 PolarHBondContact O-N 3.32Å; L173-I648 HydrophobicContact CD1-CD1 4.27Å |
| 174 | V | 93.3 | Very high | 87.7 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119 | 168.7 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | R134 S135 L643 | R134-V174 WeakPolarHBondContact CA-O 3.42Å; R134-V174 HydrophobicContact CB-CG1 4.32Å; R134-V174 WeakPolarHBondContact CB-O 3.05Å; R134-V174 PolarHBondContact N-O 2.97Å; S135-V174 PolarHBondContact N-O 2.8Å; S135-V174 PolarHBondContact O-N 3.49Å; V174-L643 HydrophobicContact CG1-CB 4.18Å; V174-L643 HydrophobicContact CG1-CD1 3.82Å; V174-L643 HydrophobicContact CG1-CG 4.47Å |
| 175 | L | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.5 | -170.7 | -55.3 | 172 | 0 | 0 | 0 | 110.5 | I68 M132 L133 L173 F192 L643 V644 | I68-L175 HydrophobicContact CD1-CD1 4.45Å; I68-L175 HydrophobicContact CG2-CD1 3.83Å; M132-L175 CarbonylContact O-C 3.57Å; M132-L175 VanDerWaalsContact O-CA 3.3Å; M132-L175 WeakPolarHBondContact O-CA 3.19Å; L133-L175 HydrophobicContact CD1-CD2 3.74Å; L173-L175 HydrophobicContact CB-CG 4.5Å; L175-F192 HydrophobicContact CB-CD2 4.04Å; L175-F192 HydrophobicContact CB-CE1 4.47Å; L175-F192 HydrophobicContact CB-CE2 3.35Å; L175-F192 HydrophobicContact CB-CZ 3.61Å; L175-F192 HydrophobicContact CD1-CD1 4.12Å; L175-F192 HydrophobicContact CD1-CD2 3.71Å; L175-F192 HydrophobicContact CD1-CE1 4.2Å; L175-F192 HydrophobicContact CD1-CE2 3.84Å; L175-F192 HydrophobicContact CD1-CG 3.88Å; L175-F192 HydrophobicContact CD1-CZ 4.08Å; L175-F192 HydrophobicContact CG-CE2 4.23Å; L175-F192 HydrophobicContact CG-CZ 4.38Å; L175-L643 WeakPolarHBondContact O-CA 3.07Å; L175-V644 HydrophobicContact CB-CB 4.42Å; L175-V644 PolarHBondContact N-O 2.04Å; L175-V644 PolarHBondContact O-N 2.04Å |
| 176 | D | 92.8 | Very high | 89 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -96.5 | 117.2 | 165 | -180 | -1.5 | 0 | 0 | 0 | 108.3 | M132 R134 Q178 Y389 L643 | M132-D176 WeakPolarHBondContact CA-O 3.37Å; M132-D176 PolarHBondContact O-N 3.39Å; R134-D176 HydrophobicContact CG-CB 3.85Å; R134-D176 IonicContact CZ-OD2 2.77Å; R134-D176 VanDerWaalsContact NE-CB 3.29Å; R134-D176 IonicContact NE-OD2 2.66Å; R134-D176 PolarHBondContact NE-OD2 2.94Å; R134-D176 IonicContact NH2-OD2 2.76Å; R134-D176 PolarHBondContact NH2-OD2 3Å; D176-Q178 PolarHBondContact O-N 3.05Å; D176-Q178 PolarHBondContact OD1-N 2.71Å; D176-Y389 PolarHBondContact OD2-OH 2.96Å; D176-L643 HydrophobicContact CB-CD2 3.85Å | ||
| 177 | P | 93.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -70.2 | -13.8 | 178.4 | 29.6 | -33.9 | 0 | 0 | 0 | 113.1 | N70 S179 Y182 I190 F192 V644 | N70-P177 PolarHBondContact ND2-O 2.99Å; P177-S179 VanDerWaalsContact C-N 3.35Å; P177-Y182 WeakPolarHBondContact O-CE2 3.48Å; P177-I190 HydrophobicContact CB-CG2 4.22Å; P177-I190 HydrophobicContact CG-CG2 4.15Å; P177-F192 HydrophobicContact CB-CE2 3.92Å; P177-F192 HydrophobicContact CB-CZ 4.25Å; P177-V644 HydrophobicContact CG-CG2 4.32Å | ||
| 178 | Q | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | 54.9 | 47.1 | -173.3 | -54.3 | 178.9 | -78.2 | 0 | 0 | 112.4 | H127 D176 Y180 D181 | H127-Q178 PolarHBondContact ND1-OE1 3.16Å; D176-Q178 PolarHBondContact O-N 3.05Å; D176-Q178 PolarHBondContact OD1-N 2.71Å; Q178-Y180 HydrophobicContact CB-CE1 3.93Å; Q178-Y180 HydrophobicContact CG-CE1 4.32Å; Q178-Y180 PolarHBondContact NE2-OH 3.4Å; Q178-Y180 PolarHBondContact O-N 3Å; Q178-D181 HydrophobicContact CB-CB 4.5Å; Q178-D181 WeakPolarHBondContact O-CB 3.35Å; Q178-D181 PolarHBondContact O-N 3.43Å | ||
| 179 | S | 91.3 | Very high | 90.1 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -57.1 | -22.4 | -174.9 | 58.9 | 0 | 0 | 0 | 0 | 115.2 | P177 D181 Y182 Q400 | P177-S179 VanDerWaalsContact C-N 3.35Å; S179-D181 PolarHBondContact O-N 2.89Å; S179-Y182 PolarHBondContact O-N 3.34Å; S179-Q400 PolarHBondContact O-NE2 3.35Å |
| 180 | Y | 89.4 | Confident | 90.5 | Very high | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -67.4 | -16.7 | 173 | 60.5 | -91.8 | 0 | 0 | 0 | 113.9 | Q178 Y389 E392 I393 G396 Q400 | Q178-Y180 HydrophobicContact CB-CE1 3.93Å; Q178-Y180 HydrophobicContact CG-CE1 4.32Å; Q178-Y180 PolarHBondContact NE2-OH 3.4Å; Q178-Y180 PolarHBondContact O-N 3Å; Y180-Y389 HydrophobicContact CE1-CE2 4.21Å; Y180-E392 HydrophobicContact CE2-CB 3.93Å; Y180-E392 PolarHBondContact OH-OE2 2.91Å; Y180-I393 HydrophobicContact CD1-CG1 3.71Å; Y180-I393 HydrophobicContact CD2-CG1 4.4Å; Y180-I393 HydrophobicContact CE1-CG1 3.92Å; Y180-I393 HydrophobicContact CG-CB 4.37Å; Y180-I393 HydrophobicContact CG-CG1 3.97Å; Y180-G396 CarbonylContact O-C 3.52Å; Y180-G396 WeakPolarHBondContact O-CA 3.48Å; Y180-Q400 PolarHBondContact O-NE2 2.9Å |
| 181 | D | 91.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -109.4 | 10 | -175.3 | -154.4 | 0.8 | 0 | 0 | 0 | 112.1 | R75 G76 T77 Q178 S179 | R75-D181 VanDerWaalsContact CB-OD2 3.27Å; R75-D181 WeakPolarHBondContact CB-OD2 3.37Å; R75-D181 WeakPolarHBondContact CD-OD2 3.4Å; R75-D181 HydrophobicContact CG-CB 4.47Å; R75-D181 WeakPolarHBondContact CG-OD2 3.24Å; G76-D181 PolarHBondContact N-O 3.36Å; G76-D181 PolarHBondContact N-OD1 2.99Å; G76-D181 VanDerWaalsContact N-OD1 3.1Å; T77-D181 VanDerWaalsContact CB-OD1 3.31Å; T77-D181 WeakPolarHBondContact CB-OD1 3.37Å; T77-D181 VanDerWaalsContact CG2-OD1 3.26Å; T77-D181 WeakPolarHBondContact CG2-OD1 3.47Å; T77-D181 PolarHBondContact N-OD1 2.8Å; T77-D181 PolarHBondContact OG1-OD1 3.32Å; T77-D181 PolarHBondContact OG1-OD2 2.96Å; Q178-D181 HydrophobicContact CB-CB 4.5Å; Q178-D181 WeakPolarHBondContact O-CB 3.35Å; Q178-D181 PolarHBondContact O-N 3.43Å; S179-D181 PolarHBondContact O-N 2.89Å |
| 182 | Y | 94 | Very high | 91 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | trans | -71.4 | 146.9 | 178.2 | -86.2 | -146.5 | 0 | 0 | 0 | 112 | N70 N72 P177 S179 F189 I190 G191 Q400 | N70-Y182 WeakPolarHBondContact OD1-CE2 3.14Å; N70-Y182 VanDerWaalsContact OD1-CZ 3.31Å; N70-Y182 PolarHBondContact OD1-OH 3.19Å; N72-Y182 HydrophobicContact CB-CD1 3.86Å; N72-Y182 HydrophobicContact CB-CD2 3.42Å; N72-Y182 VanDerWaalsContact CB-CD2 3.42Å; N72-Y182 HydrophobicContact CB-CE1 3.83Å; N72-Y182 HydrophobicContact CB-CE2 3.38Å; N72-Y182 HydrophobicContact CB-CG 3.66Å; P177-Y182 WeakPolarHBondContact O-CE2 3.48Å; S179-Y182 PolarHBondContact O-N 3.34Å; Y182-F189 WeakPolarHBondContact CE1-O 3.35Å; Y182-I190 HydrophobicContact CD1-CG1 4.23Å; Y182-I190 HydrophobicContact CE1-CB 4.19Å; Y182-I190 HydrophobicContact CE1-CG1 3.96Å; Y182-I190 HydrophobicContact CE1-CG2 4.23Å; Y182-G191 PolarHBondContact OH-N 3.18Å; Y182-G191 VanDerWaalsContact OH-N 3.09Å; Y182-G191 PolarHBondContact OH-O 2.94Å; Y182-Q400 WeakPolarHBondContact O-CG 3.44Å; Y182-Q400 PolarHBondContact O-NE2 3.16Å | ||
| 183 | L | 93.6 | Very high | 91 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | trans | -71.5 | 157.6 | 175.4 | -56.2 | -179 | 0 | 0 | 0 | 112.1 | N72 P73 A74 L79 Y94 F97 N186 | N72-L183 WeakPolarHBondContact OD1-CG 3.48Å; N72-L183 PolarHBondContact OD1-N 3.12Å; P73-L183 HydrophobicContact CG-CD1 4.23Å; A74-L183 HydrophobicContact CB-CD1 4.42Å; A74-L183 WeakPolarHBondContact O-CD2 3.43Å; A74-L183 VanDerWaalsContact O-CG 3.29Å; A74-L183 WeakPolarHBondContact O-CG 3.44Å; L79-L183 HydrophobicContact CD1-CD1 4.35Å; L79-L183 HydrophobicContact CD1-CD2 3.92Å; Y94-L183 HydrophobicContact CD2-CD2 4.17Å; Y94-L183 HydrophobicContact CE2-CD2 3.59Å; F97-L183 HydrophobicContact CD1-CD1 3.77Å; F97-L183 HydrophobicContact CE1-CD1 3.56Å; L183-N186 PolarHBondContact O-ND2 3.13Å | ||
| 184 | V | 91.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -124.7 | 130.1 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | Y94 S98 Q400 A403 F404 | Y94-V184 PolarHBondContact OH-N 2.89Å; S98-V184 PolarHBondContact OG-O 3.13Å; V184-Q400 HydrophobicContact CG2-CB 4.14Å; V184-Q400 HydrophobicContact CG2-CG 4.15Å; V184-A403 HydrophobicContact CB-CB 3.83Å; V184-A403 HydrophobicContact CG2-CB 4.3Å; V184-F404 HydrophobicContact CG1-CB 4.24Å |
| 185 | P | 89.3 | Confident | 91.1 | Very high | 58 Ų | 58 | 28 Ų | 28 | 38% | 0.377 | 16% | 0.158 | S | C | . | . | S | Bend | cis | -77.9 | 156 | -0.8 | 34 | -26.3 | 0 | 0 | 0 | 111 | Q102 E407 | Q102-P185 VanDerWaalsContact CD-CG 3.48Å; P185-E407 WeakPolarHBondContact CD-OE2 3.34Å |
| 186 | N | 86.2 | Confident | 90.9 | Very high | 73 Ų | 73 | 29 Ų | 29 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | trans | -130.5 | 164.6 | 168.3 | 61.8 | 70.2 | 0 | 0 | 0 | 109 | L183 G188 | L183-N186 PolarHBondContact O-ND2 3.13Å; N186-G188 PolarHBondContact O-N 3.45Å; N186-G188 WeakPolarHBondContact OD1-CA 3.26Å; N186-G188 PolarHBondContact OD1-N 2.96Å | ||
| 187 | Q | 81.8 | Confident | 90.8 | Very high | 103 Ų | 103 | 29.3 Ų | 29.3 | 48% | 0.481 | 17% | 0.165 | S | C | . | . | trans | -75.8 | 17.7 | -177.2 | -66.5 | 176.2 | -48.7 | 0 | 0 | 113.6 | F189 N276 | Q187-F189 HydrophobicContact CB-CD2 3.62Å; Q187-F189 HydrophobicContact CB-CE2 3.89Å; Q187-F189 PolarHBondContact O-N 3.38Å; Q187-F189 VanDerWaalsContact O-N 3.14Å; Q187-N276 PolarHBondContact NE2-ND2 3.15Å; Q187-N276 PolarHBondContact OE1-ND2 2.87Å | ||
| 188 | G | 81.4 | Confident | 90.5 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 61% | 0.608 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 74.2 | -8.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N186 | N186-G188 PolarHBondContact O-N 3.45Å; N186-G188 WeakPolarHBondContact OD1-CA 3.26Å; N186-G188 PolarHBondContact OD1-N 2.96Å |
| 189 | F | 86.4 | Confident | 90.1 | Very high | 114 Ų | 114 | 36.8 Ų | 36.8 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | trans | -78.7 | 128.8 | 178.1 | -58.7 | -57.4 | 0 | 0 | 0 | 111.8 | I71 Y182 Q187 | I71-F189 HydrophobicContact CD1-CB 4.21Å; I71-F189 HydrophobicContact CG2-CB 3.88Å; Y182-F189 WeakPolarHBondContact CE1-O 3.35Å; Q187-F189 HydrophobicContact CB-CD2 3.62Å; Q187-F189 HydrophobicContact CB-CE2 3.89Å; Q187-F189 PolarHBondContact O-N 3.38Å; Q187-F189 VanDerWaalsContact O-N 3.14Å | ||
| 190 | I | 91.4 | Very high | 89.8 | Confident | 62 Ų | 62 | 37.3 Ų | 37.3 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | trans | -124.5 | 135.1 | 175 | -60.8 | 171.9 | 0 | 0 | 0 | 109 | P177 Y182 P215 | P177-I190 HydrophobicContact CB-CG2 4.22Å; P177-I190 HydrophobicContact CG-CG2 4.15Å; Y182-I190 HydrophobicContact CD1-CG1 4.23Å; Y182-I190 HydrophobicContact CE1-CB 4.19Å; Y182-I190 HydrophobicContact CE1-CG1 3.96Å; Y182-I190 HydrophobicContact CE1-CG2 4.23Å; I190-P215 HydrophobicContact CB-CG 4.28Å; I190-P215 HydrophobicContact CG2-CG 3.94Å; I190-P215 WeakPolarHBondContact O-CD 3.39Å | ||
| 191 | G | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 131.5 | -143.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N70 I71 Y182 A213 | N70-G191 PolarHBondContact OD1-O 3.31Å; I71-G191 WeakPolarHBondContact CG1-O 3.46Å; I71-G191 PolarHBondContact N-O 3.22Å; I71-G191 VanDerWaalsContact N-O 3.08Å; Y182-G191 PolarHBondContact OH-N 3.18Å; Y182-G191 VanDerWaalsContact OH-N 3.09Å; Y182-G191 PolarHBondContact OH-O 2.94Å; G191-A213 WeakPolarHBondContact CA-O 3.33Å |
| 192 | F | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.3 | -172.6 | -62.9 | -87.1 | 0 | 0 | 0 | 112.7 | I68 C69 N70 M132 L175 P177 I194 Y212 A213 V644 | I68-F192 HydrophobicContact CG2-CB 4.29Å; I68-F192 HydrophobicContact CG2-CD1 3.6Å; I68-F192 HydrophobicContact CG2-CE1 4.26Å; I68-F192 HydrophobicContact CG2-CG 4.14Å; C69-F192 CarbonylContact O-C 3.59Å; C69-F192 VanDerWaalsContact O-CA 3.29Å; C69-F192 WeakPolarHBondContact O-CA 3.31Å; N70-F192 HydrophobicContact CB-CD1 4.43Å; N70-F192 HydrophobicContact CB-CE1 4.27Å; M132-F192 HydrophobicContact CB-CZ 4.35Å; M132-F192 HydrophobicContact SD-CE1 3.63Å; M132-F192 HydrophobicContact SD-CZ 4.13Å; L175-F192 HydrophobicContact CB-CD2 4.04Å; L175-F192 HydrophobicContact CB-CE1 4.47Å; L175-F192 HydrophobicContact CB-CE2 3.35Å; L175-F192 HydrophobicContact CB-CZ 3.61Å; L175-F192 HydrophobicContact CD1-CD1 4.12Å; L175-F192 HydrophobicContact CD1-CD2 3.71Å; L175-F192 HydrophobicContact CD1-CE1 4.2Å; L175-F192 HydrophobicContact CD1-CE2 3.84Å; L175-F192 HydrophobicContact CD1-CG 3.88Å; L175-F192 HydrophobicContact CD1-CZ 4.08Å; L175-F192 HydrophobicContact CG-CE2 4.23Å; L175-F192 HydrophobicContact CG-CZ 4.38Å; P177-F192 HydrophobicContact CB-CE2 3.92Å; P177-F192 HydrophobicContact CB-CZ 4.25Å; F192-I194 HydrophobicContact CB-CG1 4.35Å; F192-Y212 WeakPolarHBondContact O-CA 3.32Å; F192-A213 PolarHBondContact N-O 3.1Å; F192-A213 PolarHBondContact O-N 2.92Å; F192-V644 HydrophobicContact CD2-CB 4.09Å; F192-V644 HydrophobicContact CD2-CG1 4.24Å; F192-V644 HydrophobicContact CD2-CG2 3.87Å; F192-V644 HydrophobicContact CE2-CB 4.19Å; F192-V644 HydrophobicContact CE2-CG2 3.91Å |
| 193 | R | 94.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.1 | 159.8 | -62.1 | -178.3 | -179.3 | 110.3 | -4 | 108 | C69 I71 A210 Y212 | C69-R193 HydrophobicContact CB-CB 4.3Å; C69-R193 PolarHBondContact N-O 3.18Å; C69-R193 PolarHBondContact O-N 3.2Å; I71-R193 HydrophobicContact CG1-CG 4.12Å; R193-A210 HydrophobicContact CB-CB 4.05Å; R193-Y212 HydrophobicContact CG-CD1 4.28Å; R193-Y212 HydrophobicContact CG-CE1 3.79Å; R193-Y212 HydrophobicContact CG-CE2 4.47Å; R193-Y212 PolarHBondContact NE-OH 2.85Å |
| 194 | I | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.7 | -178.4 | -53 | -175.9 | 0 | 0 | 0 | 108.8 | I66 S67 F192 A210 V211 A213 L221 V646 I648 | I66-I194 HydrophobicContact CG2-CG2 4.07Å; S67-I194 WeakPolarHBondContact O-CA 3.31Å; F192-I194 HydrophobicContact CB-CG1 4.35Å; I194-A210 WeakPolarHBondContact O-CA 3.42Å; I194-V211 PolarHBondContact N-O 3.27Å; I194-V211 PolarHBondContact O-N 2.83Å; I194-A213 HydrophobicContact CD1-CB 3.63Å; I194-A213 HydrophobicContact CG1-CB 4.33Å; I194-L221 HydrophobicContact CB-CD1 4.43Å; I194-L221 HydrophobicContact CG2-CD1 4.02Å; I194-V646 HydrophobicContact CD1-CB 4.32Å; I194-V646 HydrophobicContact CD1-CG1 3.75Å; I194-V646 HydrophobicContact CD1-CG2 3.75Å; I194-I648 HydrophobicContact CG2-CD1 4.33Å |
| 195 | L | 93.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.7 | -179.9 | -52 | 87.9 | 0 | 0 | 0 | 109.1 | I66 S67 C69 L206 A210 | I66-L195 WeakPolarHBondContact CA-O 3.42Å; S67-L195 PolarHBondContact N-O 2.76Å; S67-L195 PolarHBondContact O-N 3.36Å; C69-L195 VanDerWaalsContact SG-CD1 3.53Å; L195-L206 HydrophobicContact CD2-CB 3.84Å; L195-A210 HydrophobicContact CD1-CB 4.3Å; L195-A210 HydrophobicContact CD2-CB 4.41Å; L195-A210 HydrophobicContact CG-CB 3.84Å |
| 196 | L | 91.5 | Very high | 88.4 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.6 | 173.2 | -59 | -171.5 | 0 | 0 | 0 | 108.5 | P64 L65 I66 A223 V300 I648 | P64-L196 HydrophobicContact CB-CB 4Å; P64-L196 HydrophobicContact CG-CB 4.34Å; P64-L196 HydrophobicContact CG-CD1 4.37Å; P64-L196 HydrophobicContact CG-CD2 4.41Å; L65-L196 WeakPolarHBondContact O-CA 3.41Å; I66-L196 HydrophobicContact CB-CD2 4.26Å; I66-L196 HydrophobicContact CG1-CD2 3.66Å; I66-L196 HydrophobicContact CG2-CD2 4.26Å; L196-A223 HydrophobicContact CD1-CB 3.88Å; L196-V300 HydrophobicContact CD1-CG1 4.4Å; L196-V300 HydrophobicContact CD1-CG2 3.87Å; L196-I648 HydrophobicContact CD1-CG2 4.11Å; L196-I648 HydrophobicContact CD2-CD1 4.33Å; L196-I648 HydrophobicContact CD2-CG2 4.2Å |
| 197 | H | 90.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 164.8 | -167.6 | 66.8 | 96.5 | 0 | 0 | 0 | 113.5 | L65 S67 D201 L203 L206 | L65-H197 WeakPolarHBondContact CB-CE1 3.43Å; L65-H197 WeakPolarHBondContact CB-NE2 3.42Å; L65-H197 PolarHBondContact N-O 3.47Å; L65-H197 PolarHBondContact O-CD2 2.82Å; L65-H197 VanDerWaalsContact O-CD2 3.24Å; L65-H197 PolarHBondContact O-N 3.44Å; S67-H197 PolarHBondContact OG-NE2 2.99Å; H197-D201 HydrophobicContact CB-CB 4.11Å; H197-L203 WeakPolarHBondContact NE2-CD2 3.47Å; H197-L206 HydrophobicContact CB-CD1 3.41Å; H197-L206 VanDerWaalsContact CB-CD1 3.41Å |
| 198 | G | 86.5 | Confident | 88.5 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | trans | -82.6 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D201 | G198-D201 WeakPolarHBondContact CA-OD2 3.42Å; G198-D201 PolarHBondContact N-OD2 2.88Å | ||
| 199 | Y | 84 | Confident | 88.7 | Confident | 152 Ų | 152 | 38.4 Ų | 38.4 | 60% | 0.596 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 125.7 | 171.8 | -76.4 | -94.3 | 0 | 0 | 0 | 110.2 | L65 | L65-Y199 HydrophobicContact CD1-CD1 3.86Å; L65-Y199 HydrophobicContact CD1-CD2 4.2Å; L65-Y199 HydrophobicContact CD1-CE1 3.97Å; L65-Y199 HydrophobicContact CD1-CE2 4.3Å; L65-Y199 HydrophobicContact CD1-CG 3.99Å; L65-Y199 HydrophobicContact CD2-CE1 4.12Å; L65-Y199 HydrophobicContact CD2-CE2 4.16Å; L65-Y199 HydrophobicContact CG-CD2 4.35Å; L65-Y199 HydrophobicContact CG-CE1 4.39Å; L65-Y199 HydrophobicContact CG-CE2 4.09Å |
| 200 | G | 83.7 | Confident | 88.9 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 47% | 0.474 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 11.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q237 | G200-Q237 VanDerWaalsContact C-NE2 3.32Å; G200-Q237 PolarHBondContact O-NE2 3.13Å |
| 201 | D | 86.8 | Confident | 89 | Confident | 38 Ų | 38 | 32 Ų | 32 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | trans | -76.1 | 140.8 | 171.6 | -75.3 | -15.7 | 0 | 0 | 0 | 111.9 | H197 G198 L203 L206 Q237 | H197-D201 HydrophobicContact CB-CB 4.11Å; G198-D201 WeakPolarHBondContact CA-OD2 3.42Å; G198-D201 PolarHBondContact N-OD2 2.88Å; D201-L203 PolarHBondContact O-N 2.74Å; D201-L206 HydrophobicContact CB-CD1 3.96Å; D201-Q237 PolarHBondContact OD1-NE2 3.04Å; D201-Q237 VanDerWaalsContact OD1-NE2 3.1Å | ||
| 202 | S | 86.7 | Confident | 89 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | trans | -75.6 | 109.1 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | W204 G205 L206 | S202-W204 VanDerWaalsContact C-N 3.3Å; S202-W204 PolarHBondContact O-N 3.02Å; S202-G205 WeakPolarHBondContact O-CA 3.33Å; S202-G205 PolarHBondContact O-N 2.87Å; S202-L206 PolarHBondContact O-N 2.94Å | ||
| 203 | L | 89.2 | Confident | 88.9 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -36.6 | -176.7 | -62.6 | 179.9 | 0 | 0 | 0 | 113.4 | S67 L153 H197 D201 G205 L206 I207 | S67-L203 WeakPolarHBondContact OG-CD2 3.32Å; L153-L203 HydrophobicContact CD1-CD1 4.38Å; L153-L203 HydrophobicContact CD2-CB 3.82Å; H197-L203 WeakPolarHBondContact NE2-CD2 3.47Å; D201-L203 PolarHBondContact O-N 2.74Å; L203-G205 VanDerWaalsContact C-N 3.28Å; L203-G205 PolarHBondContact O-N 3.49Å; L203-L206 PolarHBondContact O-N 2.99Å; L203-L206 VanDerWaalsContact O-N 3.13Å; L203-I207 PolarHBondContact O-N 2.93Å |
| 204 | W | 87 | Confident | 88.7 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 172.8 | 157.2 | 81.8 | 0 | 0 | 0 | 111.1 | S202 L206 I207 M244 M248 M251 L282 P284 | S202-W204 VanDerWaalsContact C-N 3.3Å; S202-W204 PolarHBondContact O-N 3.02Å; W204-L206 PolarHBondContact O-N 2.88Å; W204-L206 VanDerWaalsContact O-N 3.13Å; W204-I207 HydrophobicContact CB-CD1 4.39Å; W204-I207 PolarHBondContact O-N 2.88Å; W204-M244 HydrophobicContact CZ3-CE 4.13Å; W204-M244 WeakPolarHBondContact CZ3-O 3.3Å; W204-M248 HydrophobicContact CB-SD 4.17Å; W204-M248 HydrophobicContact CD2-CB 4.24Å; W204-M248 HydrophobicContact CD2-CG 3.88Å; W204-M248 HydrophobicContact CD2-SD 3.7Å; W204-M248 HydrophobicContact CE3-CB 4.07Å; W204-M248 HydrophobicContact CE3-CG 4.22Å; W204-M248 HydrophobicContact CE3-SD 4.15Å; W204-M248 HydrophobicContact CG-CG 4.39Å; W204-M248 HydrophobicContact CG-SD 3.68Å; W204-M248 HydrophobicContact CH2-CB 3.79Å; W204-M248 HydrophobicContact CH2-CG 4.22Å; W204-M248 HydrophobicContact CZ2-CB 3.96Å; W204-M248 HydrophobicContact CZ2-CG 3.87Å; W204-M248 HydrophobicContact CZ3-CB 3.85Å; W204-M248 HydrophobicContact CZ3-CG 4.38Å; W204-M251 HydrophobicContact CH2-CE 3.64Å; W204-M251 HydrophobicContact CZ2-CE 3.68Å; W204-L282 HydrophobicContact CZ2-CB 4.11Å; W204-L282 WeakPolarHBondContact CZ2-O 3.25Å; W204-P284 HydrophobicContact CH2-CB 4.24Å; W204-P284 HydrophobicContact CH2-CG 4.08Å; W204-P284 HydrophobicContact CZ2-CG 4.18Å; W204-P284 HydrophobicContact CZ3-CB 4.41Å; W204-P284 HydrophobicContact CZ3-CG 4.3Å |
| 205 | G | 84.5 | Confident | 88.5 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -24 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S202 L203 | S202-G205 WeakPolarHBondContact O-CA 3.33Å; S202-G205 PolarHBondContact O-N 2.87Å; L203-G205 VanDerWaalsContact C-N 3.28Å; L203-G205 PolarHBondContact O-N 3.49Å |
| 206 | L | 86.2 | Confident | 87.9 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -101.8 | -4.3 | -177.4 | -62.4 | 178.8 | 0 | 0 | 0 | 114 | L195 H197 D201 S202 L203 W204 P208 T209 A210 | L195-L206 HydrophobicContact CD2-CB 3.84Å; H197-L206 HydrophobicContact CB-CD1 3.41Å; H197-L206 VanDerWaalsContact CB-CD1 3.41Å; D201-L206 HydrophobicContact CB-CD1 3.96Å; S202-L206 PolarHBondContact O-N 2.94Å; L203-L206 PolarHBondContact O-N 2.99Å; L203-L206 VanDerWaalsContact O-N 3.13Å; W204-L206 PolarHBondContact O-N 2.88Å; W204-L206 VanDerWaalsContact O-N 3.13Å; L206-P208 VanDerWaalsContact C-CD 3.42Å; L206-P208 VanDerWaalsContact C-N 3.31Å; L206-T209 WeakPolarHBondContact O-CA 3.14Å; L206-T209 PolarHBondContact O-N 3.47Å; L206-T209 PolarHBondContact O-OG1 3.49Å; L206-A210 PolarHBondContact O-N 2.84Å |
| 207 | I | 85.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.077 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -50.7 | -43.6 | 175.6 | -65.2 | 168 | 0 | 0 | 0 | 112.4 | L153 N155 L203 W204 T209 A210 | L153-I207 HydrophobicContact CD2-CD1 4.07Å; L153-I207 HydrophobicContact CD2-CG1 4.25Å; N155-I207 HydrophobicContact CB-CD1 4.37Å; N155-I207 WeakPolarHBondContact ND2-CD1 3.33Å; L203-I207 PolarHBondContact O-N 2.93Å; W204-I207 HydrophobicContact CB-CD1 4.39Å; W204-I207 PolarHBondContact O-N 2.88Å; I207-T209 PolarHBondContact O-N 3.17Å; I207-A210 WeakPolarHBondContact O-CB 3.34Å; I207-A210 PolarHBondContact O-N 2.74Å |
| 208 | P | 84.9 | Confident | 87.6 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 65% | 0.649 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -64.9 | -18.1 | 178.6 | -22.5 | 35.4 | 0 | 0 | 0 | 114.5 | L206 | L206-P208 VanDerWaalsContact C-CD 3.42Å; L206-P208 VanDerWaalsContact C-N 3.31Å |
| 209 | T | 86.2 | Confident | 87.9 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -99 | 2 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L206 I207 | L206-T209 WeakPolarHBondContact O-CA 3.14Å; L206-T209 PolarHBondContact O-N 3.47Å; L206-T209 PolarHBondContact O-OG1 3.49Å; I207-T209 PolarHBondContact O-N 3.17Å |
| 210 | A | 91.1 | Very high | 88.3 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 134.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R193 I194 L195 L206 I207 Y212 | R193-A210 HydrophobicContact CB-CB 4.05Å; I194-A210 WeakPolarHBondContact O-CA 3.42Å; L195-A210 HydrophobicContact CD1-CB 4.3Å; L195-A210 HydrophobicContact CD2-CB 4.41Å; L195-A210 HydrophobicContact CG-CB 3.84Å; L206-A210 PolarHBondContact O-N 2.84Å; I207-A210 WeakPolarHBondContact O-CB 3.34Å; I207-A210 PolarHBondContact O-N 2.74Å; A210-Y212 WeakPolarHBondContact O-CD2 3.35Å |
| 211 | V | 93.2 | Very high | 88.8 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.3 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | I194 L221 V300 | I194-V211 PolarHBondContact N-O 3.27Å; I194-V211 PolarHBondContact O-N 2.83Å; V211-L221 HydrophobicContact CB-CD1 4.36Å; V211-L221 HydrophobicContact CB-CD2 4.18Å; V211-L221 HydrophobicContact CG1-CD2 3.68Å; V211-L221 HydrophobicContact CG2-CD2 4.3Å; V211-V300 HydrophobicContact CG2-CG1 4.26Å |
| 212 | Y | 93.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 39.7 Ų | 39.7 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121 | -179.9 | -74 | -107.6 | 0 | 0 | 0 | 110.3 | I71 F192 R193 A210 | I71-Y212 HydrophobicContact CD1-CD1 3.73Å; I71-Y212 HydrophobicContact CD1-CE1 4.17Å; I71-Y212 HydrophobicContact CG1-CD1 4.34Å; I71-Y212 HydrophobicContact CG1-CE1 4.39Å; F192-Y212 WeakPolarHBondContact O-CA 3.32Å; R193-Y212 HydrophobicContact CG-CD1 4.28Å; R193-Y212 HydrophobicContact CG-CE1 3.79Å; R193-Y212 HydrophobicContact CG-CE2 4.47Å; R193-Y212 PolarHBondContact NE-OH 2.85Å; A210-Y212 WeakPolarHBondContact O-CD2 3.35Å |
| 213 | A | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G191 F192 I194 V644 V646 | G191-A213 WeakPolarHBondContact CA-O 3.33Å; F192-A213 PolarHBondContact N-O 3.1Å; F192-A213 PolarHBondContact O-N 2.92Å; I194-A213 HydrophobicContact CD1-CB 3.63Å; I194-A213 HydrophobicContact CG1-CB 4.33Å; A213-V644 HydrophobicContact CB-CG1 3.74Å; A213-V646 HydrophobicContact CB-CG2 4.01Å |
| 214 | G | 91.7 | Very high | 88.5 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | trans | -95.8 | 160.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 215 | P | 88.7 | Confident | 88 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 155.2 | -179.6 | 29 | -37.6 | 0 | 0 | 0 | 112.9 | I190 F217 R642 V644 | I190-P215 HydrophobicContact CB-CG 4.28Å; I190-P215 HydrophobicContact CG2-CG 3.94Å; I190-P215 WeakPolarHBondContact O-CD 3.39Å; P215-F217 WeakPolarHBondContact O-CD2 3.25Å; P215-F217 PolarHBondContact O-N 3.39Å; P215-R642 HydrophobicContact CB-CB 3.7Å; P215-R642 WeakPolarHBondContact CB-O 3.33Å; P215-V644 HydrophobicContact CB-CG2 4.36Å |
| 216 | T | 81.1 | Confident | 87.6 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | -3.3 | -177.8 | 71.8 | 0 | 0 | 0 | 0 | 116.8 | L307 R642 L643 | T216-L307 PolarHBondContact O-N 3.39Å; T216-R642 HydrophobicContact CG2-CB 3.77Å; T216-R642 HydrophobicContact CG2-CG 3.73Å; T216-L643 PolarHBondContact N-O 3.05Å; T216-L643 VanDerWaalsContact N-O 3.13Å |
| 217 | F | 85.2 | Confident | 87.2 | Confident | 85 Ų | 85 | 37.4 Ų | 37.4 | 37% | 0.373 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 152.4 | 174 | -57.5 | -85 | 0 | 0 | 0 | 111.8 | P215 T304 Q305 A306 S645 | P215-F217 WeakPolarHBondContact O-CD2 3.25Å; P215-F217 PolarHBondContact O-N 3.39Å; F217-T304 HydrophobicContact CB-CG2 3.5Å; F217-T304 VanDerWaalsContact CB-CG2 3.5Å; F217-T304 HydrophobicContact CD1-CG2 3.91Å; F217-T304 HydrophobicContact CG-CG2 3.74Å; F217-Q305 CarbonylContact C-O 3.53Å; F217-Q305 WeakPolarHBondContact CA-O 3.37Å; F217-A306 HydrophobicContact CD1-CB 4.15Å; F217-A306 HydrophobicContact CE1-CB 4.1Å; F217-S645 PolarHBondContact O-N 3.34Å |
| 218 | H | 90.1 | Very high | 86.7 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.4 | 160.2 | -179.6 | -81.2 | 0 | 0 | 0 | 108.3 | T304 Q305 L307 S645 T647 | H218-T304 WeakPolarHBondContact O-CA 3.24Å; H218-Q305 PolarHBondContact N-O 3.13Å; H218-Q305 PolarHBondContact O-N 2.88Å; H218-L307 HydrophobicContact CB-CD2 4.18Å; H218-L307 HydrophobicContact CB-CG 4.44Å; H218-S645 CarbonylContact C-O 3.49Å; H218-S645 WeakPolarHBondContact CA-O 3.5Å; H218-S645 PolarHBondContact CD2-OG 2.73Å; H218-T647 PolarHBondContact CE1-OG1 3.48Å; H218-T647 PolarHBondContact NE2-OG1 2.66Å |
| 219 | T | 93.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 109.2 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | L221 S645 V646 T647 | T219-L221 HydrophobicContact CG2-CD2 3.74Å; T219-L221 HydrophobicContact CG2-CG 4.41Å; T219-S645 PolarHBondContact N-O 3.18Å; T219-V646 VanDerWaalsContact O-CA 3.3Å; T219-V646 WeakPolarHBondContact O-CA 3.35Å; T219-V646 WeakPolarHBondContact O-CG1 3.34Å; T219-T647 PolarHBondContact O-N 3.12Å |
| 220 | M | 93.2 | Very high | 86 | Confident | 38 Ų | 38 | 33.3 Ų | 33.3 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.3 | 171.1 | 179.4 | -178.6 | -72.1 | 0 | 0 | 109.4 | R222 I303 T647 | M220-R222 HydrophobicContact CG-CG 4.34Å; M220-R222 HydrophobicContact SD-CG 4.41Å; M220-I303 HydrophobicContact CB-CB 4.35Å; M220-I303 PolarHBondContact N-O 2.89Å; M220-I303 PolarHBondContact O-N 2.87Å; M220-T647 CarbonylContact C-O 3.56Å; M220-T647 VanDerWaalsContact CA-O 3.32Å; M220-T647 WeakPolarHBondContact CA-O 3.49Å |
| 221 | L | 93.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.5 | 172 | -54.7 | -173.1 | 0 | 0 | 0 | 108.7 | I194 V211 T219 V300 V646 T647 I648 Q649 | I194-L221 HydrophobicContact CB-CD1 4.43Å; I194-L221 HydrophobicContact CG2-CD1 4.02Å; V211-L221 HydrophobicContact CB-CD1 4.36Å; V211-L221 HydrophobicContact CB-CD2 4.18Å; V211-L221 HydrophobicContact CG1-CD2 3.68Å; V211-L221 HydrophobicContact CG2-CD2 4.3Å; T219-L221 HydrophobicContact CG2-CD2 3.74Å; T219-L221 HydrophobicContact CG2-CG 4.41Å; L221-V300 HydrophobicContact CB-CG1 4Å; L221-V300 HydrophobicContact CD2-CG1 4.31Å; L221-V646 HydrophobicContact CD1-CG1 4.43Å; L221-V646 HydrophobicContact CG-CG1 4.4Å; L221-T647 PolarHBondContact N-O 3.21Å; L221-I648 HydrophobicContact CB-CG1 4.3Å; L221-I648 HydrophobicContact CD1-CG1 4.22Å; L221-I648 HydrophobicContact CG-CG1 4.46Å; L221-I648 CarbonylContact O-C 3.37Å; L221-I648 WeakPolarHBondContact O-CA 3.5Å; L221-Q649 PolarHBondContact O-N 2.96Å |
| 222 | R | 89.2 | Confident | 84.4 | Confident | 84 Ų | 84 | 44.5 Ų | 44.5 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 108.3 | 172.3 | -65.2 | 177.5 | 177.3 | 168.4 | -1.3 | 108.9 | M220 V300 E301 Q649 | M220-R222 HydrophobicContact CG-CG 4.34Å; M220-R222 HydrophobicContact SD-CG 4.41Å; R222-V300 WeakPolarHBondContact O-CA 3.47Å; R222-E301 HydrophobicContact CB-CB 4.28Å; R222-E301 PolarHBondContact N-O 3.23Å; R222-E301 PolarHBondContact O-N 3.38Å; R222-Q649 CarbonylContact C-O 3.53Å; R222-Q649 WeakPolarHBondContact CA-O 3.47Å |
| 223 | A | 86.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P64 L196 S299 Q649 L650 T651 | P64-A223 HydrophobicContact CG-CB 4.4Å; L196-A223 HydrophobicContact CD1-CB 3.88Å; A223-S299 WeakPolarHBondContact CA-O 3.06Å; A223-Q649 PolarHBondContact N-O 3.31Å; A223-L650 HydrophobicContact CB-CD1 4.32Å; A223-T651 PolarHBondContact O-N 3.29Å |
| 224 | V | 80.8 | Confident | 83.6 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.1 | 165.6 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | L226 S299 L657 | V224-L226 HydrophobicContact CG1-CD2 4.23Å; V224-S299 PolarHBondContact N-O 2.88Å; V224-S299 PolarHBondContact O-N 2.84Å; V224-S299 PolarHBondContact O-OG 2.02Å; V224-S299 VanDerWaalsContact O-OG 3.11Å; V224-L657 HydrophobicContact CG1-CD2 3.45Å; V224-L657 VanDerWaalsContact CG1-CD2 3.45Å; V224-L657 HydrophobicContact CG1-CG 4.3Å |
| 225 | G | 77.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 139.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L61 | L61-G225 WeakPolarHBondContact CD1-O 3.31Å |
| 226 | L | 74.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.5 | 176.6 | -58.8 | 174.9 | 0 | 0 | 0 | 108.7 | Y54 V224 S297 L657 L660 | Y54-L226 HydrophobicContact CD1-CD2 4.38Å; Y54-L226 HydrophobicContact CE1-CD1 4.3Å; Y54-L226 HydrophobicContact CE1-CD2 4.06Å; V224-L226 HydrophobicContact CG1-CD2 4.23Å; L226-S297 PolarHBondContact N-O 3.35Å; L226-S297 PolarHBondContact O-N 2.96Å; L226-L657 HydrophobicContact CD2-CD2 3.67Å; L226-L660 HydrophobicContact CD1-CD1 4.46Å |
| 227 | K | 78.1 | Confident | 84 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.6 | 172.7 | 174.5 | 164.3 | 169.8 | 154.8 | 0 | 109.4 | D55 L61 I229 E294 | D55-K227 HydrophobicContact CB-CD 4.29Å; D55-K227 HydrophobicContact CB-CG 4.5Å; L61-K227 HydrophobicContact CD2-CB 4.2Å; K227-I229 HydrophobicContact CG-CG1 4.24Å; K227-E294 VanDerWaalsContact CE-OE1 3.27Å; K227-E294 WeakPolarHBondContact CE-OE1 3.36Å; K227-E294 WeakPolarHBondContact CE-OE2 3.36Å; K227-E294 IonicContact NZ-OE1 3.35Å; K227-E294 PolarHBondContact NZ-OE1 2.74Å; K227-E294 IonicContact NZ-OE2 2.75Å; K227-E294 PolarHBondContact NZ-OE2 3.49Å |
| 228 | K | 75.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | 175.3 | -66.6 | 174.8 | 177.6 | 168.4 | 0 | 109 | Y230 A295 S297 | K228-Y230 HydrophobicContact CB-CE2 4.08Å; K228-A295 HydrophobicContact CB-CB 4.5Å; K228-A295 PolarHBondContact N-O 3.07Å; K228-A295 PolarHBondContact O-N 3.35Å; K228-S297 WeakPolarHBondContact CE-OG 3.42Å; K228-S297 PolarHBondContact NZ-OG 2.89Å |
| 229 | I | 78.7 | Confident | 84.3 | Confident | 50 Ų | 50 | 50 Ų | 50 | 26% | 0.256 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.6 | 176.8 | -54.1 | 176 | 0 | 0 | 0 | 108.2 | S52 K227 C293 | S52-I229 PolarHBondContact N-O 3.32Å; S52-I229 PolarHBondContact OG-O 2.84Å; K227-I229 HydrophobicContact CG-CG1 4.24Å; I229-C293 WeakPolarHBondContact CA-O 3.46Å |
| 230 | Y | 75.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | trans | -108.4 | 114.9 | 177.2 | -57.6 | -89.7 | 0 | 0 | 0 | 109.2 | K228 C234 N291 P292 C293 | K228-Y230 HydrophobicContact CB-CE2 4.08Å; Y230-C234 PolarHBondContact O-SG 2.94Å; Y230-N291 HydrophobicContact CD2-CB 4.26Å; Y230-N291 HydrophobicContact CE2-CB 4.05Å; Y230-P292 WeakPolarHBondContact CD2-O 3.41Å; Y230-C293 PolarHBondContact N-O 2.71Å | ||
| 231 | K | 72.6 | Confident | 84 | Confident | 151 Ų | 151 | 51.4 Ų | 51.4 | 66% | 0.657 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -81.4 | -10.9 | -178.3 | -78.5 | 167.2 | -160.8 | 173.8 | 0 | 114.9 | S52 | S52-K231 WeakPolarHBondContact OG-CD 3.27Å; S52-K231 VanDerWaalsContact OG-CG 3.22Å; S52-K231 WeakPolarHBondContact OG-CG 3.44Å; S52-K231 PolarHBondContact OG-N 3.32Å; S52-K231 VanDerWaalsContact OG-N 3.16Å |
| 232 | Q | 78.2 | Confident | 84 | Confident | 124 Ų | 124 | 54.5 Ų | 54.5 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -147.8 | 158.9 | -176.9 | -64.8 | -176 | -7.8 | 0 | 0 | 110.2 | I50 C234 | I50-Q232 HydrophobicContact CG2-CB 4.41Å; Q232-C234 VanDerWaalsContact C-N 3.27Å; Q232-C234 PolarHBondContact O-N 3.03Å |
| 233 | H | 82.3 | Confident | 84.2 | Confident | 139 Ų | 139 | 52.7 Ų | 52.7 | 64% | 0.644 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 53.3 | 39.9 | 177.4 | -54.9 | 100.5 | 0 | 0 | 0 | 114 | H290 | H233-H290 PolarHBondContact O-CD2 3.14Š|
| 234 | C | 88.5 | Confident | 84.5 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 164 | -175.2 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | Y230 Q232 N291 C293 | Y230-C234 PolarHBondContact O-SG 2.94Å; Q232-C234 VanDerWaalsContact C-N 3.27Å; Q232-C234 PolarHBondContact O-N 3.03Å; C234-N291 CarbonylContact C-O 3.56Å; C234-N291 WeakPolarHBondContact CA-O 3.32Å; C234-N291 VanDerWaalsContact CB-O 3.29Å; C234-N291 WeakPolarHBondContact CB-O 3.45Å; C234-C293 HydrophobicContact CB-CB 3.83Å; C234-C293 WeakPolarHBondContact CB-SG 3.26Å; C234-C293 VanDerWaalsContact SG-CA 3.51Å; C234-C293 WeakPolarHBondContact SG-CB 3.16Å; C234-C293 CovalentContact SG-SG 2.04Å; C234-C293 PolarHBondContact SG-SG 3.45Å |
| 235 | T | 91.7 | Very high | 84.9 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -176.3 | -179.8 | -167 | 0 | 0 | 0 | 0 | 112 | V239 W240 H290 N291 P292 C293 | T235-V239 HydrophobicContact CG2-CB 4.34Å; T235-V239 HydrophobicContact CG2-CG1 4.24Å; T235-V239 WeakPolarHBondContact OG1-CB 3.46Å; T235-V239 WeakPolarHBondContact OG1-CG1 3.49Å; T235-W240 HydrophobicContact CG2-CB 3.91Å; T235-H290 HydrophobicContact CG2-CB 4.34Å; T235-H290 WeakPolarHBondContact CG2-O 3.47Å; T235-N291 PolarHBondContact N-O 2.86Å; T235-P292 CarbonylContact O-C 3.55Å; T235-P292 VanDerWaalsContact O-CA 3.3Å; T235-P292 WeakPolarHBondContact O-CA 3.29Å; T235-C293 PolarHBondContact O-N 3.43Å; T235-C293 PolarHBondContact O-SG 2.82Å; T235-C293 VanDerWaalsContact O-SG 3.37Å |
| 236 | S | 90.9 | Very high | 85.6 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | trans | -76.9 | 153.3 | 173 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | S238 V239 W240 | S236-S238 PolarHBondContact O-N 3.37Å; S236-S238 PolarHBondContact OG-OG 3.5Å; S236-S238 VanDerWaalsContact OG-OG 3.12Å; S236-V239 PolarHBondContact O-N 3.1Å; S236-V239 VanDerWaalsContact O-N 3.16Å; S236-V239 WeakPolarHBondContact OG-CG2 3.34Å; S236-V239 PolarHBondContact OG-N 3.31Å; S236-W240 PolarHBondContact O-N 2.84Å | ||
| 237 | Q | 87.7 | Confident | 86.6 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.3 | -38 | 177.3 | -171.5 | 71.4 | 18.8 | 0 | 0 | 112.4 | G200 D201 A241 P292 | G200-Q237 VanDerWaalsContact C-NE2 3.32Å; G200-Q237 PolarHBondContact O-NE2 3.13Å; D201-Q237 PolarHBondContact OD1-NE2 3.04Å; D201-Q237 VanDerWaalsContact OD1-NE2 3.1Å; Q237-A241 VanDerWaalsContact O-CB 3.26Å; Q237-A241 WeakPolarHBondContact O-CB 3.5Å; Q237-A241 PolarHBondContact O-N 2.91Å; Q237-P292 VanDerWaalsContact OE1-CG 3.3Å |
| 238 | S | 89.4 | Confident | 87.2 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | S236 A241 S242 | S236-S238 PolarHBondContact O-N 3.37Å; S236-S238 PolarHBondContact OG-OG 3.5Å; S236-S238 VanDerWaalsContact OG-OG 3.12Å; S238-A241 PolarHBondContact O-N 3.16Å; S238-S242 PolarHBondContact O-N 3.37Å; S238-S242 PolarHBondContact O-OG 3.3Å |
| 239 | V | 92.6 | Very high | 88 | Confident | 77 Ų | 77 | 59 Ų | 59 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | T235 S236 C243 | T235-V239 HydrophobicContact CG2-CB 4.34Å; T235-V239 HydrophobicContact CG2-CG1 4.24Å; T235-V239 WeakPolarHBondContact OG1-CB 3.46Å; T235-V239 WeakPolarHBondContact OG1-CG1 3.49Å; S236-V239 PolarHBondContact O-N 3.1Å; S236-V239 VanDerWaalsContact O-N 3.16Å; S236-V239 WeakPolarHBondContact OG-CG2 3.34Å; S236-V239 PolarHBondContact OG-N 3.31Å; V239-C243 WeakPolarHBondContact O-CB 3.43Å; V239-C243 PolarHBondContact O-N 3.44Å |
| 240 | W | 91 | Very high | 88.7 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 15% | 0.148 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 170.8 | 174.1 | 81.9 | 0 | 0 | 0 | 111.6 | T235 S236 S242 C243 M244 H290 P292 | T235-W240 HydrophobicContact CG2-CB 3.91Å; S236-W240 PolarHBondContact O-N 2.84Å; W240-S242 PolarHBondContact O-N 3.21Å; W240-C243 PolarHBondContact O-N 3.46Å; W240-M244 HydrophobicContact CD2-CG 3.96Å; W240-M244 VanDerWaalsContact CE2-CG 3.49Å; W240-M244 HydrophobicContact CG-CG 4.38Å; W240-M244 HydrophobicContact CH2-CG 4.3Å; W240-M244 HydrophobicContact CZ2-CG 3.7Å; W240-M244 HydrophobicContact CZ2-SD 4.38Å; W240-M244 WeakPolarHBondContact O-CG 3.5Å; W240-M244 PolarHBondContact O-N 2.76Å; W240-H290 VanDerWaalsContact CD1-O 3.27Å; W240-P292 HydrophobicContact CB-CB 4.41Å; W240-P292 HydrophobicContact CD2-CG 4.39Å; W240-P292 HydrophobicContact CG-CG 4.35Å |
| 241 | A | 89.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q237 S238 H245 | Q237-A241 VanDerWaalsContact O-CB 3.26Å; Q237-A241 WeakPolarHBondContact O-CB 3.5Å; Q237-A241 PolarHBondContact O-N 2.91Å; S238-A241 PolarHBondContact O-N 3.16Å; A241-H245 PolarHBondContact O-N 3.12Å; A241-H245 VanDerWaalsContact O-N 3.09Å |
| 242 | S | 91.7 | Very high | 90.4 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -54 | 170 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | S238 W240 M244 H245 D246 | S238-S242 PolarHBondContact O-N 3.37Å; S238-S242 PolarHBondContact O-OG 3.3Å; W240-S242 PolarHBondContact O-N 3.21Å; S242-M244 VanDerWaalsContact C-N 3.25Å; S242-M244 PolarHBondContact O-N 3.13Å; S242-M244 VanDerWaalsContact O-N 3.16Å; S242-H245 CarbonylContact O-C 3.41Å; S242-H245 WeakPolarHBondContact O-CA 3.43Å; S242-H245 WeakPolarHBondContact O-CB 3.47Å; S242-H245 PolarHBondContact O-N 2.84Å; S242-D246 PolarHBondContact O-N 3.14Å |
| 243 | C | 94.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 53 Ų | 53 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.1 | -40.1 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 113 | V239 W240 C247 C289 | V239-C243 WeakPolarHBondContact O-CB 3.43Å; V239-C243 PolarHBondContact O-N 3.44Å; W240-C243 PolarHBondContact O-N 3.46Å; C243-C247 WeakPolarHBondContact O-CB 3.36Å; C243-C247 PolarHBondContact O-N 2.81Å; C243-C289 HydrophobicContact CB-CB 3.92Å; C243-C289 WeakPolarHBondContact CB-SG 3.49Å; C243-C289 PolarHBondContact O-SG 3.1Å; C243-C289 VanDerWaalsContact O-SG 3.39Å; C243-C289 VanDerWaalsContact SG-CA 3.51Å; C243-C289 WeakPolarHBondContact SG-CB 3.38Å; C243-C289 CovalentContact SG-SG 2.04Å; C243-C289 PolarHBondContact SG-SG 3.41Å |
| 244 | M | 92 | Very high | 91.6 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.069 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 176.8 | -66.6 | -59 | -65.8 | 0 | 0 | 113.1 | W204 W240 S242 M248 P284 C287 C289 | W204-M244 HydrophobicContact CZ3-CE 4.13Å; W204-M244 WeakPolarHBondContact CZ3-O 3.3Å; W240-M244 HydrophobicContact CD2-CG 3.96Å; W240-M244 VanDerWaalsContact CE2-CG 3.49Å; W240-M244 HydrophobicContact CG-CG 4.38Å; W240-M244 HydrophobicContact CH2-CG 4.3Å; W240-M244 HydrophobicContact CZ2-CG 3.7Å; W240-M244 HydrophobicContact CZ2-SD 4.38Å; W240-M244 WeakPolarHBondContact O-CG 3.5Å; W240-M244 PolarHBondContact O-N 2.76Å; S242-M244 VanDerWaalsContact C-N 3.25Å; S242-M244 PolarHBondContact O-N 3.13Å; S242-M244 VanDerWaalsContact O-N 3.16Å; M244-M248 PolarHBondContact O-N 3.09Å; M244-P284 HydrophobicContact CE-CB 3.86Å; M244-C287 HydrophobicContact CE-CB 4.1Å; M244-C287 HydrophobicContact SD-CB 3.83Å; M244-C289 HydrophobicContact SD-CB 3.82Å |
| 245 | H | 89.7 | Confident | 91.6 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.1 | -48.3 | 172.2 | -176.8 | 83.4 | 0 | 0 | 0 | 111.2 | A241 S242 C247 M248 Q249 | A241-H245 PolarHBondContact O-N 3.12Å; A241-H245 VanDerWaalsContact O-N 3.09Å; S242-H245 CarbonylContact O-C 3.41Å; S242-H245 WeakPolarHBondContact O-CA 3.43Å; S242-H245 WeakPolarHBondContact O-CB 3.47Å; S242-H245 PolarHBondContact O-N 2.84Å; H245-C247 PolarHBondContact O-N 3.47Å; H245-M248 WeakPolarHBondContact O-CB 3.34Å; H245-M248 PolarHBondContact O-N 2.98Å; H245-M248 VanDerWaalsContact O-N 3.1Å; H245-Q249 PolarHBondContact CE1-NE2 3.48Å; H245-Q249 PolarHBondContact NE2-NE2 3.42Å; H245-Q249 WeakPolarHBondContact O-CG 3.45Å; H245-Q249 PolarHBondContact O-N 3.19Å |
| 246 | D | 93 | Very high | 91.6 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | -178.5 | -56.2 | -27.8 | 0 | 0 | 0 | 110.3 | S242 M248 Q249 E250 | S242-D246 PolarHBondContact O-N 3.14Å; D246-M248 VanDerWaalsContact C-N 3.34Å; D246-M248 PolarHBondContact O-N 3.18Å; D246-Q249 PolarHBondContact O-N 2.9Å; D246-Q249 VanDerWaalsContact O-N 3.13Å; D246-E250 WeakPolarHBondContact O-CG 3.07Å; D246-E250 PolarHBondContact O-N 2.78Å |
| 247 | C | 94.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.5 | -42.5 | 172.1 | 175.5 | 0 | 0 | 0 | 0 | 113.2 | C243 H245 Q249 E250 M251 C287 | C243-C247 WeakPolarHBondContact O-CB 3.36Å; C243-C247 PolarHBondContact O-N 2.81Å; H245-C247 PolarHBondContact O-N 3.47Å; C247-Q249 VanDerWaalsContact C-N 3.33Å; C247-Q249 PolarHBondContact O-N 3.27Å; C247-E250 PolarHBondContact O-N 3.02Å; C247-M251 WeakPolarHBondContact O-CB 3.32Å; C247-M251 VanDerWaalsContact O-CG 3.31Å; C247-M251 WeakPolarHBondContact O-CG 3.29Å; C247-M251 PolarHBondContact O-N 3.14Å; C247-C287 HydrophobicContact CB-CB 3.83Å; C247-C287 WeakPolarHBondContact CB-SG 3.47Å; C247-C287 WeakPolarHBondContact SG-CA 3.04Å; C247-C287 WeakPolarHBondContact SG-CB 3.34Å; C247-C287 CovalentContact SG-SG 2.04Å; C247-C287 PolarHBondContact SG-SG 3.45Å |
| 248 | M | 91.3 | Very high | 91.8 | Very high | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.7 | 180 | -164.4 | 68.1 | 0 | 0 | 111.2 | W204 M244 H245 D246 L252 L260 | W204-M248 HydrophobicContact CB-SD 4.17Å; W204-M248 HydrophobicContact CD2-CB 4.24Å; W204-M248 HydrophobicContact CD2-CG 3.88Å; W204-M248 HydrophobicContact CD2-SD 3.7Å; W204-M248 HydrophobicContact CE3-CB 4.07Å; W204-M248 HydrophobicContact CE3-CG 4.22Å; W204-M248 HydrophobicContact CE3-SD 4.15Å; W204-M248 HydrophobicContact CG-CG 4.39Å; W204-M248 HydrophobicContact CG-SD 3.68Å; W204-M248 HydrophobicContact CH2-CB 3.79Å; W204-M248 HydrophobicContact CH2-CG 4.22Å; W204-M248 HydrophobicContact CZ2-CB 3.96Å; W204-M248 HydrophobicContact CZ2-CG 3.87Å; W204-M248 HydrophobicContact CZ3-CB 3.85Å; W204-M248 HydrophobicContact CZ3-CG 4.38Å; M244-M248 PolarHBondContact O-N 3.09Å; H245-M248 WeakPolarHBondContact O-CB 3.34Å; H245-M248 PolarHBondContact O-N 2.98Å; H245-M248 VanDerWaalsContact O-N 3.1Å; D246-M248 VanDerWaalsContact C-N 3.34Å; D246-M248 PolarHBondContact O-N 3.18Å; M248-L252 VanDerWaalsContact O-CB 3.31Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 PolarHBondContact O-N 2.84Å; M248-L260 HydrophobicContact CE-CD1 4.42Å |
| 249 | Q | 92.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 178.1 | -61.3 | -80.8 | 24.5 | 0 | 0 | 111.7 | H245 D246 C247 L252 L253 L260 | H245-Q249 PolarHBondContact CE1-NE2 3.48Å; H245-Q249 PolarHBondContact NE2-NE2 3.42Å; H245-Q249 WeakPolarHBondContact O-CG 3.45Å; H245-Q249 PolarHBondContact O-N 3.19Å; D246-Q249 PolarHBondContact O-N 2.9Å; D246-Q249 VanDerWaalsContact O-N 3.13Å; C247-Q249 VanDerWaalsContact C-N 3.33Å; C247-Q249 PolarHBondContact O-N 3.27Å; Q249-L252 WeakPolarHBondContact O-CB 3.42Å; Q249-L252 PolarHBondContact O-N 2.92Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 PolarHBondContact O-N 2.92Å; Q249-L260 PolarHBondContact NE2-O 2.83Å |
| 250 | E | 94 | Very high | 91.5 | Very high | 142 Ų | 142 | 53 Ų | 53 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 174.4 | -74 | -173.6 | 160.9 | 0 | 0 | 111.9 | D246 C247 L252 L253 A254 | D246-E250 WeakPolarHBondContact O-CG 3.07Å; D246-E250 PolarHBondContact O-N 2.78Å; C247-E250 PolarHBondContact O-N 3.02Å; E250-L252 PolarHBondContact O-N 3.01Å; E250-L253 PolarHBondContact O-N 2.9Å; E250-A254 WeakPolarHBondContact O-CB 3.41Å; E250-A254 PolarHBondContact O-N 2.92Å |
| 251 | M | 92.3 | Very high | 91.3 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -28.9 | 177.4 | -72.4 | -167.7 | -65.5 | 0 | 0 | 112.9 | W204 C247 K255 L282 Q286 | W204-M251 HydrophobicContact CH2-CE 3.64Å; W204-M251 HydrophobicContact CZ2-CE 3.68Å; C247-M251 WeakPolarHBondContact O-CB 3.32Å; C247-M251 VanDerWaalsContact O-CG 3.31Å; C247-M251 WeakPolarHBondContact O-CG 3.29Å; C247-M251 PolarHBondContact O-N 3.14Å; M251-K255 VanDerWaalsContact O-CD 3.32Å; M251-K255 WeakPolarHBondContact O-CD 3.05Å; M251-K255 WeakPolarHBondContact O-CG 3.35Å; M251-L282 HydrophobicContact CB-CD2 3.48Å; M251-L282 VanDerWaalsContact CB-CD2 3.48Å; M251-L282 HydrophobicContact CE-CD2 4.33Å; M251-Q286 HydrophobicContact SD-CB 3.75Å; M251-Q286 HydrophobicContact SD-CG 4.48Å; M251-Q286 PolarHBondContact SD-OE1 3.47Å |
| 252 | L | 90.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.7 | -52 | 174 | 172 | 61.1 | 0 | 0 | 0 | 111.2 | M248 Q249 E250 A254 K255 C256 L260 M278 L282 | M248-L252 VanDerWaalsContact O-CB 3.31Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 PolarHBondContact O-N 2.84Å; Q249-L252 WeakPolarHBondContact O-CB 3.42Å; Q249-L252 PolarHBondContact O-N 2.92Å; E250-L252 PolarHBondContact O-N 3.01Å; L252-A254 PolarHBondContact O-N 2.76Å; L252-K255 PolarHBondContact O-N 2.86Å; L252-C256 HydrophobicContact CD1-CB 3.92Å; L252-C256 PolarHBondContact O-N 2.98Å; L252-L260 HydrophobicContact CD2-CD1 4.06Å; L252-L260 HydrophobicContact CD2-CD2 4Å; L252-L260 HydrophobicContact CD2-CG 3.52Å; L252-M278 HydrophobicContact CD1-CE 3.14Å; L252-L282 HydrophobicContact CB-CD2 4.45Å |
| 253 | L | 93.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 56 Ų | 56 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.1 | -42.3 | 178.2 | -178.5 | 69.2 | 0 | 0 | 0 | 111.1 | Q249 E250 K255 Q257 C258 Q259 | Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 PolarHBondContact O-N 2.92Å; E250-L253 PolarHBondContact O-N 2.9Å; L253-K255 PolarHBondContact O-N 3.49Å; L253-Q257 VanDerWaalsContact O-CA 3.25Å; L253-Q257 WeakPolarHBondContact O-CA 3.35Å; L253-Q257 PolarHBondContact O-N 3.24Å; L253-C258 WeakPolarHBondContact CA-O 3.43Å; L253-Q259 HydrophobicContact CB-CG 4.46Å; L253-Q259 HydrophobicContact CD1-CG 4.14Å |
| 254 | A | 92.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.2 | -16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E250 L252 | E250-A254 WeakPolarHBondContact O-CB 3.41Å; E250-A254 PolarHBondContact O-N 2.92Å; L252-A254 PolarHBondContact O-N 2.76Å |
| 255 | K | 90.1 | Very high | 91 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -113.2 | -50.6 | -176 | -68.4 | 171.7 | -171.7 | 159 | 0 | 113.2 | M251 L252 L253 S281 | M251-K255 VanDerWaalsContact O-CD 3.32Å; M251-K255 WeakPolarHBondContact O-CD 3.05Å; M251-K255 WeakPolarHBondContact O-CG 3.35Å; L252-K255 PolarHBondContact O-N 2.86Å; L253-K255 PolarHBondContact O-N 3.49Å; K255-S281 WeakPolarHBondContact CD-OG 3.32Å; K255-S281 PolarHBondContact NZ-O 3Å; K255-S281 PolarHBondContact NZ-OG 3.09Å |
| 256 | C | 90.2 | Very high | 91 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -106.1 | -0.7 | -176.5 | -61.4 | 0 | 0 | 0 | 0 | 114 | L252 C258 C271 | L252-C256 HydrophobicContact CD1-CB 3.92Å; L252-C256 PolarHBondContact O-N 2.98Å; C256-C258 PolarHBondContact O-N 3.14Å; C256-C258 VanDerWaalsContact O-N 3.09Å; C256-C271 WeakPolarHBondContact CA-SG 3.36Å; C256-C271 HydrophobicContact CB-CB 3.55Å; C256-C271 WeakPolarHBondContact CB-SG 3.39Å; C256-C271 WeakPolarHBondContact SG-CB 3.49Å; C256-C271 CovalentContact SG-SG 2.04Å; C256-C271 PolarHBondContact SG-SG 3.46Å |
| 257 | Q | 91.9 | Very high | 90.8 | Very high | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 62.3 | 12.8 | 177.4 | -55.4 | 179.4 | -1.2 | 0 | 0 | 115.3 | L253 | L253-Q257 VanDerWaalsContact O-CA 3.25Å; L253-Q257 WeakPolarHBondContact O-CA 3.35Å; L253-Q257 PolarHBondContact O-N 3.24Å |
| 258 | C | 91.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -122.2 | 176.7 | 176.1 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | L253 C256 C263 E267 | L253-C258 WeakPolarHBondContact CA-O 3.43Å; C256-C258 PolarHBondContact O-N 3.14Å; C256-C258 VanDerWaalsContact O-N 3.09Å; C258-C263 HydrophobicContact CB-CB 3.62Å; C258-C263 WeakPolarHBondContact CB-SG 3.22Å; C258-C263 WeakPolarHBondContact SG-CB 3.44Å; C258-C263 CovalentContact SG-SG 2.04Å; C258-C263 PolarHBondContact SG-SG 2.63Å; C258-E267 HydrophobicContact CB-CB 3.96Å; C258-E267 HydrophobicContact CB-CG 4.25Å | ||
| 259 | Q | 90.9 | Very high | 90.5 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | trans | -134.8 | 159 | 174.5 | -63.2 | -176.6 | 8.4 | 0 | 0 | 111.1 | L253 D262 C263 | L253-Q259 HydrophobicContact CB-CG 4.46Å; L253-Q259 HydrophobicContact CD1-CG 4.14Å; Q259-D262 PolarHBondContact O-N 2.85Å; Q259-C263 WeakPolarHBondContact O-CB 3.06Å; Q259-C263 PolarHBondContact O-N 2.8Å | ||
| 260 | L | 85.5 | Confident | 90.4 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 141.9 | 178.5 | -59.5 | 178.4 | 0 | 0 | 0 | 111.6 | F119 P154 M248 Q249 L252 C263 | F119-L260 HydrophobicContact CD2-CD2 3.68Å; F119-L260 HydrophobicContact CE1-CD1 4.08Å; F119-L260 HydrophobicContact CE1-CD2 4.48Å; F119-L260 HydrophobicContact CE2-CD1 3.91Å; F119-L260 HydrophobicContact CE2-CD2 3.37Å; F119-L260 HydrophobicContact CE2-CG 4.22Å; F119-L260 HydrophobicContact CG-CD2 4.38Å; F119-L260 HydrophobicContact CZ-CD1 3.48Å; F119-L260 VanDerWaalsContact CZ-CD1 3.48Å; F119-L260 HydrophobicContact CZ-CD2 3.82Å; F119-L260 HydrophobicContact CZ-CG 4.18Å; P154-L260 HydrophobicContact CG-CD1 4.07Å; M248-L260 HydrophobicContact CE-CD1 4.42Å; Q249-L260 PolarHBondContact NE2-O 2.83Å; L252-L260 HydrophobicContact CD2-CD1 4.06Å; L252-L260 HydrophobicContact CD2-CD2 4Å; L252-L260 HydrophobicContact CD2-CG 3.52Å; L260-C263 HydrophobicContact CD2-CB 3.99Å |
| 261 | P | 86.4 | Confident | 90.2 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.6 | -7.5 | 10.8 | 35.9 | -36.9 | 0 | 0 | 0 | 115.1 | F119 C263 | F119-P261 HydrophobicContact CB-CB 4.44Å; P261-C263 VanDerWaalsContact C-N 3.34Å; P261-C263 PolarHBondContact O-N 3.13Å |
| 262 | D | 89.2 | Confident | 90 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.6 | -162 | -59.1 | -58.4 | 0 | 0 | 0 | 115.2 | Q259 T264 | Q259-D262 PolarHBondContact O-N 2.85Å; D262-T264 PolarHBondContact O-N 3.23Å; D262-T264 VanDerWaalsContact O-N 3.11Å |
| 263 | C | 90.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | trans | -45.7 | 116.9 | 177.9 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | P117 I118 C258 Q259 L260 P261 | P117-C263 WeakPolarHBondContact CA-O 3.03Å; I118-C263 WeakPolarHBondContact CG2-O 3.3Å; I118-C263 PolarHBondContact N-O 3.23Å; C258-C263 HydrophobicContact CB-CB 3.62Å; C258-C263 WeakPolarHBondContact CB-SG 3.22Å; C258-C263 WeakPolarHBondContact SG-CB 3.44Å; C258-C263 CovalentContact SG-SG 2.04Å; C258-C263 PolarHBondContact SG-SG 2.63Å; Q259-C263 WeakPolarHBondContact O-CB 3.06Å; Q259-C263 PolarHBondContact O-N 2.8Å; L260-C263 HydrophobicContact CD2-CB 3.99Å; P261-C263 VanDerWaalsContact C-N 3.34Å; P261-C263 PolarHBondContact O-N 3.13Å | ||
| 264 | T | 91.7 | Very high | 89.8 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 160.8 | -177.3 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | M116 D262 F266 E267 M268 | M116-T264 WeakPolarHBondContact O-CA 3.34Å; D262-T264 PolarHBondContact O-N 3.23Å; D262-T264 VanDerWaalsContact O-N 3.11Å; T264-F266 PolarHBondContact O-N 3.45Å; T264-E267 WeakPolarHBondContact CB-OE2 3.39Å; T264-E267 WeakPolarHBondContact CG2-OE2 3.25Å; T264-E267 PolarHBondContact N-OE2 2.93Å; T264-E267 PolarHBondContact O-N 2.84Å; T264-E267 VanDerWaalsContact OG1-CD 3.31Å; T264-E267 VanDerWaalsContact OG1-CG 3.29Å; T264-E267 WeakPolarHBondContact OG1-CG 3.41Å; T264-E267 PolarHBondContact OG1-N 2.94Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; T264-E267 PolarHBondContact OG1-OE2 2.96Å; T264-M268 PolarHBondContact O-N 2.89Å; T264-M268 VanDerWaalsContact O-N 3.13Å |
| 265 | V | 89.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56 | -42.2 | 167.5 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | I96 A100 L114 M116 I118 E267 M268 M269 | I96-V265 HydrophobicContact CG2-CB 4.21Å; I96-V265 HydrophobicContact CG2-CG1 3.28Å; I96-V265 HydrophobicContact CG2-CG2 4.2Å; A100-V265 HydrophobicContact CB-CG1 3.73Å; L114-V265 HydrophobicContact CD2-CG1 4.31Å; L114-V265 PolarHBondContact O-N 2.9Å; M116-V265 PolarHBondContact O-N 2.85Å; I118-V265 HydrophobicContact CB-CG2 4.08Å; I118-V265 HydrophobicContact CG1-CG2 4.23Å; V265-E267 PolarHBondContact O-N 3.18Å; V265-M268 WeakPolarHBondContact O-CB 3.38Å; V265-M268 PolarHBondContact O-N 3.09Å; V265-M269 HydrophobicContact CG1-CE 3.76Å; V265-M269 HydrophobicContact CG1-CG 4.39Å; V265-M269 HydrophobicContact CG1-SD 4.19Å; V265-M269 WeakPolarHBondContact O-CG 3.43Å; V265-M269 PolarHBondContact O-N 3.29Å |
| 266 | F | 89.4 | Confident | 89.3 | Confident | 104 Ų | 104 | 52 Ų | 52 | 46% | 0.456 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 178.8 | -175.3 | -108.6 | 0 | 0 | 0 | 113.1 | L114 T264 M268 M269 R270 | L114-F266 HydrophobicContact CB-CB 4.26Å; L114-F266 HydrophobicContact CD1-CD2 4.44Å; L114-F266 PolarHBondContact O-N 2.89Å; T264-F266 PolarHBondContact O-N 3.45Å; F266-M268 VanDerWaalsContact C-N 3.33Å; F266-M268 PolarHBondContact O-N 3.36Å; F266-M269 PolarHBondContact O-N 2.89Å; F266-R270 VanDerWaalsContact O-CB 3.25Å; F266-R270 WeakPolarHBondContact O-CB 3.4Å; F266-R270 PolarHBondContact O-N 2.04Å |
| 267 | E | 89.9 | Confident | 89.1 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 177.2 | -70.5 | 159.7 | 127.5 | 0 | 0 | 111.9 | C258 T264 V265 R270 C271 | C258-E267 HydrophobicContact CB-CB 3.96Å; C258-E267 HydrophobicContact CB-CG 4.25Å; T264-E267 WeakPolarHBondContact CB-OE2 3.39Å; T264-E267 WeakPolarHBondContact CG2-OE2 3.25Å; T264-E267 PolarHBondContact N-OE2 2.93Å; T264-E267 PolarHBondContact O-N 2.84Å; T264-E267 VanDerWaalsContact OG1-CD 3.31Å; T264-E267 VanDerWaalsContact OG1-CG 3.29Å; T264-E267 WeakPolarHBondContact OG1-CG 3.41Å; T264-E267 PolarHBondContact OG1-N 2.94Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; T264-E267 PolarHBondContact OG1-OE2 2.96Å; V265-E267 PolarHBondContact O-N 3.18Å; E267-R270 PolarHBondContact O-N 3.07Å; E267-C271 PolarHBondContact O-N 3.27Å |
| 268 | M | 88.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.4 | -167 | 66 | 59.3 | 0 | 0 | 112.2 | A100 I118 T264 V265 F266 R270 C271 M275 M278 | A100-M268 HydrophobicContact CB-CB 4.3Å; A100-M268 HydrophobicContact CB-CG 4.29Å; A100-M268 WeakPolarHBondContact O-CG 3.08Å; I118-M268 HydrophobicContact CD1-CB 4.17Å; I118-M268 HydrophobicContact CD1-CG 3.86Å; I118-M268 HydrophobicContact CG2-CE 3.94Å; T264-M268 PolarHBondContact O-N 2.89Å; T264-M268 VanDerWaalsContact O-N 3.13Å; V265-M268 WeakPolarHBondContact O-CB 3.38Å; V265-M268 PolarHBondContact O-N 3.09Å; F266-M268 VanDerWaalsContact C-N 3.33Å; F266-M268 PolarHBondContact O-N 3.36Å; M268-R270 VanDerWaalsContact C-N 3.33Å; M268-R270 PolarHBondContact O-N 2.93Å; M268-C271 WeakPolarHBondContact O-CB 3.43Å; M268-C271 PolarHBondContact O-N 3.36Å; M268-M275 HydrophobicContact CE-CE 3.65Å; M268-M275 HydrophobicContact CG-CE 4.34Å; M268-M275 HydrophobicContact SD-CE 3.7Å; M268-M275 HydrophobicContact SD-SD 4.46Å; M268-M278 HydrophobicContact CE-CE 3.85Å; M268-M278 HydrophobicContact CE-SD 4.19Å; M268-M278 HydrophobicContact SD-CE 3.89Å; M268-M278 HydrophobicContact SD-SD 3.55Å |
| 269 | M | 89.6 | Confident | 88.5 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 173 | -71.6 | 179.7 | 173.1 | 0 | 0 | 111.4 | I96 D99 A100 R104 F109 L114 V265 F266 C271 G272 | I96-M269 HydrophobicContact CG2-CE 4.2Å; I96-M269 VanDerWaalsContact O-CE 3.25Å; I96-M269 WeakPolarHBondContact O-CE 3.29Å; D99-M269 HydrophobicContact CB-CE 4Å; A100-M269 HydrophobicContact CB-CE 4.18Å; A100-M269 HydrophobicContact CB-CG 3.87Å; R104-M269 WeakPolarHBondContact O-CG 3.08Å; F109-M269 HydrophobicContact CD2-CE 4.22Å; F109-M269 HydrophobicContact CE2-CE 4.14Å; L114-M269 HydrophobicContact CD2-CE 4.25Å; L114-M269 HydrophobicContact CD2-SD 3.92Å; V265-M269 HydrophobicContact CG1-CE 3.76Å; V265-M269 HydrophobicContact CG1-CG 4.39Å; V265-M269 HydrophobicContact CG1-SD 4.19Å; V265-M269 WeakPolarHBondContact O-CG 3.43Å; V265-M269 PolarHBondContact O-N 3.29Å; F266-M269 PolarHBondContact O-N 2.89Å; M269-C271 VanDerWaalsContact C-N 3.27Å; M269-C271 PolarHBondContact O-N 2.04Å; M269-G272 PolarHBondContact O-N 3.05Å |
| 270 | R | 89.6 | Confident | 88.3 | Confident | 179 Ų | 179 | 49.6 Ų | 49.6 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.8 | -23.8 | 179.5 | -174 | 177.6 | 178 | 117.3 | -0.1 | 113.3 | F266 E267 M268 G272 | F266-R270 VanDerWaalsContact O-CB 3.25Å; F266-R270 WeakPolarHBondContact O-CB 3.4Å; F266-R270 PolarHBondContact O-N 2.04Å; E267-R270 PolarHBondContact O-N 3.07Å; M268-R270 VanDerWaalsContact C-N 3.33Å; M268-R270 PolarHBondContact O-N 2.93Å; R270-G272 PolarHBondContact O-N 3.37Å |
| 271 | C | 90.2 | Very high | 88.2 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.4 | 176.4 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | C256 E267 M268 M269 L273 | C256-C271 WeakPolarHBondContact CA-SG 3.36Å; C256-C271 HydrophobicContact CB-CB 3.55Å; C256-C271 WeakPolarHBondContact CB-SG 3.39Å; C256-C271 WeakPolarHBondContact SG-CB 3.49Å; C256-C271 CovalentContact SG-SG 2.04Å; C256-C271 PolarHBondContact SG-SG 3.46Å; E267-C271 PolarHBondContact O-N 3.27Å; M268-C271 WeakPolarHBondContact O-CB 3.43Å; M268-C271 PolarHBondContact O-N 3.36Å; M269-C271 VanDerWaalsContact C-N 3.27Å; M269-C271 PolarHBondContact O-N 2.04Å; C271-L273 PolarHBondContact O-N 2.85Å |
| 272 | G | 88.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | trans | 69.7 | 0.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G103 M269 R270 | G103-G272 WeakPolarHBondContact O-CA 3.35Å; M269-G272 PolarHBondContact O-N 3.05Å; R270-G272 PolarHBondContact O-N 3.37Å | ||
| 273 | L | 89.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -102.5 | 138.5 | 179.1 | -62.2 | 179.8 | 0 | 0 | 0 | 110.3 | G103 C271 M278 | G103-L273 VanDerWaalsContact CA-O 3.3Å; G103-L273 WeakPolarHBondContact CA-O 3.14Å; C271-L273 PolarHBondContact O-N 2.85Å; L273-M278 HydrophobicContact CB-CB 4.22Å |
| 274 | T | 89.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | trans | -64 | 146.9 | 165.8 | 78.5 | 0 | 0 | 0 | 0 | 109.4 | N276 S277 M278 | T274-N276 PolarHBondContact O-N 3.08Å; T274-N276 VanDerWaalsContact O-N 3.14Å; T274-S277 PolarHBondContact N-OG 2.87Å; T274-S277 VanDerWaalsContact N-OG 3.13Å; T274-S277 PolarHBondContact O-N 3.04Å; T274-S277 VanDerWaalsContact O-N 3.12Å; T274-S277 PolarHBondContact O-OG 2.92Å; T274-S277 PolarHBondContact OG1-N 3.01Å; T274-S277 PolarHBondContact OG1-OG 2.04Å; T274-M278 VanDerWaalsContact O-CB 3.27Å; T274-M278 WeakPolarHBondContact O-CB 3.33Å; T274-M278 PolarHBondContact O-N 2.87Å | ||
| 275 | M | 87.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.5 | -35.4 | 179.6 | -173.6 | 67.7 | 71.9 | 0 | 0 | 112 | F101 I118 P154 M268 M278 I279 | F101-M275 HydrophobicContact CD1-CB 4.03Å; F101-M275 HydrophobicContact CD2-CB 3.69Å; F101-M275 HydrophobicContact CD2-CE 4.29Å; F101-M275 HydrophobicContact CD2-CG 3.93Å; F101-M275 HydrophobicContact CE1-CB 3.91Å; F101-M275 HydrophobicContact CE2-CB 3.57Å; F101-M275 HydrophobicContact CE2-CG 3.48Å; F101-M275 VanDerWaalsContact CE2-CG 3.48Å; F101-M275 HydrophobicContact CG-CB 3.92Å; F101-M275 HydrophobicContact CZ-CB 3.68Å; F101-M275 HydrophobicContact CZ-CG 3.84Å; F101-M275 PolarHBondContact O-N 2.81Å; I118-M275 HydrophobicContact CD1-CE 4.36Å; P154-M275 HydrophobicContact CB-SD 4.38Å; P154-M275 WeakPolarHBondContact O-CG 3.41Å; M268-M275 HydrophobicContact CE-CE 3.65Å; M268-M275 HydrophobicContact CG-CE 4.34Å; M268-M275 HydrophobicContact SD-CE 3.7Å; M268-M275 HydrophobicContact SD-SD 4.46Å; M275-M278 HydrophobicContact CE-SD 4.47Å; M275-M278 WeakPolarHBondContact O-CB 3.3Å; M275-M278 PolarHBondContact O-N 3.45Å; M275-M278 HydrophobicContact SD-SD 3.65Å; M275-M278 VanDerWaalsContact SD-SD 3.65Å; M275-I279 HydrophobicContact CG-CD1 3.87Å; M275-I279 WeakPolarHBondContact O-CB 3.03Å; M275-I279 VanDerWaalsContact O-CD1 3.26Å; M275-I279 WeakPolarHBondContact O-CD1 3.4Å; M275-I279 WeakPolarHBondContact O-CG1 3.11Å; M275-I279 PolarHBondContact O-N 3.13Å; M275-I279 HydrophobicContact SD-CD1 4.5Å |
| 276 | N | 84.9 | Confident | 87.7 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -50.6 | 176.5 | -65.9 | -46.8 | 0 | 0 | 0 | 111.9 | Q187 T274 M278 I279 E280 | Q187-N276 PolarHBondContact NE2-ND2 3.15Å; Q187-N276 PolarHBondContact OE1-ND2 2.87Å; T274-N276 PolarHBondContact O-N 3.08Å; T274-N276 VanDerWaalsContact O-N 3.14Å; N276-M278 PolarHBondContact O-N 2.85Å; N276-I279 PolarHBondContact O-N 3.49Å; N276-E280 WeakPolarHBondContact O-CG 3.47Å; N276-E280 PolarHBondContact O-N 3.08Å |
| 277 | S | 86.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -31.8 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | T274 S281 | T274-S277 PolarHBondContact N-OG 2.87Å; T274-S277 VanDerWaalsContact N-OG 3.13Å; T274-S277 PolarHBondContact O-N 3.04Å; T274-S277 VanDerWaalsContact O-N 3.12Å; T274-S277 PolarHBondContact O-OG 2.92Å; T274-S277 PolarHBondContact OG1-N 3.01Å; T274-S277 PolarHBondContact OG1-OG 2.04Å; S277-S281 WeakPolarHBondContact O-CB 3.46Å; S277-S281 PolarHBondContact O-N 2.99Å |
| 278 | M | 86.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -51 | 173.8 | 175 | -170.3 | -178.1 | 0 | 0 | 110.5 | L252 M268 L273 T274 M275 N276 E280 S281 L282 | L252-M278 HydrophobicContact CD1-CE 3.14Å; M268-M278 HydrophobicContact CE-CE 3.85Å; M268-M278 HydrophobicContact CE-SD 4.19Å; M268-M278 HydrophobicContact SD-CE 3.89Å; M268-M278 HydrophobicContact SD-SD 3.55Å; L273-M278 HydrophobicContact CB-CB 4.22Å; T274-M278 VanDerWaalsContact O-CB 3.27Å; T274-M278 WeakPolarHBondContact O-CB 3.33Å; T274-M278 PolarHBondContact O-N 2.87Å; M275-M278 HydrophobicContact CE-SD 4.47Å; M275-M278 WeakPolarHBondContact O-CB 3.3Å; M275-M278 PolarHBondContact O-N 3.45Å; M275-M278 HydrophobicContact SD-SD 3.65Å; M275-M278 VanDerWaalsContact SD-SD 3.65Å; N276-M278 PolarHBondContact O-N 2.85Å; M278-E280 PolarHBondContact O-N 3.46Å; M278-S281 WeakPolarHBondContact O-CB 3.5Å; M278-S281 PolarHBondContact O-N 2.86Å; M278-S281 VanDerWaalsContact O-N 3.16Å; M278-S281 PolarHBondContact O-OG 2.9Å; M278-L282 HydrophobicContact CG-CD1 4.37Å; M278-L282 VanDerWaalsContact O-CG 3.32Å; M278-L282 WeakPolarHBondContact O-CG 3.35Å; M278-L282 PolarHBondContact O-N 3.33Å |
| 279 | I | 85 | Confident | 88 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.8 | -68.1 | 156.8 | 0 | 0 | 0 | 111.5 | P154 N155 M275 N276 S281 L282 | P154-I279 HydrophobicContact CB-CD1 4.3Å; P154-I279 HydrophobicContact CB-CG1 4.01Å; N155-I279 HydrophobicContact CB-CD1 3.72Å; M275-I279 HydrophobicContact CG-CD1 3.87Å; M275-I279 WeakPolarHBondContact O-CB 3.03Å; M275-I279 VanDerWaalsContact O-CD1 3.26Å; M275-I279 WeakPolarHBondContact O-CD1 3.4Å; M275-I279 WeakPolarHBondContact O-CG1 3.11Å; M275-I279 PolarHBondContact O-N 3.13Å; M275-I279 HydrophobicContact SD-CD1 4.5Å; N276-I279 PolarHBondContact O-N 3.49Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-S281 PolarHBondContact O-N 2.81Å; I279-L282 CarbonylContact O-C 3.52Å; I279-L282 WeakPolarHBondContact O-CA 3.29Å; I279-L282 WeakPolarHBondContact O-CB 3.19Å; I279-L282 PolarHBondContact O-N 2.87Å |
| 280 | E | 85.4 | Confident | 88 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 66% | 0.659 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | 176.2 | -72.6 | 165.3 | -167.3 | 0 | 0 | 111.8 | N276 M278 L282 | N276-E280 WeakPolarHBondContact O-CG 3.47Å; N276-E280 PolarHBondContact O-N 3.08Å; M278-E280 PolarHBondContact O-N 3.46Å; E280-L282 VanDerWaalsContact C-N 3.32Å |
| 281 | S | 84.2 | Confident | 87.9 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 173.7 | 89.9 | 0 | 0 | 0 | 0 | 112.7 | K255 S277 M278 I279 S283 Q286 | K255-S281 WeakPolarHBondContact CD-OG 3.32Å; K255-S281 PolarHBondContact NZ-O 3Å; K255-S281 PolarHBondContact NZ-OG 3.09Å; S277-S281 WeakPolarHBondContact O-CB 3.46Å; S277-S281 PolarHBondContact O-N 2.99Å; M278-S281 WeakPolarHBondContact O-CB 3.5Å; M278-S281 PolarHBondContact O-N 2.86Å; M278-S281 VanDerWaalsContact O-N 3.16Å; M278-S281 PolarHBondContact O-OG 2.9Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-S281 PolarHBondContact O-N 2.81Å; S281-S283 PolarHBondContact O-N 2.87Å; S281-Q286 PolarHBondContact O-NE2 2.96Å |
| 282 | L | 86 | Confident | 87.8 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -79.9 | 58.7 | 175.5 | -65.3 | 172.7 | 0 | 0 | 0 | 109.2 | W204 M251 L252 M278 I279 E280 P284 | W204-L282 HydrophobicContact CZ2-CB 4.11Å; W204-L282 WeakPolarHBondContact CZ2-O 3.25Å; M251-L282 HydrophobicContact CB-CD2 3.48Å; M251-L282 VanDerWaalsContact CB-CD2 3.48Å; M251-L282 HydrophobicContact CE-CD2 4.33Å; L252-L282 HydrophobicContact CB-CD2 4.45Å; M278-L282 HydrophobicContact CG-CD1 4.37Å; M278-L282 VanDerWaalsContact O-CG 3.32Å; M278-L282 WeakPolarHBondContact O-CG 3.35Å; M278-L282 PolarHBondContact O-N 3.33Å; I279-L282 CarbonylContact O-C 3.52Å; I279-L282 WeakPolarHBondContact O-CA 3.29Å; I279-L282 WeakPolarHBondContact O-CB 3.19Å; I279-L282 PolarHBondContact O-N 2.87Å; E280-L282 VanDerWaalsContact C-N 3.32Å; L282-P284 WeakPolarHBondContact O-CD 3.46Å |
| 283 | S | 88.2 | Confident | 87.7 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | trans | -78 | 125.2 | -179.8 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | S281 V285 Q286 | S281-S283 PolarHBondContact O-N 2.87Å; S283-V285 PolarHBondContact O-N 3.24Å; S283-Q286 WeakPolarHBondContact O-CB 3.29Å; S283-Q286 PolarHBondContact O-N 2.77Å | ||
| 284 | P | 86.7 | Confident | 87.5 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 16% | 0.156 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -58.3 | -22.7 | 178.7 | -25.8 | 35.4 | 0 | 0 | 0 | 114.2 | W204 M244 L282 Q286 C287 | W204-P284 HydrophobicContact CH2-CB 4.24Å; W204-P284 HydrophobicContact CH2-CG 4.08Å; W204-P284 HydrophobicContact CZ2-CG 4.18Å; W204-P284 HydrophobicContact CZ3-CB 4.41Å; W204-P284 HydrophobicContact CZ3-CG 4.3Å; M244-P284 HydrophobicContact CE-CB 3.86Å; L282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-Q286 PolarHBondContact O-N 3.34Å; P284-C287 WeakPolarHBondContact O-CB 3.4Å; P284-C287 PolarHBondContact O-N 3.21Å; P284-C287 VanDerWaalsContact O-N 3.1Å |
| 285 | V | 86.8 | Confident | 87.1 | Confident | 136 Ų | 136 | 58.4 Ų | 58.4 | 82% | 0.824 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66 | -16.7 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | S283 C287 | S283-V285 PolarHBondContact O-N 3.24Å; V285-C287 VanDerWaalsContact C-N 3.32Å |
| 286 | Q | 88.2 | Confident | 86.8 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -78 | -16.7 | 174.7 | -64.1 | 169.9 | 38.8 | 0 | 0 | 112.5 | M251 S281 S283 P284 | M251-Q286 HydrophobicContact SD-CB 3.75Å; M251-Q286 HydrophobicContact SD-CG 4.48Å; M251-Q286 PolarHBondContact SD-OE1 3.47Å; S281-Q286 PolarHBondContact O-NE2 2.96Å; S283-Q286 WeakPolarHBondContact O-CB 3.29Å; S283-Q286 PolarHBondContact O-N 2.77Å; P284-Q286 PolarHBondContact O-N 3.34Å |
| 287 | C | 91.2 | Very high | 86.6 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | trans | -78.4 | 128.2 | -176.4 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | M244 C247 P284 V285 C289 | M244-C287 HydrophobicContact CE-CB 4.1Å; M244-C287 HydrophobicContact SD-CB 3.83Å; C247-C287 HydrophobicContact CB-CB 3.83Å; C247-C287 WeakPolarHBondContact CB-SG 3.47Å; C247-C287 WeakPolarHBondContact SG-CA 3.04Å; C247-C287 WeakPolarHBondContact SG-CB 3.34Å; C247-C287 CovalentContact SG-SG 2.04Å; C247-C287 PolarHBondContact SG-SG 3.45Å; P284-C287 WeakPolarHBondContact O-CB 3.4Å; P284-C287 PolarHBondContact O-N 3.21Å; P284-C287 VanDerWaalsContact O-N 3.1Å; V285-C287 VanDerWaalsContact C-N 3.32Å; C287-C289 PolarHBondContact O-N 2.95Å | ||
| 288 | R | 92.1 | Very high | 86.5 | Confident | 247 Ų | 247 | 59.9 Ų | 59.9 | 93% | 0.932 | 31% | 0.307 | S | S | * | . | trans | -89.7 | 41.2 | -179.7 | -60.4 | -175.9 | -178.1 | -179.8 | 1.7 | 113 | ||||
| 289 | C | 90.9 | Very high | 86.3 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 134.7 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | C243 M244 C287 | C243-C289 HydrophobicContact CB-CB 3.92Å; C243-C289 WeakPolarHBondContact CB-SG 3.49Å; C243-C289 PolarHBondContact O-SG 3.1Å; C243-C289 VanDerWaalsContact O-SG 3.39Å; C243-C289 VanDerWaalsContact SG-CA 3.51Å; C243-C289 WeakPolarHBondContact SG-CB 3.38Å; C243-C289 CovalentContact SG-SG 2.04Å; C243-C289 PolarHBondContact SG-SG 3.41Å; M244-C289 HydrophobicContact SD-CB 3.82Å; C287-C289 PolarHBondContact O-N 2.95Å |
| 290 | H | 90.2 | Very high | 86.3 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 53% | 0.532 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.4 | 171.1 | -69.3 | 100.1 | 0 | 0 | 0 | 110.4 | H233 T235 W240 | H233-H290 PolarHBondContact O-CD2 3.14Å; T235-H290 HydrophobicContact CG2-CB 4.34Å; T235-H290 WeakPolarHBondContact CG2-O 3.47Å; W240-H290 VanDerWaalsContact CD1-O 3.27Å |
| 291 | N | 87.5 | Confident | 86.5 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 151.2 | -179.6 | -76.5 | -41.8 | 0 | 0 | 0 | 112.4 | Y230 C234 T235 | Y230-N291 HydrophobicContact CD2-CB 4.26Å; Y230-N291 HydrophobicContact CE2-CB 4.05Å; C234-N291 CarbonylContact C-O 3.56Å; C234-N291 WeakPolarHBondContact CA-O 3.32Å; C234-N291 VanDerWaalsContact CB-O 3.29Å; C234-N291 WeakPolarHBondContact CB-O 3.45Å; T235-N291 PolarHBondContact N-O 2.86Å |
| 292 | P | 89.1 | Confident | 86.7 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.4 | 171.5 | 28.3 | -33 | 0 | 0 | 0 | 110.6 | Y230 T235 Q237 W240 E294 A295 | Y230-P292 WeakPolarHBondContact CD2-O 3.41Å; T235-P292 CarbonylContact O-C 3.55Å; T235-P292 VanDerWaalsContact O-CA 3.3Å; T235-P292 WeakPolarHBondContact O-CA 3.29Å; Q237-P292 VanDerWaalsContact OE1-CG 3.3Å; W240-P292 HydrophobicContact CB-CB 4.41Å; W240-P292 HydrophobicContact CD2-CG 4.39Å; W240-P292 HydrophobicContact CG-CG 4.35Å; P292-E294 VanDerWaalsContact C-N 3.26Å; P292-E294 PolarHBondContact O-N 2.79Å; P292-A295 HydrophobicContact CG-CB 4.08Å |
| 293 | C | 87 | Confident | 86.9 | Confident | 50 Ų | 50 | 64 Ų | 64 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -63 | -28.9 | -173.7 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | I229 Y230 C234 T235 | I229-C293 WeakPolarHBondContact CA-O 3.46Å; Y230-C293 PolarHBondContact N-O 2.71Å; C234-C293 HydrophobicContact CB-CB 3.83Å; C234-C293 WeakPolarHBondContact CB-SG 3.26Å; C234-C293 VanDerWaalsContact SG-CA 3.51Å; C234-C293 WeakPolarHBondContact SG-CB 3.16Å; C234-C293 CovalentContact SG-SG 2.04Å; C234-C293 PolarHBondContact SG-SG 3.45Å; T235-C293 PolarHBondContact O-N 3.43Å; T235-C293 PolarHBondContact O-SG 2.82Å; T235-C293 VanDerWaalsContact O-SG 3.37Å |
| 294 | E | 84 | Confident | 87 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.9 | 167.5 | 176.4 | 168.8 | 155.6 | 0 | 0 | 108.4 | K227 P292 | K227-E294 VanDerWaalsContact CE-OE1 3.27Å; K227-E294 WeakPolarHBondContact CE-OE1 3.36Å; K227-E294 WeakPolarHBondContact CE-OE2 3.36Å; K227-E294 IonicContact NZ-OE1 3.35Å; K227-E294 PolarHBondContact NZ-OE1 2.74Å; K227-E294 IonicContact NZ-OE2 2.75Å; K227-E294 PolarHBondContact NZ-OE2 3.49Å; P292-E294 VanDerWaalsContact C-N 3.26Å; P292-E294 PolarHBondContact O-N 2.79Å |
| 295 | A | 81.7 | Confident | 86.9 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K228 P292 | K228-A295 HydrophobicContact CB-CB 4.5Å; K228-A295 PolarHBondContact N-O 3.07Å; K228-A295 PolarHBondContact O-N 3.35Å; P292-A295 HydrophobicContact CG-CB 4.08Å |
| 296 | I | 80.6 | Confident | 86.6 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 20% | 0.195 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 107.4 | 172.3 | -55 | 178.6 | 0 | 0 | 0 | 108.2 | L61 P62 Y298 | L61-I296 HydrophobicContact CD2-CD1 4.25Å; L61-I296 HydrophobicContact CD2-CG2 4Å; P62-I296 HydrophobicContact CG-CD1 3.75Å; I296-Y298 HydrophobicContact CB-CE2 4.48Å; I296-Y298 HydrophobicContact CG2-CD2 4.45Å; I296-Y298 HydrophobicContact CG2-CE1 4.18Å; I296-Y298 HydrophobicContact CG2-CE2 3.77Å |
| 297 | S | 80.8 | Confident | 85.7 | Confident | 36 Ų | 36 | 67 Ų | 67 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.4 | 175.9 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | L226 K228 | L226-S297 PolarHBondContact N-O 3.35Å; L226-S297 PolarHBondContact O-N 2.96Å; K228-S297 WeakPolarHBondContact CE-OG 3.42Å; K228-S297 PolarHBondContact NZ-OG 2.89Å |
| 298 | Y | 83.5 | Confident | 84 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.3 | 178.4 | -61.9 | -87.9 | 0 | 0 | 0 | 110.5 | P62 P64 I296 L650 | P62-Y298 PolarHBondContact O-OH 2.81Å; P64-Y298 HydrophobicContact CB-CD1 3.93Å; P64-Y298 HydrophobicContact CB-CD2 3.84Å; P64-Y298 HydrophobicContact CB-CE1 3.8Å; P64-Y298 HydrophobicContact CB-CE2 3.71Å; P64-Y298 HydrophobicContact CB-CG 3.95Å; P64-Y298 HydrophobicContact CG-CD1 4.06Å; P64-Y298 HydrophobicContact CG-CE1 4.02Å; P64-Y298 HydrophobicContact CG-CG 4.44Å; I296-Y298 HydrophobicContact CB-CE2 4.48Å; I296-Y298 HydrophobicContact CG2-CD2 4.45Å; I296-Y298 HydrophobicContact CG2-CE1 4.18Å; I296-Y298 HydrophobicContact CG2-CE2 3.77Å; Y298-L650 HydrophobicContact CE1-CD1 4.49Å |
| 299 | S | 82.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 139.1 | 167.1 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | A223 V224 | A223-S299 WeakPolarHBondContact CA-O 3.06Å; V224-S299 PolarHBondContact N-O 2.88Å; V224-S299 PolarHBondContact O-N 2.84Å; V224-S299 PolarHBondContact O-OG 2.02Å; V224-S299 VanDerWaalsContact O-OG 3.11Å |
| 300 | V | 86.3 | Confident | 80.5 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.1 | -170.2 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | L196 V211 L221 R222 | L196-V300 HydrophobicContact CD1-CG1 4.4Å; L196-V300 HydrophobicContact CD1-CG2 3.87Å; V211-V300 HydrophobicContact CG2-CG1 4.26Å; L221-V300 HydrophobicContact CB-CG1 4Å; L221-V300 HydrophobicContact CD2-CG1 4.31Å; R222-V300 WeakPolarHBondContact O-CA 3.47Å |
| 301 | E | 88.2 | Confident | 78.3 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.6 | 163.2 | -55.7 | 179.3 | 140 | 0 | 0 | 108.6 | R222 R656 | R222-E301 HydrophobicContact CB-CB 4.28Å; R222-E301 PolarHBondContact N-O 3.23Å; R222-E301 PolarHBondContact O-N 3.38Å; E301-R656 VanDerWaalsContact CD-NH1 3.32Å; E301-R656 IonicContact OE1-CZ 3.78Å; E301-R656 IonicContact OE1-NH1 3.94Å; E301-R656 PolarHBondContact OE1-NH1 2.82Å; E301-R656 IonicContact OE1-NH2 3.32Å; E301-R656 PolarHBondContact OE1-NH2 3.06Å; E301-R656 IonicContact OE2-CZ 3.38Å; E301-R656 IonicContact OE2-NH1 3.29Å; E301-R656 PolarHBondContact OE2-NH1 3.36Å; E301-R656 IonicContact OE2-NH2 2.69Å; E301-R656 PolarHBondContact OE2-NH2 3.35Å |
| 302 | S | 89.7 | Confident | 76.2 | Confident | 58 Ų | 58 | 74 Ų | 74 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.2 | 175.2 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 303 | I | 90.4 | Very high | 73.7 | Confident | 57 Ų | 57 | 80.4 Ų | 80.4 | 29% | 0.292 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.8 | 178.9 | -54.7 | 173.5 | 0 | 0 | 0 | 108.3 | M220 Q305 | M220-I303 HydrophobicContact CB-CB 4.35Å; M220-I303 PolarHBondContact N-O 2.89Å; M220-I303 PolarHBondContact O-N 2.87Å; I303-Q305 HydrophobicContact CG2-CG 4.3Å |
| 304 | T | 89.5 | Confident | 71.2 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126 | -178.7 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | F217 H218 | F217-T304 HydrophobicContact CB-CG2 3.5Å; F217-T304 VanDerWaalsContact CB-CG2 3.5Å; F217-T304 HydrophobicContact CD1-CG2 3.91Å; F217-T304 HydrophobicContact CG-CG2 3.74Å; H218-T304 WeakPolarHBondContact O-CA 3.24Å |
| 305 | Q | 85.1 | Confident | 68.9 | Low | 117 Ų | 117 | 87.9 Ų | 87.9 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.9 | -178.5 | -60.4 | -174.6 | 6.7 | 0 | 0 | 110.7 | F217 H218 I303 L307 | F217-Q305 CarbonylContact C-O 3.53Å; F217-Q305 WeakPolarHBondContact CA-O 3.37Å; H218-Q305 PolarHBondContact N-O 3.13Å; H218-Q305 PolarHBondContact O-N 2.88Å; I303-Q305 HydrophobicContact CG2-CG 4.3Å; Q305-L307 PolarHBondContact O-N 2.8Å |
| 306 | A | 80.2 | Confident | 66.8 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F217 K308 | F217-A306 HydrophobicContact CD1-CB 4.15Å; F217-A306 HydrophobicContact CE1-CB 4.1Å; A306-K308 PolarHBondContact O-N 3.25Å; A306-K308 VanDerWaalsContact O-N 3.12Å |
| 307 | L | 68 | Low | 64.8 | Low | 99 Ų | 99 | 94.7 Ų | 94.7 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | trans | -66.5 | 112.7 | 176.1 | -77.7 | 161.3 | 0 | 0 | 0 | 109.7 | T216 H218 Q305 S309 | T216-L307 PolarHBondContact O-N 3.39Å; H218-L307 HydrophobicContact CB-CD2 4.18Å; H218-L307 HydrophobicContact CB-CG 4.44Å; Q305-L307 PolarHBondContact O-N 2.8Å; L307-S309 PolarHBondContact O-N 2.98Å | ||
| 308 | K | 57.3 | Low | 62.7 | Low | 163 Ų | 163 | 98.9 Ų | 98.9 | 71% | 0.709 | 54% | 0.541 | S | S | * | . | trans | -56.1 | 121.7 | 178.2 | -175.8 | 173.5 | -178.4 | 175.2 | 0 | 109.7 | A306 | A306-K308 PolarHBondContact O-N 3.25Å; A306-K308 VanDerWaalsContact O-N 3.12Å | ||
| 309 | S | 54.6 | Low | 60.5 | Low | 72 Ų | 72 | 102.6 Ų | 102.6 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | trans | -53.5 | 135.6 | -175.2 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | L307 L311 | L307-S309 PolarHBondContact O-N 2.98Å; S309-L311 PolarHBondContact O-N 2.91Å | ||
| 310 | P | 53.2 | Low | 58.4 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 60% | 0.597 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -70.8 | 7.8 | -169.7 | 28.1 | -36.2 | 0 | 0 | 0 | 115.6 | L312 F313 | P310-L312 PolarHBondContact O-N 3.47Å; P310-F313 PolarHBondContact O-N 3.32Å |
| 311 | L | 45.6 | Very low | 56.3 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 81% | 0.806 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -59.8 | -9.1 | 179.1 | -62.1 | 176.9 | 0 | 0 | 0 | 114.7 | S309 | S309-L311 PolarHBondContact O-N 2.91Š|
| 312 | L | 41.8 | Very low | 53.8 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -116.5 | 8.8 | 174.1 | -64.1 | 175.3 | 0 | 0 | 0 | 113.8 | P310 | P310-L312 PolarHBondContact O-N 3.47Š|
| 313 | F | 37 | Very low | 51.7 | Low | 141 Ų | 141 | 110.7 Ų | 110.7 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | trans | -133.3 | 84.9 | 178.7 | -80.6 | -73.9 | 0 | 0 | 0 | 111.7 | P310 H315 | P310-F313 PolarHBondContact O-N 3.32Å; F313-H315 PolarHBondContact O-N 2.9Å | ||
| 314 | T | 34.7 | Very low | 49.4 | Very low | 140 Ų | 140 | 113.4 Ų | 113.4 | 86% | 0.859 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 17 | 178.8 | 49.6 | 0 | 0 | 0 | 0 | 115 | ||
| 315 | H | 36.4 | Very low | 47 | Very low | 168 Ų | 168 | 116 Ų | 116 | 78% | 0.778 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -3.6 | -161 | -126.9 | -62.1 | 0 | 0 | 0 | 116.6 | F313 | F313-H315 PolarHBondContact O-N 2.9Š|
| 316 | S | 37.6 | Very low | 44.9 | Very low | 58 Ų | 58 | 115 Ų | 115 | 41% | 0.406 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -102.9 | -10.7 | -173.6 | 54.9 | 0 | 0 | 0 | 0 | 115.8 | N318 L319 | S316-N318 VanDerWaalsContact C-N 3.26Å; S316-N318 PolarHBondContact O-N 3.47Å; S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.22Å |
| 317 | L | 39 | Very low | 43 | Very low | 142 Ų | 142 | 115.3 Ų | 115.3 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.8 | -29.3 | -178.1 | -77.2 | 164.5 | 0 | 0 | 0 | 113.6 | L319 | L317-L319 PolarHBondContact O-N 3.46Å |
| 318 | N | 36.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.9 | -2.4 | 173.8 | -76 | -24.1 | 0 | 0 | 0 | 114.4 | S316 T321 | S316-N318 VanDerWaalsContact C-N 3.26Å; S316-N318 PolarHBondContact O-N 3.47Å; N318-T321 PolarHBondContact O-OG1 3.13Å |
| 319 | L | 37.2 | Very low | 40.7 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -79.6 | -39.4 | 175.6 | -147 | 78.6 | 0 | 0 | 0 | 111.4 | S316 L317 T321 K322 I323 | S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.22Å; L317-L319 PolarHBondContact O-N 3.46Å; L319-T321 VanDerWaalsContact C-N 3.35Å; L319-T321 PolarHBondContact O-N 3.13Å; L319-K322 PolarHBondContact O-N 3.39Å; L319-I323 HydrophobicContact CD2-CD1 3.81Å; L319-I323 HydrophobicContact CG-CD1 3.73Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CB 3.28Å; L319-I323 VanDerWaalsContact O-CG1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.37Å |
| 320 | F | 38.1 | Very low | 40 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67 | -33.4 | -179.6 | -76.9 | -82.8 | 0 | 0 | 0 | 113 | L643 | F320-L643 HydrophobicContact CE1-CD1 4.23Å; F320-L643 HydrophobicContact CZ-CD1 4.43Å |
| 321 | T | 41.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 118.3 Ų | 118.3 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.6 | -38.2 | 175 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | N318 L319 | N318-T321 PolarHBondContact O-OG1 3.13Å; L319-T321 VanDerWaalsContact C-N 3.35Å; L319-T321 PolarHBondContact O-N 3.13Å |
| 322 | K | 37 | Very low | 38.5 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.4 | -39.7 | 179 | -78.7 | -169.8 | 169.5 | -172.2 | 0 | 114.4 | L319 N324 Q325 T326 | L319-K322 PolarHBondContact O-N 3.39Å; K322-N324 VanDerWaalsContact C-N 3.29Å; K322-N324 PolarHBondContact O-N 2.76Å; K322-Q325 PolarHBondContact O-N 3.41Å; K322-T326 PolarHBondContact O-N 3.35Å; K322-T326 PolarHBondContact O-OG1 3.34Å |
| 323 | I | 45.2 | Very low | 37.9 | Very low | 46 Ų | 46 | 116.2 Ų | 116.2 | 24% | 0.236 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -62.3 | -37.7 | -179.6 | -72.6 | 170.1 | 0 | 0 | 0 | 111.5 | L319 Q325 T326 | L319-I323 HydrophobicContact CD2-CD1 3.81Å; L319-I323 HydrophobicContact CG-CD1 3.73Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CB 3.28Å; L319-I323 VanDerWaalsContact O-CG1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.37Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 2.86Å; I323-T326 PolarHBondContact O-OG1 2.66Å |
| 324 | N | 41.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.1 | -19.3 | 179.2 | -74.6 | -1.3 | 0 | 0 | 0 | 113.7 | K322 | K322-N324 VanDerWaalsContact C-N 3.29Å; K322-N324 PolarHBondContact O-N 2.76Å |
| 325 | Q | 40.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -81.4 | -48.8 | 173.1 | -70.6 | 179.2 | -46.2 | 0 | 0 | 111.2 | K322 I323 N327 F328 | K322-Q325 PolarHBondContact O-N 3.41Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 2.86Å; Q325-N327 VanDerWaalsContact C-N 3.27Å; Q325-N327 PolarHBondContact O-N 3.37Å; Q325-F328 PolarHBondContact O-N 3.29Å; Q325-F328 VanDerWaalsContact O-N 3.1Å |
| 326 | T | 40.8 | Very low | 36.8 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68 | -21.2 | -171.7 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | K322 I323 | K322-T326 PolarHBondContact O-N 3.35Å; K322-T326 PolarHBondContact O-OG1 3.34Å; I323-T326 PolarHBondContact O-OG1 2.66Å |
| 327 | N | 39.8 | Very low | 36.3 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 44% | 0.444 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | -13 | 175.1 | -71.5 | -23.2 | 0 | 0 | 0 | 113.9 | Q325 | Q325-N327 VanDerWaalsContact C-N 3.27Å; Q325-N327 PolarHBondContact O-N 3.37Å |
| 328 | F | 39.7 | Very low | 35.7 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -29.4 | -174.5 | -133.1 | -82.8 | 0 | 0 | 0 | 113.3 | Q325 L330 N331 L379 F385 | Q325-F328 PolarHBondContact O-N 3.29Å; Q325-F328 VanDerWaalsContact O-N 3.1Å; F328-L330 PolarHBondContact O-N 2.92Å; F328-N331 PolarHBondContact O-N 3.21Å; F328-L379 HydrophobicContact CD1-CD2 4.32Å; F328-L379 HydrophobicContact CE1-CD2 4.41Å; F328-F385 HydrophobicContact CD2-CZ 4.44Å; F328-F385 HydrophobicContact CE1-CE1 4.33Å; F328-F385 AromaticContact CE1-CZ 3.88Å; F328-F385 HydrophobicContact CE1-CZ 3.88Å; F328-F385 AromaticContact CE2-CE1 3.64Å; F328-F385 HydrophobicContact CE2-CE1 3.64Å; F328-F385 AromaticContact CE2-CZ 3.81Å; F328-F385 HydrophobicContact CE2-CZ 3.81Å; F328-F385 AromaticContact CZ-CE1 3.5Å; F328-F385 HydrophobicContact CZ-CE1 3.5Å; F328-F385 VanDerWaalsContact CZ-CE1 3.5Å; F328-F385 AromaticContact CZ-CZ 3.5Å; F328-F385 HydrophobicContact CZ-CZ 3.5Å; F328-F385 VanDerWaalsContact CZ-CZ 3.5Å |
| 329 | E | 37.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -19.9 | -179.7 | -66.3 | -173.5 | 140.9 | 0 | 0 | 113.8 | ||
| 330 | L | 39.1 | Very low | 35 | Very low | 145 Ų | 145 | 120.4 Ų | 120.4 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -24.7 | 172.7 | -103.7 | 77.9 | 0 | 0 | 0 | 114.5 | F328 | F328-L330 PolarHBondContact O-N 2.92Š|
| 331 | N | 34.9 | Very low | 34.6 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -81.3 | -15.3 | -175.3 | -91.2 | -3.1 | 0 | 0 | 0 | 113.8 | F328 N333 F334 | F328-N331 PolarHBondContact O-N 3.21Å; N331-N333 PolarHBondContact O-N 2.94Å; N331-N333 VanDerWaalsContact O-N 3.08Å; N331-F334 PolarHBondContact O-N 3.23Å |
| 332 | N | 32.4 | Very low | 33.9 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -69 | -2.7 | -179.6 | -71.8 | -23.3 | 0 | 0 | 0 | 114.7 | ||
| 333 | N | 29.9 | Very low | 33.5 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -100.7 | -1.7 | 178.5 | -74.6 | -18.1 | 0 | 0 | 0 | 114.4 | N331 Q335 | N331-N333 PolarHBondContact O-N 2.94Å; N331-N333 VanDerWaalsContact O-N 3.08Å; N333-Q335 PolarHBondContact O-N 3.36Å |
| 334 | F | 28.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 77% | 0.768 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -80.3 | 119.5 | 172.2 | -132.5 | -90.6 | 0 | 0 | 0 | 109.5 | N331 L336 | N331-F334 PolarHBondContact O-N 3.23Å; F334-L336 PolarHBondContact O-N 2.68Å; F334-L336 VanDerWaalsContact O-N 3.13Å |
| 335 | Q | 28.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -62.1 | 116.7 | -174.7 | -73.5 | 171.3 | -105.8 | 0 | 0 | 111 | N333 S337 | N333-Q335 PolarHBondContact O-N 3.36Å; Q335-S337 PolarHBondContact O-N 2.83Å | ||
| 336 | L | 27.8 | Very low | 31.6 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -64.6 | 104.6 | 170.5 | -171.7 | 77 | 0 | 0 | 0 | 108.5 | F334 T338 | F334-L336 PolarHBondContact O-N 2.68Å; F334-L336 VanDerWaalsContact O-N 3.13Å; L336-T338 WeakPolarHBondContact O-CG2 3.42Å; L336-T338 PolarHBondContact O-N 2.84Å | ||
| 337 | S | 26.3 | Very low | 31.1 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | -56.6 | 119.1 | 178.8 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | Q335 D339 | Q335-S337 PolarHBondContact O-N 2.83Å; S337-D339 PolarHBondContact O-N 2.93Å | ||
| 338 | T | 27.6 | Very low | 30.5 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 39.3 | -156.8 | 44.4 | 0 | 0 | 0 | 0 | 115.9 | L336 | L336-T338 WeakPolarHBondContact O-CG2 3.42Å; L336-T338 PolarHBondContact O-N 2.84Å |
| 339 | D | 28.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -18.2 | -179.1 | -61.3 | -53.6 | 0 | 0 | 0 | 113.8 | S337 | S337-D339 PolarHBondContact O-N 2.93Š|
| 340 | Q | 30.5 | Very low | 29.4 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 4.7 | 179.4 | -68.7 | -162.2 | -32.9 | 0 | 0 | 115.2 | ||
| 341 | Q | 29.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -5.7 | 174.1 | -80.3 | -167.2 | -16.9 | 0 | 0 | 114.9 | ||
| 342 | Q | 28.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -92.2 | -17.8 | -177.6 | -130.4 | 176.9 | 15.7 | 0 | 0 | 115.1 | ||
| 343 | F | 28.6 | Very low | 28.3 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -88 | -24.9 | -178.7 | -111.5 | -93 | 0 | 0 | 0 | 115.2 | N345 | F343-N345 VanDerWaalsContact C-N 3.3Å; F343-N345 PolarHBondContact O-N 3.13Å |
| 344 | N | 30.2 | Very low | 28.1 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 4.2 | -178.1 | -82 | -18.4 | 0 | 0 | 0 | 115.1 | ||
| 345 | N | 28.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 18.1 | 179.9 | -81.9 | -40.8 | 0 | 0 | 0 | 114 | F343 | F343-N345 VanDerWaalsContact C-N 3.3Å; F343-N345 PolarHBondContact O-N 3.13Å |
| 346 | K | 27.2 | Very low | 28.2 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -113.7 | 10 | -179.6 | -143.1 | 173.7 | -176.2 | 178.3 | 0 | 115.1 | ||
| 347 | I | 29.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124.2 | 44.4 | 172.1 | -41.2 | -176.8 | 0 | 0 | 0 | 110.7 | ||
| 348 | T | 28 | Very low | 28.6 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -133.4 | 22.4 | 179.9 | 32.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 349 | S | 26.9 | Very low | 28.9 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -150 | 32.2 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 350 | K | 26.3 | Very low | 29.2 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -158.1 | 82.2 | 166.9 | -114.1 | 163.3 | -172 | 178.2 | 0 | 114.3 | ||
| 351 | N | 29.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | 177.3 | 112.3 | 133.4 | -89.7 | -19.4 | 0 | 0 | 0 | 110.4 | ||||
| 352 | Q | 27.9 | Very low | 29.7 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -101.1 | 158.8 | 178.2 | -78.2 | -171.5 | -6.3 | 0 | 0 | 112 | ||||
| 353 | K | 26 | Very low | 29.8 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 68% | 0.683 | 72% | 0.72 | S | S | * | * | trans | 62.9 | 97.7 | 152.8 | -69.8 | 164.2 | -179.5 | 178.9 | 0 | 118.4 | R442 | K353-R442 PolarHBondContact O-NH1 3.19Š| ||
| 354 | S | 26.4 | Very low | 30 | Very low | 58 Ų | 58 | 134.4 Ų | 134.4 | 41% | 0.406 | 72% | 0.72 | S | S | . | * | 161.1 | 121.4 | 105.5 | -77.6 | 0 | 0 | 0 | 0 | 109.5 | Y438 R442 | S354-Y438 WeakPolarHBondContact CB-OH 3.41Å; S354-Y438 PolarHBondContact O-OH 3.09Å; S354-R442 PolarHBondContact OG-NH2 3Å | |||
| 355 | A | 29.4 | Very low | 30.1 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | 73.2 | 135 | 67.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 356 | T | 27.9 | Very low | 30.3 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 52% | 0.521 | 72% | 0.715 | S | S | . | * | cis | -168.8 | 158.1 | 10.9 | -2.1 | 0 | 0 | 0 | 0 | 112.5 | R445 | T356-R445 PolarHBondContact O-NH1 3.27Š| ||
| 357 | V | 31.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 74.7 | 139.2 | 150.6 | 159.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 358 | S | 32.3 | Very low | 30.8 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | cis | -155.5 | 167.4 | -5.2 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 359 | D | 34.4 | Very low | 31.1 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | -178.9 | 142.6 | 109.3 | -82.2 | -5 | 0 | 0 | 0 | 113 | |||||
| 360 | D | 34 | Very low | 31.6 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | trans | 52.6 | 112.4 | 158.3 | -72.8 | -1.1 | 0 | 0 | 0 | 126.7 | ||||
| 361 | I | 36 | Very low | 32 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | 90.9 | 120.1 | 120.4 | -66.2 | 171 | 0 | 0 | 0 | 122.4 | |||||
| 362 | S | 33.9 | Very low | 32.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | 65.8 | 108.1 | 150.8 | 73.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 363 | D | 31.4 | Very low | 32.4 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | 83.5 | 140 | 122.7 | -91.4 | -42.8 | 0 | 0 | 0 | 125.7 | |||||
| 364 | Y | 31.4 | Very low | 32.7 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | 54.6 | 136.7 | 157.3 | -96.8 | -108.7 | 0 | 0 | 0 | 120.5 | ||||
| 365 | D | 33.1 | Very low | 33 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | cis | -162.6 | 125.6 | -17.1 | 169.1 | 20.3 | 0 | 0 | 0 | 108 | N367 | D365-N367 PolarHBondContact O-N 2.71Š| ||
| 366 | P | 32 | Very low | 33.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -96.4 | 80 | -165.6 | 37.3 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 367 | N | 32 | Very low | 33.4 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -146.6 | 87.2 | 170.2 | -96.7 | -58.2 | 0 | 0 | 0 | 115.8 | D365 | D365-N367 PolarHBondContact O-N 2.71Š| ||
| 368 | S | 36.4 | Very low | 33.4 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -156.3 | 91.8 | 153.9 | -155.7 | 0 | 0 | 0 | 0 | 112.9 | N370 | S368-N370 PolarHBondContact O-N 3.29Š| ||
| 369 | N | 33.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -76 | 116.7 | 172.1 | -78.3 | -48.1 | 0 | 0 | 0 | 110.7 | ||||
| 370 | N | 37.4 | Very low | 33.2 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -147.1 | 97.6 | 166.3 | -102.1 | -63.6 | 0 | 0 | 0 | 112 | S368 K372 | S368-N370 PolarHBondContact O-N 3.29Å; N370-K372 PolarHBondContact O-N 2.79Å | ||
| 371 | H | 34 | Very low | 33.5 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -60.8 | 121.8 | 171.5 | -84.9 | -86.4 | 0 | 0 | 0 | 111.4 | ||||
| 372 | K | 36.1 | Very low | 33.9 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -135.1 | 142.6 | 155.1 | -71.3 | -168.3 | 177.1 | 176.9 | 0 | 110.6 | N370 | N370-K372 PolarHBondContact O-N 2.79Š| ||
| 373 | N | 31.7 | Very low | 34.5 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -75.9 | 147.4 | -164.1 | -66.6 | -50.3 | 0 | 0 | 0 | 113.5 | K375 | N373-K375 PolarHBondContact O-N 3.02Š| ||
| 374 | P | 32 | Very low | 35.5 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -78.1 | 66.5 | 173.7 | 34.1 | -36.3 | 0 | 0 | 0 | 111.8 | ||
| 375 | K | 32.5 | Very low | 36.9 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | -146.1 | 71.5 | 172 | -73 | -165.6 | 177.1 | -174.2 | 0 | 111.3 | N373 | N373-K375 PolarHBondContact O-N 3.02Š| ||
| 376 | D | 30.3 | Very low | 38.7 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -171.9 | 58.7 | 163 | -114.6 | -6.1 | 0 | 0 | 0 | 112.2 | K378 | D376-K378 VanDerWaalsContact C-N 3.32Å; D376-K378 PolarHBondContact O-N 3.46Å | ||
| 377 | L | 34.6 | Very low | 40.5 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 97% | 0.974 | 70% | 0.703 | S | S | * | * | trans | -79.5 | 79.7 | 176.2 | -161 | 78.7 | 0 | 0 | 0 | 110.7 | L379 | L377-L379 PolarHBondContact O-N 3.23Š| ||
| 378 | K | 31.5 | Very low | 42.8 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | -62.3 | 128.6 | 178.8 | -71.8 | -176.7 | 177.4 | 177.4 | 0 | 111.3 | D376 N380 | D376-K378 VanDerWaalsContact C-N 3.32Å; D376-K378 PolarHBondContact O-N 3.46Å; K378-N380 VanDerWaalsContact C-N 3.26Å; K378-N380 PolarHBondContact O-N 2.99Å | ||
| 379 | L | 32.3 | Very low | 44.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | trans | -72.6 | 70.8 | -174.3 | -171.5 | 71.5 | 0 | 0 | 0 | 112.3 | F328 L377 | F328-L379 HydrophobicContact CD1-CD2 4.32Å; F328-L379 HydrophobicContact CE1-CD2 4.41Å; L377-L379 PolarHBondContact O-N 3.23Å | ||
| 380 | N | 29.8 | Very low | 46.8 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | trans | -103.7 | 119.4 | 175.8 | -78.5 | -14.1 | 0 | 0 | 0 | 111.1 | K378 | K378-N380 VanDerWaalsContact C-N 3.26Å; K378-N380 PolarHBondContact O-N 2.99Å | ||
| 381 | Q | 41 | Very low | 49 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | trans | 131.2 | 130.2 | 146.3 | -72.6 | 167.9 | -16.4 | 0 | 0 | 114.4 | E383 | Q381-E383 PolarHBondContact O-N 3.42Š| ||
| 382 | P | 44.1 | Very low | 51.4 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.8 | -13.1 | 176.6 | 30.7 | -35.8 | 0 | 0 | 0 | 113.8 | Q384 F385 L386 | P382-Q384 PolarHBondContact O-N 2.85Å; P382-F385 PolarHBondContact O-N 2.86Å; P382-L386 PolarHBondContact O-N 2.87Å |
| 383 | E | 47.7 | Very low | 53.8 | Low | 139 Ų | 139 | 115.9 Ų | 115.9 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -36.5 | -176 | -58 | -170.9 | 152.7 | 0 | 0 | 112.7 | Q381 F385 L386 H387 | Q381-E383 PolarHBondContact O-N 3.42Å; E383-F385 PolarHBondContact O-N 3.07Å; E383-L386 PolarHBondContact O-N 3.41Å; E383-H387 PolarHBondContact O-N 3.32Å |
| 384 | Q | 52.5 | Low | 56.3 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 177.8 | -63.3 | -173.8 | 5.3 | 0 | 0 | 111.6 | P382 L386 H387 I388 | P382-Q384 PolarHBondContact O-N 2.85Å; Q384-L386 PolarHBondContact O-N 2.9Å; Q384-H387 PolarHBondContact O-N 3.31Å; Q384-I388 WeakPolarHBondContact O-CG1 3.39Å; Q384-I388 PolarHBondContact O-N 3.11Å |
| 385 | F | 59.2 | Low | 59 | Low | 94 Ų | 94 | 106 Ų | 106 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.2 | -72.4 | -80 | 0 | 0 | 0 | 112.3 | F328 P382 E383 H387 I388 Y389 | F328-F385 HydrophobicContact CD2-CZ 4.44Å; F328-F385 HydrophobicContact CE1-CE1 4.33Å; F328-F385 AromaticContact CE1-CZ 3.88Å; F328-F385 HydrophobicContact CE1-CZ 3.88Å; F328-F385 AromaticContact CE2-CE1 3.64Å; F328-F385 HydrophobicContact CE2-CE1 3.64Å; F328-F385 AromaticContact CE2-CZ 3.81Å; F328-F385 HydrophobicContact CE2-CZ 3.81Å; F328-F385 AromaticContact CZ-CE1 3.5Å; F328-F385 HydrophobicContact CZ-CE1 3.5Å; F328-F385 VanDerWaalsContact CZ-CE1 3.5Å; F328-F385 AromaticContact CZ-CZ 3.5Å; F328-F385 HydrophobicContact CZ-CZ 3.5Å; F328-F385 VanDerWaalsContact CZ-CZ 3.5Å; P382-F385 PolarHBondContact O-N 2.86Å; E383-F385 PolarHBondContact O-N 3.07Å; F385-H387 VanDerWaalsContact C-N 3.31Å; F385-H387 PolarHBondContact O-N 2.78Å; F385-I388 PolarHBondContact O-N 3.44Å; F385-Y389 WeakPolarHBondContact O-CB 3.44Å; F385-Y389 PolarHBondContact O-N 2.96Å |
| 386 | L | 71.3 | Confident | 61.7 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 176.7 | -173.8 | 64.5 | 0 | 0 | 0 | 111.9 | P382 E383 Q384 R390 P637 | P382-L386 PolarHBondContact O-N 2.87Å; E383-L386 PolarHBondContact O-N 3.41Å; Q384-L386 PolarHBondContact O-N 2.9Å; L386-R390 WeakPolarHBondContact O-CB 3.26Å; L386-R390 PolarHBondContact O-N 3.48Å; L386-P637 HydrophobicContact CD1-CG 4.01Å |
| 387 | H | 71.2 | Confident | 64.4 | Low | 133 Ų | 133 | 92.8 Ų | 92.8 | 62% | 0.616 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 175.6 | -173.3 | -82.1 | 0 | 0 | 0 | 112.3 | E383 Q384 F385 R390 K391 | E383-H387 PolarHBondContact O-N 3.32Å; Q384-H387 PolarHBondContact O-N 3.31Å; F385-H387 VanDerWaalsContact C-N 3.31Å; F385-H387 PolarHBondContact O-N 2.78Å; H387-R390 PolarHBondContact O-N 3.1Å; H387-K391 PolarHBondContact O-N 2.85Å; H387-K391 VanDerWaalsContact O-N 3.09Å |
| 388 | I | 78.5 | Confident | 66.9 | Low | 95 Ų | 95 | 84.4 Ų | 84.4 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 177 | -67.7 | 163.7 | 0 | 0 | 0 | 110.3 | Q384 F385 R390 K391 E392 | Q384-I388 WeakPolarHBondContact O-CG1 3.39Å; Q384-I388 PolarHBondContact O-N 3.11Å; F385-I388 PolarHBondContact O-N 3.44Å; I388-R390 PolarHBondContact O-N 2.85Å; I388-K391 WeakPolarHBondContact O-CA 3.23Å; I388-K391 WeakPolarHBondContact O-CB 3.41Å; I388-K391 PolarHBondContact O-N 3.22Å; I388-E392 PolarHBondContact O-N 3.09Å |
| 389 | Y | 77 | Confident | 69.8 | Low | 36 Ų | 36 | 77 Ų | 77 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68 | -33.9 | -177.8 | -175.4 | -104 | 0 | 0 | 0 | 113 | D176 Y180 F385 K391 E392 I393 I641 | D176-Y389 PolarHBondContact OD2-OH 2.96Å; Y180-Y389 HydrophobicContact CE1-CE2 4.21Å; F385-Y389 WeakPolarHBondContact O-CB 3.44Å; F385-Y389 PolarHBondContact O-N 2.96Å; Y389-K391 VanDerWaalsContact C-N 3.31Å; Y389-K391 PolarHBondContact O-N 3.15Å; Y389-E392 PolarHBondContact O-N 3.32Å; Y389-I393 HydrophobicContact CD1-CD1 3.89Å; Y389-I393 HydrophobicContact CE1-CD1 3.44Å; Y389-I393 VanDerWaalsContact CE1-CD1 3.44Å; Y389-I393 HydrophobicContact CE1-CG1 4.27Å; Y389-I393 PolarHBondContact O-N 3.5Å; Y389-I393 VanDerWaalsContact O-N 3.1Å; Y389-I641 HydrophobicContact CD1-CD1 4.39Å; Y389-I641 HydrophobicContact CE1-CD1 3.6Å; Y389-I641 HydrophobicContact CE1-CG1 3.66Å |
| 390 | R | 78.8 | Confident | 72.6 | Confident | 140 Ų | 140 | 73.9 Ų | 73.9 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 168.9 | -179.1 | -178.4 | -70.3 | 179 | -0.4 | 111.6 | L386 H387 I388 W394 | L386-R390 WeakPolarHBondContact O-CB 3.26Å; L386-R390 PolarHBondContact O-N 3.48Å; H387-R390 PolarHBondContact O-N 3.1Å; I388-R390 PolarHBondContact O-N 2.85Å; R390-W394 WeakPolarHBondContact O-CB 3.48Å; R390-W394 PolarHBondContact O-N 2.86Å; R390-W394 VanDerWaalsContact O-N 3.09Å |
| 391 | K | 83.9 | Confident | 75.5 | Confident | 118 Ų | 118 | 69.1 Ų | 69.1 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177 | -172.2 | 174.8 | -178.5 | 174.7 | 0 | 111.9 | H387 I388 Y389 W394 N395 | H387-K391 PolarHBondContact O-N 2.85Å; H387-K391 VanDerWaalsContact O-N 3.09Å; I388-K391 WeakPolarHBondContact O-CA 3.23Å; I388-K391 WeakPolarHBondContact O-CB 3.41Å; I388-K391 PolarHBondContact O-N 3.22Å; Y389-K391 VanDerWaalsContact C-N 3.31Å; Y389-K391 PolarHBondContact O-N 3.15Å; K391-W394 PolarHBondContact O-N 3.33Å; K391-N395 VanDerWaalsContact O-CB 3.3Å; K391-N395 WeakPolarHBondContact O-CB 3.29Å; K391-N395 PolarHBondContact O-N 2.98Å |
| 392 | E | 84.3 | Confident | 78 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 173.7 | -70.9 | -172.4 | -177.9 | 0 | 0 | 112.4 | Y180 I388 Y389 W394 N395 G396 | Y180-E392 HydrophobicContact CE2-CB 3.93Å; Y180-E392 PolarHBondContact OH-OE2 2.91Å; I388-E392 PolarHBondContact O-N 3.09Å; Y389-E392 PolarHBondContact O-N 3.32Å; E392-W394 VanDerWaalsContact C-N 3.31Å; E392-W394 PolarHBondContact O-N 3.01Å; E392-N395 PolarHBondContact O-N 3.25Å; E392-G396 PolarHBondContact O-N 3.47Å |
| 393 | I | 85.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 177.8 | -71.4 | 170.7 | 0 | 0 | 0 | 111 | Y180 Y389 G396 L397 P637 L640 | Y180-I393 HydrophobicContact CD1-CG1 3.71Å; Y180-I393 HydrophobicContact CD2-CG1 4.4Å; Y180-I393 HydrophobicContact CE1-CG1 3.92Å; Y180-I393 HydrophobicContact CG-CB 4.37Å; Y180-I393 HydrophobicContact CG-CG1 3.97Å; Y389-I393 HydrophobicContact CD1-CD1 3.89Å; Y389-I393 HydrophobicContact CE1-CD1 3.44Å; Y389-I393 VanDerWaalsContact CE1-CD1 3.44Å; Y389-I393 HydrophobicContact CE1-CG1 4.27Å; Y389-I393 PolarHBondContact O-N 3.5Å; Y389-I393 VanDerWaalsContact O-N 3.1Å; I393-G396 PolarHBondContact O-N 2.77Å; I393-L397 WeakPolarHBondContact O-CB 3.49Å; I393-L397 PolarHBondContact O-N 2.91Å; I393-P637 HydrophobicContact CD1-CB 4.37Å; I393-L640 HydrophobicContact CG2-CD1 3.86Å |
| 394 | W | 84.2 | Confident | 82.5 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -40.5 | -176.4 | -174.1 | 92.2 | 0 | 0 | 0 | 112.5 | R390 K391 E392 L397 L398 L511 V512 | R390-W394 WeakPolarHBondContact O-CB 3.48Å; R390-W394 PolarHBondContact O-N 2.86Å; R390-W394 VanDerWaalsContact O-N 3.09Å; K391-W394 PolarHBondContact O-N 3.33Å; E392-W394 VanDerWaalsContact C-N 3.31Å; E392-W394 PolarHBondContact O-N 3.01Å; W394-L397 PolarHBondContact O-N 3.09Å; W394-L398 HydrophobicContact CD2-CD1 4.45Å; W394-L398 HydrophobicContact CE3-CD1 4.08Å; W394-L398 HydrophobicContact CE3-CG 4.45Å; W394-L398 HydrophobicContact CH2-CD1 3.26Å; W394-L398 HydrophobicContact CH2-CG 4.24Å; W394-L398 HydrophobicContact CZ2-CD1 3.7Å; W394-L398 HydrophobicContact CZ2-CG 4.3Å; W394-L398 HydrophobicContact CZ3-CD1 3.47Å; W394-L398 VanDerWaalsContact CZ3-CD1 3.47Å; W394-L398 HydrophobicContact CZ3-CG 4.31Å; W394-L398 PolarHBondContact O-N 3.23Å; W394-L398 VanDerWaalsContact O-N 3.1Å; W394-L511 HydrophobicContact CH2-CB 3.39Å; W394-L511 WeakPolarHBondContact CH2-O 3.21Å; W394-L511 HydrophobicContact CZ2-CB 3.79Å; W394-L511 HydrophobicContact CZ2-CD1 4.43Å; W394-L511 VanDerWaalsContact CZ3-C 3.49Å; W394-L511 HydrophobicContact CZ3-CB 4.19Å; W394-L511 WeakPolarHBondContact CZ3-O 3.39Å; W394-V512 HydrophobicContact CH2-CG2 4.32Å |
| 395 | N | 88.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 172.2 | -78.6 | -5.6 | 0 | 0 | 0 | 111.7 | I82 K391 E392 L398 L399 | I82-N395 HydrophobicContact CD1-CB 4.05Å; K391-N395 VanDerWaalsContact O-CB 3.3Å; K391-N395 WeakPolarHBondContact O-CB 3.29Å; K391-N395 PolarHBondContact O-N 2.98Å; E392-N395 PolarHBondContact O-N 3.25Å; N395-L398 PolarHBondContact O-N 3.01Å; N395-L399 PolarHBondContact O-N 3.17Å |
| 396 | G | 89 | Confident | 86.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y180 E392 I393 L398 L399 Q400 | Y180-G396 CarbonylContact O-C 3.52Å; Y180-G396 WeakPolarHBondContact O-CA 3.48Å; E392-G396 PolarHBondContact O-N 3.47Å; I393-G396 PolarHBondContact O-N 2.77Å; G396-L398 PolarHBondContact O-N 3.46Å; G396-L399 PolarHBondContact O-N 3.17Å; G396-L399 VanDerWaalsContact O-N 3.12Å; G396-Q400 WeakPolarHBondContact O-CG 3.44Å; G396-Q400 PolarHBondContact O-N 3.49Å |
| 397 | L | 87.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 175.7 | 176.9 | 67.9 | 0 | 0 | 0 | 113 | I393 W394 Q400 T401 | I393-L397 WeakPolarHBondContact O-CB 3.49Å; I393-L397 PolarHBondContact O-N 2.91Å; W394-L397 PolarHBondContact O-N 3.09Å; L397-Q400 PolarHBondContact O-N 3.26Å; L397-T401 PolarHBondContact O-N 3.05Å; L397-T401 PolarHBondContact O-OG1 2.97Å |
| 398 | L | 88.9 | Confident | 88.1 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.4 | -76.2 | -165.7 | 0 | 0 | 0 | 111.9 | W394 N395 G396 T401 W402 V512 I519 R523 | W394-L398 HydrophobicContact CD2-CD1 4.45Å; W394-L398 HydrophobicContact CE3-CD1 4.08Å; W394-L398 HydrophobicContact CE3-CG 4.45Å; W394-L398 HydrophobicContact CH2-CD1 3.26Å; W394-L398 HydrophobicContact CH2-CG 4.24Å; W394-L398 HydrophobicContact CZ2-CD1 3.7Å; W394-L398 HydrophobicContact CZ2-CG 4.3Å; W394-L398 HydrophobicContact CZ3-CD1 3.47Å; W394-L398 VanDerWaalsContact CZ3-CD1 3.47Å; W394-L398 HydrophobicContact CZ3-CG 4.31Å; W394-L398 PolarHBondContact O-N 3.23Å; W394-L398 VanDerWaalsContact O-N 3.1Å; N395-L398 PolarHBondContact O-N 3.01Å; G396-L398 PolarHBondContact O-N 3.46Å; L398-T401 WeakPolarHBondContact O-CB 3.43Å; L398-T401 PolarHBondContact O-N 2.95Å; L398-W402 PolarHBondContact O-N 3.38Å; L398-V512 HydrophobicContact CD1-CG1 4.5Å; L398-V512 HydrophobicContact CD1-CG2 4.41Å; L398-I519 HydrophobicContact CB-CG2 3.89Å; L398-I519 HydrophobicContact CD1-CG2 4.02Å; L398-R523 HydrophobicContact CD2-CB 4.27Å; L398-R523 HydrophobicContact CD2-CG 4.22Å |
| 399 | L | 91.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -38 | 177.8 | -177.8 | 63.7 | 0 | 0 | 0 | 112.3 | G76 T77 Y80 Y94 N395 G396 T401 W402 A403 | G76-L399 VanDerWaalsContact O-CD2 3.28Å; G76-L399 WeakPolarHBondContact O-CD2 3.4Å; T77-L399 HydrophobicContact CG2-CD2 4.34Å; Y80-L399 HydrophobicContact CD1-CD1 4.29Å; Y80-L399 HydrophobicContact CD2-CD1 3.32Å; Y80-L399 HydrophobicContact CE2-CD1 3.93Å; Y80-L399 HydrophobicContact CG-CD1 3.55Å; Y80-L399 HydrophobicContact CG-CD2 4.31Å; Y94-L399 HydrophobicContact CD2-CD2 4.26Å; Y94-L399 HydrophobicContact CE2-CD2 4.11Å; Y94-L399 HydrophobicContact CE2-CG 4.24Å; N395-L399 PolarHBondContact O-N 3.17Å; G396-L399 PolarHBondContact O-N 3.17Å; G396-L399 VanDerWaalsContact O-N 3.12Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 3.4Å; L399-W402 HydrophobicContact CD1-CD2 4.15Å; L399-W402 HydrophobicContact CD1-CE3 3.48Å; L399-W402 VanDerWaalsContact CD1-CE3 3.48Å; L399-W402 HydrophobicContact CD1-CZ3 3.91Å; L399-W402 PolarHBondContact O-N 2.89Å; L399-A403 WeakPolarHBondContact O-CB 3.16Å; L399-A403 PolarHBondContact O-N 3.31Å |
| 400 | Q | 91 | Very high | 89.5 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 171.9 | -73.3 | -179.8 | -24.3 | 0 | 0 | 111.7 | S179 Y180 Y182 V184 G396 L397 F404 | S179-Q400 PolarHBondContact O-NE2 3.35Å; Y180-Q400 PolarHBondContact O-NE2 2.9Å; Y182-Q400 WeakPolarHBondContact O-CG 3.44Å; Y182-Q400 PolarHBondContact O-NE2 3.16Å; V184-Q400 HydrophobicContact CG2-CB 4.14Å; V184-Q400 HydrophobicContact CG2-CG 4.15Å; G396-Q400 WeakPolarHBondContact O-CG 3.44Å; G396-Q400 PolarHBondContact O-N 3.49Å; L397-Q400 PolarHBondContact O-N 3.26Å; Q400-F404 VanDerWaalsContact O-CB 3.23Å; Q400-F404 WeakPolarHBondContact O-CB 3.42Å; Q400-F404 PolarHBondContact O-N 3.29Å |
| 401 | T | 90 | Very high | 90.2 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 174.7 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L397 L398 L399 L405 F526 I628 | L397-T401 PolarHBondContact O-N 3.05Å; L397-T401 PolarHBondContact O-OG1 2.97Å; L398-T401 WeakPolarHBondContact O-CB 3.43Å; L398-T401 PolarHBondContact O-N 2.95Å; L399-T401 VanDerWaalsContact C-N 3.3Å; L399-T401 PolarHBondContact O-N 3.4Å; T401-L405 PolarHBondContact O-N 3.13Å; T401-F526 HydrophobicContact CG2-CD2 3.43Å; T401-F526 VanDerWaalsContact CG2-CD2 3.43Å; T401-F526 HydrophobicContact CG2-CE2 3.75Å; T401-F526 HydrophobicContact CG2-CG 4.35Å; T401-I628 HydrophobicContact CG2-CD1 3.81Å |
| 402 | W | 93.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.3 | 170.3 | 92.6 | 0 | 0 | 0 | 111.9 | Y80 Y94 E95 L398 L399 L405 R406 F413 H518 I519 | Y80-W402 HydrophobicContact CD2-CE3 4.36Å; Y80-W402 AromaticContact CD2-CH2 3.89Å; Y80-W402 HydrophobicContact CD2-CH2 3.89Å; Y80-W402 HydrophobicContact CD2-CZ2 4.2Å; Y80-W402 AromaticContact CD2-CZ3 3.97Å; Y80-W402 HydrophobicContact CD2-CZ3 3.97Å; Y80-W402 HydrophobicContact CE2-CD2 4.16Å; Y80-W402 AromaticContact CE2-CE2 3.78Å; Y80-W402 HydrophobicContact CE2-CE3 4.28Å; Y80-W402 AromaticContact CE2-CH2 3.76Å; Y80-W402 HydrophobicContact CE2-CH2 3.76Å; Y80-W402 AromaticContact CE2-CZ2 3.58Å; Y80-W402 HydrophobicContact CE2-CZ2 3.58Å; Y80-W402 HydrophobicContact CE2-CZ3 4.1Å; Y94-W402 HydrophobicContact CD1-CH2 4.39Å; Y94-W402 AromaticContact CD1-CZ3 3.79Å; Y94-W402 HydrophobicContact CD1-CZ3 3.79Å; Y94-W402 HydrophobicContact CE1-CZ3 4.11Å; Y94-W402 HydrophobicContact CG-CZ3 4.08Å; E95-W402 HydrophobicContact CG-CH2 3.93Å; L398-W402 PolarHBondContact O-N 3.38Å; L399-W402 HydrophobicContact CD1-CD2 4.15Å; L399-W402 HydrophobicContact CD1-CE3 3.48Å; L399-W402 VanDerWaalsContact CD1-CE3 3.48Å; L399-W402 HydrophobicContact CD1-CZ3 3.91Å; L399-W402 PolarHBondContact O-N 2.89Å; W402-L405 PolarHBondContact O-N 3.14Å; W402-R406 PolarHBondContact O-N 2.79Å; W402-F413 AromaticContact CD1-CE2 3.83Å; W402-F413 AromaticContact CD2-CE2 4Å; W402-F413 HydrophobicContact CD2-CE2 4Å; W402-F413 HydrophobicContact CD2-CZ 4.34Å; W402-F413 AromaticContact CE2-CE2 3.57Å; W402-F413 AromaticContact CE2-CZ 3.56Å; W402-F413 HydrophobicContact CG-CE2 4.16Å; W402-F413 HydrophobicContact CH2-CZ 4.26Å; W402-F413 HydrophobicContact CZ2-CE2 4.02Å; W402-F413 AromaticContact CZ2-CZ 3.51Å; W402-F413 HydrophobicContact CZ2-CZ 3.51Å; W402-F413 AromaticContact NE1-CE2 3.45Å; W402-F413 AromaticContact NE1-CZ 3.69Å; W402-H518 AromaticContact CD1-ND1 3.8Å; W402-H518 AromaticContact NE1-CE1 3.44Å; W402-H518 PolarHBondContact NE1-CE1 3.1Å; W402-H518 AromaticContact NE1-CG 3.93Å; W402-H518 AromaticContact NE1-ND1 3.04Å; W402-H518 PolarHBondContact NE1-ND1 3.25Å; W402-I519 HydrophobicContact CB-CG1 4.26Å; W402-I519 HydrophobicContact CG-CG1 4.04Å |
| 403 | A | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.6 | -32.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y94 V184 L399 R406 E407 | Y94-A403 HydrophobicContact CE1-CB 3.75Å; Y94-A403 WeakPolarHBondContact OH-CB 3.46Å; V184-A403 HydrophobicContact CB-CB 3.83Å; V184-A403 HydrophobicContact CG2-CB 4.3Å; L399-A403 WeakPolarHBondContact O-CB 3.16Å; L399-A403 PolarHBondContact O-N 3.31Å; A403-R406 WeakPolarHBondContact O-CB 3.43Å; A403-R406 PolarHBondContact O-N 2.83Å; A403-E407 WeakPolarHBondContact O-CG 3.49Å; A403-E407 PolarHBondContact O-N 2.77Å; A403-E407 VanDerWaalsContact O-N 3.11Å |
| 404 | F | 93 | Very high | 91.5 | Very high | 73 Ų | 73 | 31.4 Ų | 31.4 | 32% | 0.32 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 172.4 | 175.9 | -90.9 | 0 | 0 | 0 | 111.7 | V184 Q400 R406 E407 A408 F526 L622 V626 | V184-F404 HydrophobicContact CG1-CB 4.24Å; Q400-F404 VanDerWaalsContact O-CB 3.23Å; Q400-F404 WeakPolarHBondContact O-CB 3.42Å; Q400-F404 PolarHBondContact O-N 3.29Å; F404-R406 PolarHBondContact O-N 3.08Å; F404-E407 PolarHBondContact O-N 2.72Å; F404-A408 HydrophobicContact CE1-CB 4.15Å; F404-A408 HydrophobicContact CZ-CB 4.26Å; F404-A408 VanDerWaalsContact O-CB 3.26Å; F404-A408 WeakPolarHBondContact O-CB 3.32Å; F404-A408 PolarHBondContact O-N 3.33Å; F404-F526 HydrophobicContact CD1-CE1 4.39Å; F404-F526 HydrophobicContact CD1-CE2 4.49Å; F404-F526 AromaticContact CD1-CZ 3.76Å; F404-F526 HydrophobicContact CD1-CZ 3.76Å; F404-F526 HydrophobicContact CE1-CE1 4.3Å; F404-F526 HydrophobicContact CE1-CZ 4.06Å; F404-L622 HydrophobicContact CE1-CD1 3.82Å; F404-L622 HydrophobicContact CZ-CD1 4.08Å; F404-V626 HydrophobicContact CD1-CG2 4.13Å; F404-V626 HydrophobicContact CE1-CG2 3.33Å; F404-V626 HydrophobicContact CZ-CG2 3.72Å |
| 405 | L | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -39.3 | 176.5 | -175.7 | 57.5 | 0 | 0 | 0 | 112.2 | T401 W402 E407 A408 N409 A412 F413 L416 V522 F525 F526 L622 | T401-L405 PolarHBondContact O-N 3.13Å; W402-L405 PolarHBondContact O-N 3.14Å; L405-E407 VanDerWaalsContact C-N 3.25Å; L405-E407 PolarHBondContact O-N 3.49Å; L405-A408 PolarHBondContact O-N 2.91Å; L405-N409 CarbonylContact O-C 3.57Å; L405-N409 PolarHBondContact O-N 2.9Å; L405-A412 HydrophobicContact CD1-CB 4.48Å; L405-F413 HydrophobicContact CG-CB 4.39Å; L405-L416 HydrophobicContact CD2-CD1 3.58Å; L405-V522 HydrophobicContact CB-CG1 3.96Å; L405-V522 HydrophobicContact CD2-CB 4.43Å; L405-V522 HydrophobicContact CD2-CG1 3.74Å; L405-V522 HydrophobicContact CD2-CG2 4.03Å; L405-F525 HydrophobicContact CD1-CD1 4.47Å; L405-F525 HydrophobicContact CD1-CE1 3.7Å; L405-F525 HydrophobicContact CD1-CZ 4.11Å; L405-F525 HydrophobicContact CD2-CD1 3.86Å; L405-F525 HydrophobicContact CD2-CE1 3.89Å; L405-F525 HydrophobicContact CD2-CG 4.46Å; L405-F525 HydrophobicContact CD2-CZ 4.48Å; L405-F525 HydrophobicContact CG-CE1 4.45Å; L405-F526 HydrophobicContact CB-CE2 3.89Å; L405-F526 HydrophobicContact CB-CZ 3.99Å; L405-F526 HydrophobicContact CD1-CZ 4.17Å; L405-F526 HydrophobicContact CD2-CE2 4.46Å; L405-L622 HydrophobicContact CD1-CD2 3.65Å |
| 406 | R | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.7 | -45.9 | 174.2 | -172.7 | -172 | -175.9 | -102.3 | 1.3 | 111.8 | E95 D99 W402 A403 F404 R410 F413 | E95-R406 VanDerWaalsContact CD-NE 3.34Å; E95-R406 IonicContact OE2-CZ 2.93Å; E95-R406 VanDerWaalsContact OE2-CZ 3.24Å; E95-R406 IonicContact OE2-NE 2.86Å; E95-R406 PolarHBondContact OE2-NE 3.48Å; E95-R406 IonicContact OE2-NH2 3.62Å; E95-R406 PolarHBondContact OE2-NH2 3.31Å; D99-R406 IonicContact OD1-CZ 2.8Å; D99-R406 IonicContact OD1-NH1 3.85Å; D99-R406 PolarHBondContact OD1-NH1 2.86Å; D99-R406 IonicContact OD1-NH2 3.2Å; D99-R406 IonicContact OD2-CZ 3.8Å; D99-R406 IonicContact OD2-NH1 3.61Å; D99-R406 IonicContact OD2-NH2 3.05Å; D99-R406 PolarHBondContact OD2-NH2 2.99Å; W402-R406 PolarHBondContact O-N 2.79Å; A403-R406 WeakPolarHBondContact O-CB 3.43Å; A403-R406 PolarHBondContact O-N 2.83Å; F404-R406 PolarHBondContact O-N 3.08Å; R406-R410 WeakPolarHBondContact O-CG 3.37Å; R406-R410 PolarHBondContact O-N 3.06Å; R406-F413 HydrophobicContact CB-CD1 4.25Å; R406-F413 HydrophobicContact CB-CD2 3.66Å; R406-F413 HydrophobicContact CB-CE1 4.21Å; R406-F413 HydrophobicContact CB-CE2 3.61Å; R406-F413 HydrophobicContact CB-CG 3.96Å; R406-F413 HydrophobicContact CB-CZ 3.88Å; R406-F413 HydrophobicContact CG-CD1 4Å; R406-F413 HydrophobicContact CG-CD2 4.3Å; R406-F413 HydrophobicContact CG-CE1 3.83Å; R406-F413 HydrophobicContact CG-CE2 4.14Å; R406-F413 HydrophobicContact CG-CG 4.22Å; R406-F413 HydrophobicContact CG-CZ 3.87Å |
| 407 | E | 92 | Very high | 92.5 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86 | -25.8 | -173.2 | -62.2 | -67.8 | 111.1 | 0 | 0 | 112.8 | Q102 R104 P185 A403 F404 L405 R410 | Q102-E407 PolarHBondContact NE2-OE2 3.22Å; Q102-E407 PolarHBondContact OE1-OE2 3.22Å; R104-E407 IonicContact CZ-OE2 2.69Å; R104-E407 VanDerWaalsContact CZ-OE2 3.23Å; R104-E407 IonicContact NH1-OE1 2.83Å; R104-E407 PolarHBondContact NH1-OE1 2.93Å; R104-E407 IonicContact NH1-OE2 2.68Å; R104-E407 PolarHBondContact NH1-OE2 3.06Å; R104-E407 IonicContact NH2-OE2 3.17Å; R104-E407 PolarHBondContact NH2-OE2 3.29Å; P185-E407 WeakPolarHBondContact CD-OE2 3.34Å; A403-E407 WeakPolarHBondContact O-CG 3.49Å; A403-E407 PolarHBondContact O-N 2.77Å; A403-E407 VanDerWaalsContact O-N 3.11Å; F404-E407 PolarHBondContact O-N 2.72Å; L405-E407 VanDerWaalsContact C-N 3.25Å; L405-E407 PolarHBondContact O-N 3.49Å; E407-R410 IonicContact OE1-CZ 3.23Å; E407-R410 IonicContact OE1-NH2 3.22Å; E407-R410 PolarHBondContact OE1-NH2 3.1Å |
| 408 | A | 92.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 39 Ų | 39 | 41% | 0.413 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.3 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F404 L405 L622 | F404-A408 HydrophobicContact CE1-CB 4.15Å; F404-A408 HydrophobicContact CZ-CB 4.26Å; F404-A408 VanDerWaalsContact O-CB 3.26Å; F404-A408 WeakPolarHBondContact O-CB 3.32Å; F404-A408 PolarHBondContact O-N 3.33Å; L405-A408 PolarHBondContact O-N 2.91Å; A408-L622 HydrophobicContact CB-CD1 3.74Å; A408-L622 HydrophobicContact CB-CD2 4.01Å |
| 409 | N | 94 | Very high | 93 | Very high | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | trans | -151.8 | 93.8 | 175 | -172.2 | -13.8 | 0 | 0 | 0 | 112.2 | L405 T411 A412 F413 N619 L622 | L405-N409 CarbonylContact O-C 3.57Å; L405-N409 PolarHBondContact O-N 2.9Å; N409-T411 VanDerWaalsContact C-N 3.27Å; N409-T411 PolarHBondContact O-N 2.94Å; N409-T411 WeakPolarHBondContact OD1-CB 3.3Å; N409-T411 PolarHBondContact OD1-N 3.32Å; N409-A412 HydrophobicContact CB-CB 3.99Å; N409-A412 PolarHBondContact O-N 3.21Å; N409-A412 PolarHBondContact OD1-N 3.25Å; N409-A412 VanDerWaalsContact OD1-N 3.07Å; N409-F413 WeakPolarHBondContact O-CB 3.49Å; N409-F413 PolarHBondContact O-N 3.33Å; N409-N619 PolarHBondContact ND2-OD1 3Å; N409-L622 HydrophobicContact CB-CD2 4.3Å | ||
| 410 | R | 91.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 35% | 0.347 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.2 | -36.5 | 175.5 | -71.3 | -173.1 | 176.9 | -136.7 | -15.3 | 113.5 | D99 R406 E407 F413 E414 | D99-R410 IonicContact OD1-CZ 2.74Å; D99-R410 IonicContact OD1-NH1 3.62Å; D99-R410 IonicContact OD1-NH2 2.79Å; D99-R410 PolarHBondContact OD1-NH2 2.91Å; D99-R410 IonicContact OD2-CZ 3.07Å; D99-R410 IonicContact OD2-NH1 2.74Å; D99-R410 PolarHBondContact OD2-NH1 2.83Å; D99-R410 IonicContact OD2-NH2 2.81Å; D99-R410 PolarHBondContact OD2-NH2 2.99Å; R406-R410 WeakPolarHBondContact O-CG 3.37Å; R406-R410 PolarHBondContact O-N 3.06Å; E407-R410 IonicContact OE1-CZ 3.23Å; E407-R410 IonicContact OE1-NH2 3.22Å; E407-R410 PolarHBondContact OE1-NH2 3.1Å; R410-F413 PolarHBondContact O-N 3.5Å; R410-E414 WeakPolarHBondContact O-CB 3.12Å; R410-E414 PolarHBondContact O-N 2.7Å |
| 411 | T | 93.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 45 Ų | 45 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -67.4 | -44.5 | -179.8 | -52 | 0 | 0 | 0 | 0 | 111.3 | N409 Q415 | N409-T411 VanDerWaalsContact C-N 3.27Å; N409-T411 PolarHBondContact O-N 2.94Å; N409-T411 WeakPolarHBondContact OD1-CB 3.3Å; N409-T411 PolarHBondContact OD1-N 3.32Å; T411-Q415 WeakPolarHBondContact O-CB 3.43Å; T411-Q415 WeakPolarHBondContact O-CG 3.39Å; T411-Q415 PolarHBondContact O-N 3.46Å |
| 412 | A | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L405 N409 Q415 L416 L615 | L405-A412 HydrophobicContact CD1-CB 4.48Å; N409-A412 HydrophobicContact CB-CB 3.99Å; N409-A412 PolarHBondContact O-N 3.21Å; N409-A412 PolarHBondContact OD1-N 3.25Å; N409-A412 VanDerWaalsContact OD1-N 3.07Å; A412-Q415 PolarHBondContact O-N 3.21Å; A412-L416 PolarHBondContact O-N 3.06Å; A412-L615 HydrophobicContact CB-CD1 3.85Å; A412-L615 HydrophobicContact CB-CD2 4.37Å; A412-L615 HydrophobicContact CB-CG 4.39Å |
| 413 | F | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 176.2 | 177.1 | -94.9 | 0 | 0 | 0 | 112.8 | W402 L405 R406 N409 R410 L416 R417 H518 | W402-F413 AromaticContact CD1-CE2 3.83Å; W402-F413 AromaticContact CD2-CE2 4Å; W402-F413 HydrophobicContact CD2-CE2 4Å; W402-F413 HydrophobicContact CD2-CZ 4.34Å; W402-F413 AromaticContact CE2-CE2 3.57Å; W402-F413 AromaticContact CE2-CZ 3.56Å; W402-F413 HydrophobicContact CG-CE2 4.16Å; W402-F413 HydrophobicContact CH2-CZ 4.26Å; W402-F413 HydrophobicContact CZ2-CE2 4.02Å; W402-F413 AromaticContact CZ2-CZ 3.51Å; W402-F413 HydrophobicContact CZ2-CZ 3.51Å; W402-F413 AromaticContact NE1-CE2 3.45Å; W402-F413 AromaticContact NE1-CZ 3.69Å; L405-F413 HydrophobicContact CG-CB 4.39Å; R406-F413 HydrophobicContact CB-CD1 4.25Å; R406-F413 HydrophobicContact CB-CD2 3.66Å; R406-F413 HydrophobicContact CB-CE1 4.21Å; R406-F413 HydrophobicContact CB-CE2 3.61Å; R406-F413 HydrophobicContact CB-CG 3.96Å; R406-F413 HydrophobicContact CB-CZ 3.88Å; R406-F413 HydrophobicContact CG-CD1 4Å; R406-F413 HydrophobicContact CG-CD2 4.3Å; R406-F413 HydrophobicContact CG-CE1 3.83Å; R406-F413 HydrophobicContact CG-CE2 4.14Å; R406-F413 HydrophobicContact CG-CG 4.22Å; R406-F413 HydrophobicContact CG-CZ 3.87Å; N409-F413 WeakPolarHBondContact O-CB 3.49Å; N409-F413 PolarHBondContact O-N 3.33Å; R410-F413 PolarHBondContact O-N 3.5Å; F413-L416 PolarHBondContact O-N 3.28Å; F413-R417 PolarHBondContact O-N 2.84Å; F413-H518 AromaticContact CD2-CE1 3.97Å; F413-H518 AromaticContact CE1-CE1 3.88Å; F413-H518 AromaticContact CE2-CE1 3.54Å; F413-H518 AromaticContact CZ-CE1 3.51Å; F413-H518 PolarHBondContact O-NE2 3.27Å; F413-H518 VanDerWaalsContact O-NE2 3.1Å |
| 414 | E | 92.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69 | -36.2 | 175.5 | -81.1 | -61.2 | 134.6 | 0 | 0 | 112.6 | R410 L416 R417 Q418 | R410-E414 WeakPolarHBondContact O-CB 3.12Å; R410-E414 PolarHBondContact O-N 2.7Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.02Å; E414-R417 CarbonylContact O-C 3.38Å; E414-R417 WeakPolarHBondContact O-CA 3.36Å; E414-R417 WeakPolarHBondContact O-CB 3.25Å; E414-R417 PolarHBondContact O-N 3.11Å; E414-R417 WeakPolarHBondContact OE1-CD 3.36Å; E414-R417 IonicContact OE1-CZ 3.64Å; E414-R417 IonicContact OE1-NE 2.71Å; E414-R417 IonicContact OE1-NH1 3.13Å; E414-R417 PolarHBondContact OE1-NH1 2.76Å; E414-R417 WeakPolarHBondContact OE2-CD 3.38Å; E414-R417 IonicContact OE2-NH1 2.84Å; E414-Q418 WeakPolarHBondContact O-CG 3.4Å; E414-Q418 PolarHBondContact O-N 2.96Å |
| 415 | Q | 94.5 | Very high | 92.8 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 171.9 | -75.5 | 176 | -9.6 | 0 | 0 | 111.5 | T411 A412 R417 Q418 L419 L615 | T411-Q415 WeakPolarHBondContact O-CB 3.43Å; T411-Q415 WeakPolarHBondContact O-CG 3.39Å; T411-Q415 PolarHBondContact O-N 3.46Å; A412-Q415 PolarHBondContact O-N 3.21Å; Q415-R417 VanDerWaalsContact C-N 3.31Å; Q415-R417 PolarHBondContact O-N 3.3Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q415-L419 VanDerWaalsContact O-CB 3.29Å; Q415-L419 WeakPolarHBondContact O-CB 3.25Å; Q415-L419 PolarHBondContact O-N 3.03Å; Q415-L615 HydrophobicContact CB-CD1 4.46Å; Q415-L615 VanDerWaalsContact OE1-CD1 3.26Å |
| 416 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -27.2 | 170.1 | -69.9 | -179.1 | 0 | 0 | 0 | 113.6 | L405 A412 F413 E414 L419 S420 H518 L521 V522 F525 F612 L615 | L405-L416 HydrophobicContact CD2-CD1 3.58Å; A412-L416 PolarHBondContact O-N 3.06Å; F413-L416 PolarHBondContact O-N 3.28Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.02Å; L416-L419 HydrophobicContact CD2-CD2 3.79Å; L416-L419 PolarHBondContact O-N 2.93Å; L416-S420 WeakPolarHBondContact O-CB 3.24Å; L416-S420 PolarHBondContact O-N 3.2Å; L416-H518 PolarHBondContact O-CD2 3.2Å; L416-L521 HydrophobicContact CD2-CB 4.37Å; L416-V522 HydrophobicContact CD1-CG2 3.86Å; L416-F525 HydrophobicContact CD1-CB 4.01Å; L416-F525 HydrophobicContact CD1-CD2 4.32Å; L416-F525 HydrophobicContact CD1-CG 4.12Å; L416-F612 HydrophobicContact CD2-CD2 4.17Å; L416-F612 HydrophobicContact CD2-CE2 4.39Å; L416-L615 HydrophobicContact CD1-CD2 4.25Å; L416-L615 HydrophobicContact CD2-CD2 3.55Å; L416-L615 HydrophobicContact CG-CD2 3.54Å |
| 417 | R | 92.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 25% | 0.249 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74 | -31 | 175.6 | -165.8 | -176.4 | 178.2 | -167.3 | 1.2 | 112.5 | F413 E414 Q415 S420 H518 | F413-R417 PolarHBondContact O-N 2.84Å; E414-R417 CarbonylContact O-C 3.38Å; E414-R417 WeakPolarHBondContact O-CA 3.36Å; E414-R417 WeakPolarHBondContact O-CB 3.25Å; E414-R417 PolarHBondContact O-N 3.11Å; E414-R417 WeakPolarHBondContact OE1-CD 3.36Å; E414-R417 IonicContact OE1-CZ 3.64Å; E414-R417 IonicContact OE1-NE 2.71Å; E414-R417 IonicContact OE1-NH1 3.13Å; E414-R417 PolarHBondContact OE1-NH1 2.76Å; E414-R417 WeakPolarHBondContact OE2-CD 3.38Å; E414-R417 IonicContact OE2-NH1 2.84Å; Q415-R417 VanDerWaalsContact C-N 3.31Å; Q415-R417 PolarHBondContact O-N 3.3Å; R417-S420 PolarHBondContact O-OG 3.39Å; R417-H518 PolarHBondContact N-NE2 3.03Å |
| 418 | Q | 92.7 | Very high | 92.3 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 58% | 0.575 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -72.4 | -42.2 | 167.6 | -65.3 | 176 | 11.9 | 0 | 0 | 110.5 | E414 Q415 S420 R421 L422 | E414-Q418 WeakPolarHBondContact O-CG 3.4Å; E414-Q418 PolarHBondContact O-N 2.96Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q418-S420 VanDerWaalsContact C-N 3.34Å; Q418-S420 PolarHBondContact O-N 2.86Å; Q418-R421 WeakPolarHBondContact O-CB 3.41Å; Q418-R421 PolarHBondContact O-N 3.11Å; Q418-L422 PolarHBondContact O-N 3.4Å |
| 419 | L | 94.1 | Very high | 92 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -31.2 | 179.2 | -161.5 | 71.7 | 0 | 0 | 0 | 113.3 | Q415 L416 R421 L422 L423 L521 L608 V611 F612 | Q415-L419 VanDerWaalsContact O-CB 3.29Å; Q415-L419 WeakPolarHBondContact O-CB 3.25Å; Q415-L419 PolarHBondContact O-N 3.03Å; L416-L419 HydrophobicContact CD2-CD2 3.79Å; L416-L419 PolarHBondContact O-N 2.93Å; L419-R421 VanDerWaalsContact C-N 3.32Å; L419-R421 PolarHBondContact O-N 3.27Å; L419-L422 HydrophobicContact CD1-CD2 4.29Å; L419-L422 WeakPolarHBondContact O-CB 2.88Å; L419-L422 PolarHBondContact O-N 2.99Å; L419-L423 PolarHBondContact O-N 3.43Å; L419-L521 HydrophobicContact CB-CD1 3.94Å; L419-L521 HydrophobicContact CD2-CD1 4.06Å; L419-L521 HydrophobicContact CD2-CD2 4.24Å; L419-L521 HydrophobicContact CG-CD1 3.96Å; L419-L608 HydrophobicContact CD1-CD1 3.78Å; L419-L608 HydrophobicContact CD1-CG 4.35Å; L419-L608 HydrophobicContact CD2-CD1 4.38Å; L419-L608 HydrophobicContact CG-CD1 3.71Å; L419-V611 HydrophobicContact CD1-CB 4.03Å; L419-V611 HydrophobicContact CD1-CG1 4.01Å; L419-F612 HydrophobicContact CD2-CB 3.97Å; L419-F612 HydrophobicContact CD2-CD2 3.87Å; L419-F612 HydrophobicContact CD2-CG 4.43Å |
| 420 | S | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.5 | -32.2 | 176.9 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | L416 R417 Q418 L423 Q424 L521 | L416-S420 WeakPolarHBondContact O-CB 3.24Å; L416-S420 PolarHBondContact O-N 3.2Å; R417-S420 PolarHBondContact O-OG 3.39Å; Q418-S420 VanDerWaalsContact C-N 3.34Å; Q418-S420 PolarHBondContact O-N 2.86Å; S420-L423 PolarHBondContact O-N 3.26Å; S420-Q424 VanDerWaalsContact O-CB 3.29Å; S420-Q424 WeakPolarHBondContact O-CB 3.48Å; S420-Q424 PolarHBondContact O-N 2.95Å; S420-L521 VanDerWaalsContact CA-CD1 3.48Å |
| 421 | R | 91.1 | Very high | 91.4 | Very high | 160 Ų | 160 | 45.8 Ų | 45.8 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.4 | -39.2 | 171.7 | -62.3 | 173.9 | 178.7 | 164.6 | 0 | 111.4 | Q418 L419 Q424 S425 | Q418-R421 WeakPolarHBondContact O-CB 3.41Å; Q418-R421 PolarHBondContact O-N 3.11Å; L419-R421 VanDerWaalsContact C-N 3.32Å; L419-R421 PolarHBondContact O-N 3.27Å; R421-Q424 PolarHBondContact O-N 2.89Å; R421-S425 PolarHBondContact O-N 3.44Å |
| 422 | L | 91.8 | Very high | 91 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 173.7 | -175.2 | 63.9 | 0 | 0 | 0 | 111.4 | Q418 L419 Q424 S425 L426 Q604 Q607 L608 | Q418-L422 PolarHBondContact O-N 3.4Å; L419-L422 HydrophobicContact CD1-CD2 4.29Å; L419-L422 WeakPolarHBondContact O-CB 2.88Å; L419-L422 PolarHBondContact O-N 2.99Å; L422-Q424 VanDerWaalsContact C-N 3.32Å; L422-Q424 PolarHBondContact O-N 2.99Å; L422-S425 WeakPolarHBondContact O-CB 3.43Å; L422-S425 PolarHBondContact O-N 2.93Å; L422-L426 PolarHBondContact O-N 3.34Å; L422-Q604 HydrophobicContact CD1-CB 3.93Å; L422-Q604 HydrophobicContact CD1-CG 3.76Å; L422-Q607 HydrophobicContact CD2-CB 4.14Å; L422-Q607 HydrophobicContact CD2-CG 3.92Å; L422-L608 HydrophobicContact CB-CD1 4.45Å; L422-L608 HydrophobicContact CD2-CB 4.06Å; L422-L608 HydrophobicContact CD2-CD1 4.22Å; L422-L608 HydrophobicContact CG-CD1 4.34Å |
| 423 | L | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -34.6 | 175.7 | -174.4 | 60.8 | 0 | 0 | 0 | 112.7 | L419 S420 L426 N427 L505 F506 F517 L521 L608 | L419-L423 PolarHBondContact O-N 3.43Å; S420-L423 PolarHBondContact O-N 3.26Å; L423-L426 HydrophobicContact CD1-CD2 4.4Å; L423-N427 PolarHBondContact O-N 3Å; L423-L505 HydrophobicContact CD1-CB 4.34Å; L423-L505 HydrophobicContact CD1-CD2 4.47Å; L423-F506 HydrophobicContact CD1-CE1 3.65Å; L423-F506 HydrophobicContact CD1-CE2 4.33Å; L423-F506 HydrophobicContact CD1-CZ 3.48Å; L423-F506 VanDerWaalsContact CD1-CZ 3.48Å; L423-F506 HydrophobicContact CG-CE1 4.14Å; L423-F506 HydrophobicContact CG-CZ 4.39Å; L423-F517 HydrophobicContact CB-CD1 4.49Å; L423-F517 HydrophobicContact CD2-CB 4.44Å; L423-F517 HydrophobicContact CD2-CD1 3.69Å; L423-F517 HydrophobicContact CD2-CE1 4.47Å; L423-F517 HydrophobicContact CD2-CG 4.48Å; L423-F517 HydrophobicContact CG-CD1 3.73Å; L423-F517 HydrophobicContact CG-CE1 4.24Å; L423-F517 HydrophobicContact CG-CG 4.46Å; L423-L521 HydrophobicContact CB-CD1 4.4Å; L423-L521 HydrophobicContact CD2-CD1 4.17Å; L423-L521 HydrophobicContact CD2-CD2 3.99Å; L423-L521 HydrophobicContact CD2-CG 3.8Å; L423-L608 HydrophobicContact CB-CD1 4Å; L423-L608 HydrophobicContact CD1-CD1 4.5Å; L423-L608 HydrophobicContact CD1-CD2 4.07Å |
| 424 | Q | 90.7 | Very high | 89.6 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.4 | -39.2 | 173.7 | -173.4 | -179.7 | 1 | 0 | 0 | 111.7 | S420 R421 L422 N427 L428 F517 | S420-Q424 VanDerWaalsContact O-CB 3.29Å; S420-Q424 WeakPolarHBondContact O-CB 3.48Å; S420-Q424 PolarHBondContact O-N 2.95Å; R421-Q424 PolarHBondContact O-N 2.89Å; L422-Q424 VanDerWaalsContact C-N 3.32Å; L422-Q424 PolarHBondContact O-N 2.99Å; Q424-N427 PolarHBondContact O-N 2.9Å; Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 2.67Å; Q424-L428 VanDerWaalsContact O-N 3.15Å; Q424-F517 HydrophobicContact CB-CD2 3.86Å; Q424-F517 HydrophobicContact CB-CE2 4.27Å; Q424-F517 HydrophobicContact CB-CG 4.48Å; Q424-F517 HydrophobicContact CG-CD2 4.04Å; Q424-F517 HydrophobicContact CG-CE2 4.18Å |
| 425 | S | 90.4 | Very high | 89.1 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -52.1 | 171 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | R421 L422 N427 L428 D429 | R421-S425 PolarHBondContact O-N 3.44Å; L422-S425 WeakPolarHBondContact O-CB 3.43Å; L422-S425 PolarHBondContact O-N 2.93Å; S425-N427 PolarHBondContact O-N 3.39Å; S425-N427 VanDerWaalsContact O-N 3.13Å; S425-L428 CarbonylContact O-C 3.6Å; S425-L428 WeakPolarHBondContact O-CA 3.46Å; S425-L428 WeakPolarHBondContact O-CB 3.33Å; S425-L428 PolarHBondContact O-N 3.46Å; S425-D429 PolarHBondContact O-N 2.84Å; S425-D429 PolarHBondContact OG-OD2 3.48Å |
| 426 | L | 90.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.8 | -36.7 | 178.6 | -177.5 | 61.2 | 0 | 0 | 0 | 112.3 | L422 L423 L430 F500 F506 T601 Q604 F605 | L422-L426 PolarHBondContact O-N 3.34Å; L423-L426 HydrophobicContact CD1-CD2 4.4Å; L426-L430 HydrophobicContact CG-CD1 4.26Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CD1 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.24Å; L426-F500 HydrophobicContact CD2-CE1 4.28Å; L426-F506 HydrophobicContact CB-CZ 4.38Å; L426-F506 HydrophobicContact CD2-CE2 4.18Å; L426-F506 HydrophobicContact CD2-CZ 4.1Å; L426-F506 HydrophobicContact CG-CE2 4.27Å; L426-F506 HydrophobicContact CG-CZ 4.04Å; L426-T601 HydrophobicContact CD1-CG2 3.84Å; L426-Q604 HydrophobicContact CD1-CB 4.43Å; L426-Q604 VanDerWaalsContact N-OE1 3.1Å; L426-F605 HydrophobicContact CD2-CB 4.2Å |
| 427 | N | 90.2 | Very high | 87.1 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 173 | 177.8 | 47.8 | 0 | 0 | 0 | 113.6 | L423 Q424 S425 Q431 R501 F506 F517 | L423-N427 PolarHBondContact O-N 3Å; Q424-N427 PolarHBondContact O-N 2.9Å; S425-N427 PolarHBondContact O-N 3.39Å; S425-N427 VanDerWaalsContact O-N 3.13Å; N427-Q431 VanDerWaalsContact O-CG 3.31Å; N427-Q431 WeakPolarHBondContact O-CG 3.27Å; N427-Q431 PolarHBondContact O-N 3.18Å; N427-R501 PolarHBondContact OD1-NH1 2.84Å; N427-F506 HydrophobicContact CB-CE1 3.81Å; N427-F506 HydrophobicContact CB-CZ 4.26Å; N427-F517 HydrophobicContact CB-CE1 4.47Å; N427-F517 HydrophobicContact CB-CE2 4.5Å; N427-F517 HydrophobicContact CB-CZ 3.86Å |
| 428 | L | 88.6 | Confident | 86.2 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 175.8 | -69.4 | 169.1 | 0 | 0 | 0 | 111.7 | Q424 S425 Q431 T432 | Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 2.67Å; Q424-L428 VanDerWaalsContact O-N 3.15Å; S425-L428 CarbonylContact O-C 3.6Å; S425-L428 WeakPolarHBondContact O-CA 3.46Å; S425-L428 WeakPolarHBondContact O-CB 3.33Å; S425-L428 PolarHBondContact O-N 3.46Å; L428-Q431 PolarHBondContact O-N 3.05Å; L428-T432 WeakPolarHBondContact O-CB 3.39Å; L428-T432 PolarHBondContact O-N 3.45Å; L428-T432 PolarHBondContact O-OG1 3.13Å |
| 429 | D | 86.7 | Confident | 85.1 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -46 | 175.3 | -66.8 | -44.7 | 0 | 0 | 0 | 110.5 | S425 Q431 T432 V433 V597 T601 Q604 | S425-D429 PolarHBondContact O-N 2.84Å; S425-D429 PolarHBondContact OG-OD2 3.48Å; D429-Q431 VanDerWaalsContact C-N 3.32Å; D429-Q431 PolarHBondContact O-N 2.88Å; D429-T432 CarbonylContact O-C 3.57Å; D429-T432 WeakPolarHBondContact O-CA 3.43Å; D429-T432 WeakPolarHBondContact O-CB 3.45Å; D429-T432 PolarHBondContact O-N 3.34Å; D429-V433 WeakPolarHBondContact O-CG2 3.4Å; D429-V433 PolarHBondContact O-N 2.87Å; D429-V597 HydrophobicContact CB-CG1 4.31Å; D429-T601 HydrophobicContact CB-CG2 3.68Å; D429-Q604 PolarHBondContact OD2-NE2 2.84Å; D429-Q604 PolarHBondContact OD2-OE1 3.32Å |
| 430 | L | 86.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.9 | -40.3 | 171.1 | -74.7 | 166.6 | 0 | 0 | 0 | 112.7 | L426 T432 V433 E434 F496 V497 F500 F506 | L426-L430 HydrophobicContact CG-CD1 4.26Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CD1 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 3.24Å; L430-T432 PolarHBondContact O-N 2.93Å; L430-V433 PolarHBondContact O-N 3.11Å; L430-E434 WeakPolarHBondContact O-CG 3.18Å; L430-E434 PolarHBondContact O-N 2.95Å; L430-F496 HydrophobicContact CD2-CE1 4.33Å; L430-V497 HydrophobicContact CD2-CG2 4.16Å; L430-F500 HydrophobicContact CD1-CB 3.73Å; L430-F500 HydrophobicContact CD1-CD1 4.38Å; L430-F500 HydrophobicContact CD1-CG 4.09Å; L430-F500 HydrophobicContact CD2-CB 4.06Å; L430-F500 HydrophobicContact CD2-CD2 4.25Å; L430-F500 HydrophobicContact CD2-CG 4.25Å; L430-F506 HydrophobicContact CD1-CD2 4Å; L430-F506 HydrophobicContact CD1-CE2 3.43Å; L430-F506 VanDerWaalsContact CD1-CE2 3.43Å; L430-F506 HydrophobicContact CD1-CZ 4Å |
| 431 | Q | 86.8 | Confident | 82.6 | Confident | 52 Ų | 52 | 55 Ų | 55 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -29.5 | 171.5 | -75.5 | 179.4 | 29.1 | 0 | 0 | 113.1 | N427 L428 D429 E434 R435 | N427-Q431 VanDerWaalsContact O-CG 3.31Å; N427-Q431 WeakPolarHBondContact O-CG 3.27Å; N427-Q431 PolarHBondContact O-N 3.18Å; L428-Q431 PolarHBondContact O-N 3.05Å; D429-Q431 VanDerWaalsContact C-N 3.32Å; D429-Q431 PolarHBondContact O-N 2.88Å; Q431-E434 WeakPolarHBondContact CA-OE2 3.47Å; Q431-R435 WeakPolarHBondContact O-CB 3.28Å; Q431-R435 VanDerWaalsContact O-CD 3.25Å; Q431-R435 WeakPolarHBondContact O-CD 3.27Å; Q431-R435 WeakPolarHBondContact O-CG 3.15Å; Q431-R435 PolarHBondContact O-N 2.88Å; Q431-R435 VanDerWaalsContact O-N 3.14Å |
| 432 | T | 83.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.8 | -39.2 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | L428 D429 L430 R435 A436 | L428-T432 WeakPolarHBondContact O-CB 3.39Å; L428-T432 PolarHBondContact O-N 3.45Å; L428-T432 PolarHBondContact O-OG1 3.13Å; D429-T432 CarbonylContact O-C 3.57Å; D429-T432 WeakPolarHBondContact O-CA 3.43Å; D429-T432 WeakPolarHBondContact O-CB 3.45Å; D429-T432 PolarHBondContact O-N 3.34Å; L430-T432 PolarHBondContact O-N 2.93Å; T432-R435 PolarHBondContact O-N 3.13Å; T432-A436 WeakPolarHBondContact O-CB 3.49Å; T432-A436 PolarHBondContact O-N 3.34Å |
| 433 | V | 78.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | D429 L430 R435 A436 F437 V497 L594 V597 L598 | D429-V433 WeakPolarHBondContact O-CG2 3.4Å; D429-V433 PolarHBondContact O-N 2.87Å; L430-V433 PolarHBondContact O-N 3.11Å; V433-R435 VanDerWaalsContact C-N 3.33Å; V433-R435 PolarHBondContact O-N 3.14Å; V433-A436 PolarHBondContact O-N 2.92Å; V433-A436 VanDerWaalsContact O-N 3.1Å; V433-F437 HydrophobicContact CG1-CD2 3.57Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CZ 4.49Å; V433-F437 WeakPolarHBondContact O-CD2 3.36Å; V433-F437 PolarHBondContact O-N 3.49Å; V433-V497 HydrophobicContact CB-CG2 4.16Å; V433-V497 HydrophobicContact CG1-CG2 3.58Å; V433-L594 HydrophobicContact CG1-CD1 4.39Å; V433-V597 HydrophobicContact CG2-CB 4.22Å; V433-V597 HydrophobicContact CG2-CG1 3.41Å; V433-V597 VanDerWaalsContact CG2-CG1 3.41Å; V433-L598 HydrophobicContact CG1-CD2 4.39Å |
| 434 | E | 81.6 | Confident | 78.7 | Confident | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.2 | -46.7 | 174.9 | -75.2 | 166.3 | 166.2 | 0 | 0 | 112 | L430 Q431 Y438 V497 R501 | L430-E434 WeakPolarHBondContact O-CG 3.18Å; L430-E434 PolarHBondContact O-N 2.95Å; Q431-E434 WeakPolarHBondContact CA-OE2 3.47Å; E434-Y438 WeakPolarHBondContact O-CB 3.38Å; E434-Y438 PolarHBondContact O-N 3.42Å; E434-Y438 VanDerWaalsContact O-N 3.1Å; E434-V497 HydrophobicContact CG-CG1 3.67Å; E434-V497 HydrophobicContact CG-CG2 4.37Å; E434-V497 VanDerWaalsContact OE1-CG1 3.31Å; E434-V497 WeakPolarHBondContact OE1-CG1 3.3Å; E434-R501 IonicContact OE1-CZ 3.49Å; E434-R501 VanDerWaalsContact OE1-CZ 3.32Å; E434-R501 IonicContact OE1-NE 2.84Å; E434-R501 PolarHBondContact OE1-NE 3.36Å; E434-R501 IonicContact OE1-NH2 2.75Å; E434-R501 PolarHBondContact OE1-NH2 2.78Å; E434-R501 IonicContact OE2-CZ 2.72Å; E434-R501 IonicContact OE2-NE 3.24Å; E434-R501 IonicContact OE2-NH2 2.73Å; E434-R501 PolarHBondContact OE2-NH2 3.1Å |
| 435 | R | 81.3 | Confident | 77.2 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.506 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 177.2 | -69.2 | 163.2 | -168.9 | 147.6 | 7.6 | 112.5 | Q431 T432 V433 K439 | Q431-R435 WeakPolarHBondContact O-CB 3.28Å; Q431-R435 VanDerWaalsContact O-CD 3.25Å; Q431-R435 WeakPolarHBondContact O-CD 3.27Å; Q431-R435 WeakPolarHBondContact O-CG 3.15Å; Q431-R435 PolarHBondContact O-N 2.88Å; Q431-R435 VanDerWaalsContact O-N 3.14Å; T432-R435 PolarHBondContact O-N 3.13Å; V433-R435 VanDerWaalsContact C-N 3.33Å; V433-R435 PolarHBondContact O-N 3.14Å; R435-K439 WeakPolarHBondContact O-CG 3.32Å; R435-K439 PolarHBondContact O-N 3.1Å; R435-K439 VanDerWaalsContact O-N 3.16Å |
| 436 | A | 74.6 | Confident | 75.5 | Confident | 29 Ų | 29 | 60 Ų | 60 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -50 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T432 V433 Y438 K439 V440 | T432-A436 WeakPolarHBondContact O-CB 3.49Å; T432-A436 PolarHBondContact O-N 3.34Å; V433-A436 PolarHBondContact O-N 2.92Å; V433-A436 VanDerWaalsContact O-N 3.1Å; A436-Y438 VanDerWaalsContact C-N 3.35Å; A436-Y438 PolarHBondContact O-N 3.08Å; A436-K439 WeakPolarHBondContact O-CB 3.27Å; A436-K439 PolarHBondContact O-N 3.17Å; A436-K439 VanDerWaalsContact O-N 3.11Å; A436-V440 WeakPolarHBondContact O-CG2 3.43Å; A436-V440 PolarHBondContact O-N 3.25Å |
| 437 | F | 73.4 | Confident | 73.8 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 177.7 | -75.8 | -56.8 | 0 | 0 | 0 | 113.2 | V433 K439 V440 H441 V489 G493 L594 | V433-F437 HydrophobicContact CG1-CD2 3.57Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CZ 4.49Å; V433-F437 WeakPolarHBondContact O-CD2 3.36Å; V433-F437 PolarHBondContact O-N 3.49Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.16Å; F437-V440 PolarHBondContact O-N 2.88Å; F437-H441 VanDerWaalsContact O-CB 3.22Å; F437-H441 WeakPolarHBondContact O-CB 3.35Å; F437-H441 PolarHBondContact O-N 2.9Å; F437-V489 HydrophobicContact CE1-CG1 4.4Å; F437-V489 WeakPolarHBondContact CE1-O 3.39Å; F437-G493 VanDerWaalsContact CE2-CA 3.41Å; F437-G493 VanDerWaalsContact CZ-CA 3.47Å; F437-L594 HydrophobicContact CD1-CD2 4.38Å; F437-L594 HydrophobicContact CD2-CD1 4.44Å; F437-L594 HydrophobicContact CE1-CD1 3.97Å; F437-L594 HydrophobicContact CE1-CD2 3.38Å; F437-L594 HydrophobicContact CE1-CG 4.3Å; F437-L594 HydrophobicContact CE2-CD1 3.71Å; F437-L594 HydrophobicContact CZ-CD1 3.42Å; F437-L594 VanDerWaalsContact CZ-CD1 3.42Å; F437-L594 HydrophobicContact CZ-CD2 3.47Å; F437-L594 VanDerWaalsContact CZ-CD2 3.47Å; F437-L594 HydrophobicContact CZ-CG 3.99Å |
| 438 | Y | 71.8 | Confident | 71.8 | Confident | 102 Ų | 102 | 67.3 Ų | 67.3 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.5 | -178.2 | -95.6 | 0 | 0 | 0 | 112.1 | S354 E434 A436 R442 | S354-Y438 WeakPolarHBondContact CB-OH 3.41Å; S354-Y438 PolarHBondContact O-OH 3.09Å; E434-Y438 WeakPolarHBondContact O-CB 3.38Å; E434-Y438 PolarHBondContact O-N 3.42Å; E434-Y438 VanDerWaalsContact O-N 3.1Å; A436-Y438 VanDerWaalsContact C-N 3.35Å; A436-Y438 PolarHBondContact O-N 3.08Å; Y438-R442 WeakPolarHBondContact O-CB 3.26Å; Y438-R442 PolarHBondContact O-N 3.39Å; Y438-R442 PolarHBondContact OH-NH1 2.83Å; Y438-R442 VanDerWaalsContact OH-NH1 3.15Å |
| 439 | K | 70.9 | Confident | 69.8 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 174.6 | -73.5 | 173.3 | 179.5 | -178.1 | 0 | 112.3 | R435 A436 F437 R442 K443 | R435-K439 WeakPolarHBondContact O-CG 3.32Å; R435-K439 PolarHBondContact O-N 3.1Å; R435-K439 VanDerWaalsContact O-N 3.16Å; A436-K439 WeakPolarHBondContact O-CB 3.27Å; A436-K439 PolarHBondContact O-N 3.17Å; A436-K439 VanDerWaalsContact O-N 3.11Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.16Å; K439-R442 PolarHBondContact O-N 2.89Å; K439-K443 WeakPolarHBondContact O-CG 3.1Å; K439-K443 PolarHBondContact O-N 3.48Å |
| 440 | V | 66.2 | Low | 67.7 | Low | 24 Ų | 24 | 68.9 Ų | 68.9 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | -178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | A436 F437 R442 K443 H444 L486 | A436-V440 WeakPolarHBondContact O-CG2 3.43Å; A436-V440 PolarHBondContact O-N 3.25Å; F437-V440 PolarHBondContact O-N 2.88Å; V440-R442 VanDerWaalsContact C-N 3.34Å; V440-R442 PolarHBondContact O-N 3.09Å; V440-K443 PolarHBondContact O-N 3.22Å; V440-H444 PolarHBondContact O-N 3.03Å; V440-L486 HydrophobicContact CG1-CD2 3.83Å; V440-L486 HydrophobicContact CG1-CG 4.14Å |
| 441 | H | 67.2 | Low | 65.6 | Low | 79 Ų | 79 | 74.8 Ų | 74.8 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 178.6 | -174 | 54.6 | 0 | 0 | 0 | 112.3 | F437 H444 R445 | F437-H441 VanDerWaalsContact O-CB 3.22Å; F437-H441 WeakPolarHBondContact O-CB 3.35Å; F437-H441 PolarHBondContact O-N 2.9Å; H441-H444 PolarHBondContact O-N 3.41Å; H441-R445 PolarHBondContact O-N 3.43Å |
| 442 | R | 67.1 | Low | 63.2 | Low | 100 Ų | 100 | 77.9 Ų | 77.9 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 174.8 | -176.6 | 175 | 179.6 | 149.7 | 0.6 | 113.1 | K353 S354 Y438 K439 V440 L446 | K353-R442 PolarHBondContact O-NH1 3.19Å; S354-R442 PolarHBondContact OG-NH2 3Å; Y438-R442 WeakPolarHBondContact O-CB 3.26Å; Y438-R442 PolarHBondContact O-N 3.39Å; Y438-R442 PolarHBondContact OH-NH1 2.83Å; Y438-R442 VanDerWaalsContact OH-NH1 3.15Å; K439-R442 PolarHBondContact O-N 2.89Å; V440-R442 VanDerWaalsContact C-N 3.34Å; V440-R442 PolarHBondContact O-N 3.09Å; R442-L446 HydrophobicContact CG-CD1 4.25Å; R442-L446 WeakPolarHBondContact O-CD1 3.21Å; R442-L446 WeakPolarHBondContact O-CG 3.31Å; R442-L446 PolarHBondContact O-N 2.78Å |
| 443 | K | 64.3 | Low | 60.8 | Low | 92 Ų | 92 | 81.4 Ų | 81.4 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 171.3 | -77.4 | 179.6 | 174.8 | -178.1 | 0 | 110.7 | K439 V440 L446 N447 V586 D590 | K439-K443 WeakPolarHBondContact O-CG 3.1Å; K439-K443 PolarHBondContact O-N 3.48Å; V440-K443 PolarHBondContact O-N 3.22Å; K443-L446 PolarHBondContact O-N 2.83Å; K443-N447 PolarHBondContact O-N 3.12Å; K443-N447 PolarHBondContact O-OD1 3.05Å; K443-V586 VanDerWaalsContact NZ-CG1 3.32Å; K443-D590 IonicContact NZ-OD2 3.69Å; K443-D590 PolarHBondContact NZ-OD2 2.67Å |
| 444 | H | 61.7 | Low | 58.9 | Low | 40 Ų | 40 | 88.9 Ų | 88.9 | 19% | 0.185 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | -178.2 | -170.9 | -98.7 | 0 | 0 | 0 | 112.5 | V440 H441 L446 N447 L448 S483 L486 | V440-H444 PolarHBondContact O-N 3.03Å; H441-H444 PolarHBondContact O-N 3.41Å; H444-L446 PolarHBondContact O-N 2.77Å; H444-N447 PolarHBondContact O-N 3.04Å; H444-N447 VanDerWaalsContact O-N 3.16Å; H444-L448 PolarHBondContact O-N 3.07Å; H444-S483 WeakPolarHBondContact NE2-CB 3.48Å; H444-S483 PolarHBondContact NE2-OG 3.19Å; H444-S483 VanDerWaalsContact NE2-OG 3.07Å; H444-L486 HydrophobicContact CB-CD2 4.46Å |
| 445 | R | 58.5 | Low | 56.9 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 179 | -170.3 | 172.4 | -174.3 | 146.5 | 5.9 | 113.3 | T356 H441 N447 L448 E449 | T356-R445 PolarHBondContact O-NH1 3.27Å; H441-R445 PolarHBondContact O-N 3.43Å; R445-N447 VanDerWaalsContact C-N 3.29Å; R445-N447 PolarHBondContact O-N 2.87Å; R445-L448 PolarHBondContact O-N 3.14Å; R445-E449 IonicContact NE-OE1 2.7Å; R445-E449 PolarHBondContact O-N 3.27Å |
| 446 | L | 55.9 | Low | 54.6 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.7 | -28.4 | 178.1 | -71.6 | 167.6 | 0 | 0 | 0 | 113.1 | R442 K443 H444 A450 | R442-L446 HydrophobicContact CG-CD1 4.25Å; R442-L446 WeakPolarHBondContact O-CD1 3.21Å; R442-L446 WeakPolarHBondContact O-CG 3.31Å; R442-L446 PolarHBondContact O-N 2.78Å; K443-L446 PolarHBondContact O-N 2.83Å; H444-L446 PolarHBondContact O-N 2.77Å; L446-A450 WeakPolarHBondContact O-CB 3.26Å; L446-A450 PolarHBondContact O-N 2.76Å |
| 447 | N | 52.9 | Low | 52.7 | Low | 87 Ų | 87 | 102.5 Ų | 102.5 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78 | -29.1 | 179.5 | -74.3 | 4.8 | 0 | 0 | 0 | 113.1 | K443 H444 R445 H451 | K443-N447 PolarHBondContact O-N 3.12Å; K443-N447 PolarHBondContact O-OD1 3.05Å; H444-N447 PolarHBondContact O-N 3.04Å; H444-N447 VanDerWaalsContact O-N 3.16Å; R445-N447 VanDerWaalsContact C-N 3.29Å; R445-N447 PolarHBondContact O-N 2.87Å; N447-H451 PolarHBondContact O-N 3.37Å; N447-H451 PolarHBondContact O-ND1 3.49Å |
| 448 | L | 49.9 | Very low | 50.8 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -52 | 171.4 | -82.5 | 155.4 | 0 | 0 | 0 | 110.7 | H444 R445 A450 H451 D452 | H444-L448 PolarHBondContact O-N 3.07Å; R445-L448 PolarHBondContact O-N 3.14Å; L448-A450 PolarHBondContact O-N 3.2Å; L448-A450 VanDerWaalsContact O-N 3.09Å; L448-H451 PolarHBondContact O-N 3.02Å; L448-D452 PolarHBondContact O-N 3.14Å |
| 449 | E | 45.1 | Very low | 49 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.2 | -26.9 | 176.7 | -68.4 | 169.6 | -170.5 | 0 | 0 | 112.3 | R445 | R445-E449 IonicContact NE-OE1 2.7Å; R445-E449 PolarHBondContact O-N 3.27Å |
| 450 | A | 43.7 | Very low | 47.3 | Very low | 52 Ų | 52 | 116.4 Ų | 116.4 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -83.1 | -22.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L446 L448 M454 | L446-A450 WeakPolarHBondContact O-CB 3.26Å; L446-A450 PolarHBondContact O-N 2.76Å; L448-A450 PolarHBondContact O-N 3.2Å; L448-A450 VanDerWaalsContact O-N 3.09Å; A450-M454 WeakPolarHBondContact O-CG 2.78Å |
| 451 | H | 41.7 | Very low | 45.7 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 57% | 0.569 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.9 | -42.8 | 177 | -89.1 | 71.4 | 0 | 0 | 0 | 112.1 | N447 L448 L453 M454 | N447-H451 PolarHBondContact O-N 3.37Å; N447-H451 PolarHBondContact O-ND1 3.49Å; L448-H451 PolarHBondContact O-N 3.02Å; H451-L453 PolarHBondContact O-N 3.1Å; H451-M454 PolarHBondContact O-N 2.96Å |
| 452 | D | 38 | Very low | 44 | Very low | 118 Ų | 118 | 125 Ų | 125 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.1 | -33.7 | 178.7 | -74.7 | -29.4 | 0 | 0 | 0 | 112.2 | L448 M454 | L448-D452 PolarHBondContact O-N 3.14Å; D452-M454 PolarHBondContact O-N 3.38Å |
| 453 | L | 33 | Very low | 42.4 | Very low | 135 Ų | 135 | 126 Ų | 126 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -12.8 | 176.2 | -85.9 | 168.3 | 0 | 0 | 0 | 114.9 | H451 | H451-L453 PolarHBondContact O-N 3.1Š|
| 454 | M | 38.6 | Very low | 41.1 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -2 | -177.3 | -68.2 | -70.3 | -69.7 | 0 | 0 | 113.7 | A450 H451 D452 | A450-M454 WeakPolarHBondContact O-CG 2.78Å; H451-M454 PolarHBondContact O-N 2.96Å; D452-M454 PolarHBondContact O-N 3.38Å |
| 455 | I | 39.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 137 Ų | 137 | 65% | 0.646 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -88.5 | -15.6 | -172.7 | -70.3 | 171.5 | 0 | 0 | 0 | 113 | D457 | I455-D457 VanDerWaalsContact C-N 3.29Å; I455-D457 PolarHBondContact O-N 2.96Å |
| 456 | W | 32.1 | Very low | 38.6 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.913 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -6.5 | -170.8 | -116.4 | -29.4 | 0 | 0 | 0 | 116.3 | ||
| 457 | D | 35.2 | Very low | 37.3 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 32 | -165.2 | -120.4 | -21.5 | 0 | 0 | 0 | 114.1 | I455 | I455-D457 VanDerWaalsContact C-N 3.29Å; I455-D457 PolarHBondContact O-N 2.96Å |
| 458 | S | 34.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -143.4 | 27.7 | -179.3 | -77.1 | 0 | 0 | 0 | 0 | 116.8 | R460 | S458-R460 PolarHBondContact O-N 3.46Š| ||
| 459 | E | 33.2 | Very low | 35.8 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -76.1 | 54.7 | 165.3 | -69.6 | -158.2 | 136.6 | 0 | 0 | 113.1 | ||||
| 460 | R | 34.3 | Very low | 35.1 | Very low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -163.8 | 85.6 | 169.5 | -133.9 | 173.4 | -71.7 | -177.6 | -0.9 | 114.7 | S458 | S458-R460 PolarHBondContact O-N 3.46Š| ||
| 461 | L | 33.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | 171.9 | 94.8 | 145.3 | -96.2 | 158.2 | 0 | 0 | 0 | 109.9 | ||||
| 462 | S | 32.2 | Very low | 34.2 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -97.4 | 167 | 175.1 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 463 | T | 33 | Very low | 34.2 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 97.1 | 169.8 | 60.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 464 | N | 36.2 | Very low | 34.7 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -156.8 | 141.6 | 99.6 | -98.7 | -32 | 0 | 0 | 0 | 112.1 | |||||
| 465 | K | 30.9 | Very low | 35.2 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 134.8 | 170.4 | -79.5 | -175.8 | 174.6 | -178.7 | 0 | 108.9 | ||||
| 466 | H | 36.7 | Very low | 36.2 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -144.9 | 149.6 | 148.6 | -102 | -77 | 0 | 0 | 0 | 109.4 | ||||
| 467 | S | 30.1 | Very low | 37.6 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -114.9 | 131.5 | -170.1 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 468 | S | 36.5 | Very low | 39 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -149.5 | 113.6 | 169.5 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 469 | S | 33.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 25.5 | 118.2 | 148.6 | 58.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 470 | D | 31.6 | Very low | 42 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 23.7 | 106.3 | 132.2 | -54.7 | -36.1 | 0 | 0 | 0 | 119.4 | ||||
| 471 | Q | 32.4 | Very low | 43.6 | Very low | 183 Ų | 183 | 120 Ų | 120 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | trans | -152.8 | 132.5 | 134.7 | -114.8 | 169 | 40.3 | 0 | 0 | 110.9 | N473 | Q471-N473 PolarHBondContact O-N 3.09Å; Q471-N473 VanDerWaalsContact O-N 3.13Å | ||
| 472 | S | 33.2 | Very low | 45.3 | Very low | 124 Ų | 124 | 113.1 Ų | 113.1 | 87% | 0.867 | 66% | 0.657 | S | S | * | * | trans | -81.5 | 91.6 | -171.4 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 473 | N | 37.4 | Very low | 47 | Very low | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -98.1 | 128.2 | 167.3 | -80.6 | -34.3 | 0 | 0 | 0 | 110.7 | Q471 S475 | Q471-N473 PolarHBondContact O-N 3.09Å; Q471-N473 VanDerWaalsContact O-N 3.13Å; N473-S475 PolarHBondContact O-N 3.38Å | ||
| 474 | G | 43.2 | Very low | 48.9 | Very low | 63 Ų | 63 | 109.7 Ų | 109.7 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | trans | -72.3 | 90.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 475 | S | 50.6 | Low | 50.4 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 78% | 0.783 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 151.1 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | N473 | N473-S475 PolarHBondContact O-N 3.38Š|
| 476 | C | 60.5 | Low | 52.3 | Low | 42 Ų | 42 | 94.6 Ų | 94.6 | 28% | 0.284 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 155.6 | 156.7 | -74.5 | 0 | 0 | 0 | 0 | 110.3 | D478 C561 | C476-D478 PolarHBondContact O-N 3.1Å; C476-C561 HydrophobicContact CB-CB 3.81Å; C476-C561 WeakPolarHBondContact CB-SG 3.38Å; C476-C561 WeakPolarHBondContact SG-CA 3.49Å; C476-C561 WeakPolarHBondContact SG-CB 3.46Å; C476-C561 CovalentContact SG-SG 2.04Å; C476-C561 PolarHBondContact SG-SG 3.48Å |
| 477 | M | 61.3 | Low | 54 | Low | 34 Ų | 34 | 91 Ų | 91 | 17% | 0.167 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -47.1 | 142.9 | 169.9 | -69.3 | -178.9 | 79.2 | 0 | 0 | 110.6 | E481 H482 M485 K557 | M477-E481 HydrophobicContact CE-CB 3.86Å; M477-E481 HydrophobicContact CE-CG 3.57Å; M477-H482 HydrophobicContact CB-CB 4.45Å; M477-H482 HydrophobicContact CE-CB 4.12Å; M477-H482 HydrophobicContact SD-CB 4.21Å; M477-M485 HydrophobicContact CE-CE 3.8Å; M477-M485 HydrophobicContact CE-CG 4.13Å; M477-M485 HydrophobicContact CE-SD 3.46Å; M477-M485 WeakPolarHBondContact CE-SD 3.4Å; M477-M485 HydrophobicContact SD-SD 4.48Å; M477-K557 HydrophobicContact CE-CD 4.05Å; M477-K557 HydrophobicContact CG-CB 3.69Å; M477-K557 HydrophobicContact CG-CD 3.98Å; M477-K557 HydrophobicContact CG-CG 4.2Å; M477-K557 HydrophobicContact SD-CB 3.49Å; M477-K557 WeakPolarHBondContact SD-CB 3.44Å; M477-K557 HydrophobicContact SD-CD 3.89Å; M477-K557 HydrophobicContact SD-CG 4.27Å |
| 478 | D | 64.8 | Low | 56.2 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 140.2 | 161.3 | -163.2 | -42.2 | 0 | 0 | 0 | 108.9 | C476 E480 E481 H482 | C476-D478 PolarHBondContact O-N 3.1Å; D478-E480 PolarHBondContact O-N 3.02Å; D478-E480 WeakPolarHBondContact OD1-CB 3.4Å; D478-E480 PolarHBondContact OD1-N 3.39Å; D478-E481 HydrophobicContact CB-CB 4.23Å; D478-E481 PolarHBondContact O-N 3.4Å; D478-H482 PolarHBondContact O-N 3.45Å |
| 479 | S | 62.6 | Low | 57.9 | Low | 87 Ų | 87 | 88.8 Ų | 88.8 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.4 | -32.8 | 173.1 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | S483 | S479-S483 WeakPolarHBondContact O-CB 3.45Å; S479-S483 PolarHBondContact O-N 3.37Å; S479-S483 PolarHBondContact O-OG 3.5Å; S479-S483 VanDerWaalsContact O-OG 3.08Å |
| 480 | E | 67.7 | Low | 59.8 | Low | 104 Ų | 104 | 84 Ų | 84 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 174 | -158.5 | -166.5 | -154.6 | 0 | 0 | 112.3 | D478 R484 | D478-E480 PolarHBondContact O-N 3.02Å; D478-E480 WeakPolarHBondContact OD1-CB 3.4Å; D478-E480 PolarHBondContact OD1-N 3.39Å; E480-R484 WeakPolarHBondContact O-CB 3.44Å; E480-R484 WeakPolarHBondContact O-CG 3.13Å; E480-R484 PolarHBondContact O-N 3.38Å; E480-R484 IonicContact OE1-CZ 2.69Å; E480-R484 IonicContact OE1-NH1 2.67Å; E480-R484 IonicContact OE1-NH2 3.9Å; E480-R484 PolarHBondContact OE1-NH2 3.2Å; E480-R484 IonicContact OE2-CZ 2.86Å; E480-R484 IonicContact OE2-NH1 3.65Å; E480-R484 PolarHBondContact OE2-NH1 3.44Å; E480-R484 IonicContact OE2-NH2 3.6Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å; E480-R484 VanDerWaalsContact OE2-NH2 3.11Å |
| 481 | E | 68.8 | Low | 62 | Low | 69 Ų | 69 | 82.4 Ų | 82.4 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 175.2 | -164.9 | -163.6 | 168.8 | 0 | 0 | 110.7 | M477 D478 R484 M485 K557 | M477-E481 HydrophobicContact CE-CB 3.86Å; M477-E481 HydrophobicContact CE-CG 3.57Å; D478-E481 HydrophobicContact CB-CB 4.23Å; D478-E481 PolarHBondContact O-N 3.4Å; E481-R484 PolarHBondContact O-N 3.29Å; E481-M485 HydrophobicContact CG-CE 4.28Å; E481-M485 WeakPolarHBondContact O-CG 3.25Å; E481-M485 PolarHBondContact O-N 3.31Å; E481-M485 VanDerWaalsContact OE1-CE 3.25Å; E481-M485 WeakPolarHBondContact OE1-CE 3.33Å; E481-K557 IonicContact OE1-NZ 3.84Å; E481-K557 PolarHBondContact OE1-NZ 3.07Å |
| 482 | H | 68.4 | Low | 64.1 | Low | 36 Ų | 36 | 75.1 Ų | 75.1 | 17% | 0.167 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.5 | -166.6 | 71.3 | 0 | 0 | 0 | 111.3 | M477 D478 M485 L486 | M477-H482 HydrophobicContact CB-CB 4.45Å; M477-H482 HydrophobicContact CE-CB 4.12Å; M477-H482 HydrophobicContact SD-CB 4.21Å; D478-H482 PolarHBondContact O-N 3.45Å; H482-M485 PolarHBondContact O-N 3.18Å; H482-L486 WeakPolarHBondContact O-CB 3.3Å; H482-L486 PolarHBondContact O-N 3.45Å |
| 483 | S | 67.3 | Low | 66 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 173 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | H444 S479 M485 L486 E487 | H444-S483 WeakPolarHBondContact NE2-CB 3.48Å; H444-S483 PolarHBondContact NE2-OG 3.19Å; H444-S483 VanDerWaalsContact NE2-OG 3.07Å; S479-S483 WeakPolarHBondContact O-CB 3.45Å; S479-S483 PolarHBondContact O-N 3.37Å; S479-S483 PolarHBondContact O-OG 3.5Å; S479-S483 VanDerWaalsContact O-OG 3.08Å; S483-M485 VanDerWaalsContact C-N 3.29Å; S483-M485 PolarHBondContact O-N 3.36Å; S483-L486 PolarHBondContact O-N 3.14Å; S483-E487 WeakPolarHBondContact O-CB 3.37Å; S483-E487 PolarHBondContact O-N 3.25Å |
| 484 | R | 72.8 | Confident | 68.1 | Low | 117 Ų | 117 | 67 Ų | 67 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -36.9 | 177.2 | -77.4 | 177.6 | 179 | 127.2 | 8.1 | 112.8 | E480 E481 R488 | E480-R484 WeakPolarHBondContact O-CB 3.44Å; E480-R484 WeakPolarHBondContact O-CG 3.13Å; E480-R484 PolarHBondContact O-N 3.38Å; E480-R484 IonicContact OE1-CZ 2.69Å; E480-R484 IonicContact OE1-NH1 2.67Å; E480-R484 IonicContact OE1-NH2 3.9Å; E480-R484 PolarHBondContact OE1-NH2 3.2Å; E480-R484 IonicContact OE2-CZ 2.86Å; E480-R484 IonicContact OE2-NH1 3.65Å; E480-R484 PolarHBondContact OE2-NH1 3.44Å; E480-R484 IonicContact OE2-NH2 3.6Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å; E480-R484 VanDerWaalsContact OE2-NH2 3.11Å; E481-R484 PolarHBondContact O-N 3.29Å; R484-R488 VanDerWaalsContact O-CG 3.28Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 3.22Å |
| 485 | M | 68.7 | Low | 69.9 | Low | 17 Ų | 17 | 66.7 Ų | 66.7 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.4 | -42.7 | 175.3 | -72.4 | -167.4 | -177.8 | 0 | 0 | 112.7 | M477 E481 H482 S483 E487 R488 V489 D553 L554 K557 | M477-M485 HydrophobicContact CE-CE 3.8Å; M477-M485 HydrophobicContact CE-CG 4.13Å; M477-M485 HydrophobicContact CE-SD 3.46Å; M477-M485 WeakPolarHBondContact CE-SD 3.4Å; M477-M485 HydrophobicContact SD-SD 4.48Å; E481-M485 HydrophobicContact CG-CE 4.28Å; E481-M485 WeakPolarHBondContact O-CG 3.25Å; E481-M485 PolarHBondContact O-N 3.31Å; E481-M485 VanDerWaalsContact OE1-CE 3.25Å; E481-M485 WeakPolarHBondContact OE1-CE 3.33Å; H482-M485 PolarHBondContact O-N 3.18Å; S483-M485 VanDerWaalsContact C-N 3.29Å; S483-M485 PolarHBondContact O-N 3.36Å; M485-E487 PolarHBondContact O-N 2.97Å; M485-R488 PolarHBondContact O-N 2.94Å; M485-R488 VanDerWaalsContact O-N 3.14Å; M485-V489 WeakPolarHBondContact O-CG2 3.45Å; M485-V489 PolarHBondContact O-N 2.73Å; M485-D553 WeakPolarHBondContact CE-OD2 3.41Å; M485-L554 HydrophobicContact CB-CD1 3.47Å; M485-L554 VanDerWaalsContact CB-CD1 3.47Å; M485-L554 HydrophobicContact CG-CD1 4.44Å; M485-L554 HydrophobicContact SD-CB 4.02Å; M485-L554 HydrophobicContact SD-CD1 4.13Å; M485-L554 HydrophobicContact SD-CG 4.46Å; M485-K557 HydrophobicContact CE-CD 3.96Å; M485-K557 VanDerWaalsContact CE-NZ 3.32Å |
| 486 | L | 69.4 | Low | 71.4 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 176.1 | -147 | 85.6 | 0 | 0 | 0 | 111 | V440 H444 H482 S483 S490 I591 | V440-L486 HydrophobicContact CG1-CD2 3.83Å; V440-L486 HydrophobicContact CG1-CG 4.14Å; H444-L486 HydrophobicContact CB-CD2 4.46Å; H482-L486 WeakPolarHBondContact O-CB 3.3Å; H482-L486 PolarHBondContact O-N 3.45Å; S483-L486 PolarHBondContact O-N 3.14Å; L486-S490 VanDerWaalsContact O-CB 3.24Å; L486-S490 WeakPolarHBondContact O-CB 3.44Å; L486-S490 PolarHBondContact O-N 3.42Å; L486-I591 HydrophobicContact CD1-CD1 3.52Å; L486-I591 HydrophobicContact CD1-CG1 4.33Å |
| 487 | E | 73.5 | Confident | 72.5 | Confident | 125 Ų | 125 | 60.4 Ų | 60.4 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 173.6 | -177.7 | 168.2 | -132 | 0 | 0 | 112.5 | S483 M485 V489 S490 H491 | S483-E487 WeakPolarHBondContact O-CB 3.37Å; S483-E487 PolarHBondContact O-N 3.25Å; M485-E487 PolarHBondContact O-N 2.97Å; E487-V489 PolarHBondContact O-N 3.23Å; E487-S490 CarbonylContact O-C 3.6Å; E487-S490 WeakPolarHBondContact O-CB 3.29Å; E487-S490 PolarHBondContact O-N 2.76Å; E487-H491 WeakPolarHBondContact O-CB 3.34Å; E487-H491 PolarHBondContact O-N 3.46Å |
| 488 | R | 76.3 | Confident | 73.8 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 174.7 | -75.5 | 170.4 | -175.7 | -177.7 | 2.3 | 112.5 | R484 M485 S490 H491 L492 | R484-R488 VanDerWaalsContact O-CG 3.28Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 3.22Å; M485-R488 PolarHBondContact O-N 2.94Å; M485-R488 VanDerWaalsContact O-N 3.14Å; R488-S490 VanDerWaalsContact C-N 3.35Å; R488-H491 PolarHBondContact O-N 3.25Å; R488-L492 VanDerWaalsContact O-CB 3.3Å; R488-L492 WeakPolarHBondContact O-CB 3.4Å; R488-L492 PolarHBondContact O-N 3.33Å |
| 489 | V | 72 | Confident | 74.9 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | F437 M485 E487 G493 L594 | F437-V489 HydrophobicContact CE1-CG1 4.4Å; F437-V489 WeakPolarHBondContact CE1-O 3.39Å; M485-V489 WeakPolarHBondContact O-CG2 3.45Å; M485-V489 PolarHBondContact O-N 2.73Å; E487-V489 PolarHBondContact O-N 3.23Å; V489-G493 PolarHBondContact O-N 3.26Å; V489-L594 HydrophobicContact CG1-CD2 3.68Å |
| 490 | S | 73.6 | Confident | 76.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.2 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | L486 E487 R488 K494 | L486-S490 VanDerWaalsContact O-CB 3.24Å; L486-S490 WeakPolarHBondContact O-CB 3.44Å; L486-S490 PolarHBondContact O-N 3.42Å; E487-S490 CarbonylContact O-C 3.6Å; E487-S490 WeakPolarHBondContact O-CB 3.29Å; E487-S490 PolarHBondContact O-N 2.76Å; R488-S490 VanDerWaalsContact C-N 3.35Å; S490-K494 WeakPolarHBondContact O-CB 3.32Å; S490-K494 WeakPolarHBondContact O-CG 3.36Å; S490-K494 PolarHBondContact O-N 3.32Å; S490-K494 VanDerWaalsContact O-N 3.08Å |
| 491 | H | 78.3 | Confident | 77.2 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 56% | 0.56 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.1 | -51.6 | 176.1 | -176.2 | -71.5 | 0 | 0 | 0 | 111.5 | E487 R488 G493 K494 E495 | E487-H491 WeakPolarHBondContact O-CB 3.34Å; E487-H491 PolarHBondContact O-N 3.46Å; R488-H491 PolarHBondContact O-N 3.25Å; H491-G493 VanDerWaalsContact C-N 3.29Å; H491-G493 PolarHBondContact O-N 3.46Å; H491-K494 WeakPolarHBondContact O-CB 3.36Å; H491-K494 PolarHBondContact O-N 3.1Å; H491-E495 WeakPolarHBondContact O-CG 3.41Å; H491-E495 PolarHBondContact O-N 3.44Å |
| 492 | L | 74.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | -178.5 | -177.8 | 60.6 | 0 | 0 | 0 | 112 | R488 E495 F496 N543 F546 S547 | R488-L492 VanDerWaalsContact O-CB 3.3Å; R488-L492 WeakPolarHBondContact O-CB 3.4Å; R488-L492 PolarHBondContact O-N 3.33Å; L492-E495 PolarHBondContact O-N 2.94Å; L492-F496 WeakPolarHBondContact O-CB 3.5Å; L492-F496 PolarHBondContact O-N 3.39Å; L492-N543 HydrophobicContact CD1-CB 3.97Å; L492-F546 HydrophobicContact CD2-CB 4.14Å; L492-S547 VanDerWaalsContact CD2-CA 3.46Å |
| 493 | G | 75 | Confident | 79.3 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.4 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F437 V489 H491 E495 F496 V497 | F437-G493 VanDerWaalsContact CE2-CA 3.41Å; F437-G493 VanDerWaalsContact CZ-CA 3.47Å; V489-G493 PolarHBondContact O-N 3.26Å; H491-G493 VanDerWaalsContact C-N 3.29Å; H491-G493 PolarHBondContact O-N 3.46Å; G493-E495 VanDerWaalsContact C-N 3.28Å; G493-E495 PolarHBondContact O-N 2.92Å; G493-F496 PolarHBondContact O-N 3.04Å; G493-V497 WeakPolarHBondContact O-CG2 3Å; G493-V497 PolarHBondContact O-N 3.11Å |
| 494 | K | 80.2 | Confident | 80.2 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 165.9 | -75.9 | 167.8 | -175.2 | 178.1 | 0 | 110.5 | S490 H491 V497 R498 | S490-K494 WeakPolarHBondContact O-CB 3.32Å; S490-K494 WeakPolarHBondContact O-CG 3.36Å; S490-K494 PolarHBondContact O-N 3.32Å; S490-K494 VanDerWaalsContact O-N 3.08Å; H491-K494 WeakPolarHBondContact O-CB 3.36Å; H491-K494 PolarHBondContact O-N 3.1Å; K494-V497 PolarHBondContact O-N 2.94Å; K494-R498 WeakPolarHBondContact O-CB 3.33Å; K494-R498 PolarHBondContact O-N 3.24Å |
| 495 | E | 81.3 | Confident | 81 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 178.3 | -71.8 | -65.1 | 92 | 0 | 0 | 112.8 | H491 L492 G493 V497 R498 L499 | H491-E495 WeakPolarHBondContact O-CG 3.41Å; H491-E495 PolarHBondContact O-N 3.44Å; L492-E495 PolarHBondContact O-N 2.94Å; G493-E495 VanDerWaalsContact C-N 3.28Å; G493-E495 PolarHBondContact O-N 2.92Å; E495-V497 PolarHBondContact O-N 3.5Å; E495-R498 VanDerWaalsContact CD-NE 3.34Å; E495-R498 WeakPolarHBondContact O-CB 3.29Å; E495-R498 PolarHBondContact O-N 3.3Å; E495-R498 VanDerWaalsContact O-N 3.15Å; E495-R498 WeakPolarHBondContact OE1-CD 3.38Å; E495-R498 IonicContact OE1-CZ 3.95Å; E495-R498 IonicContact OE1-NE 3.66Å; E495-R498 PolarHBondContact OE1-NE 3.23Å; E495-R498 IonicContact OE1-NH2 3.57Å; E495-R498 IonicContact OE2-CZ 2.76Å; E495-R498 IonicContact OE2-NE 3.83Å; E495-R498 PolarHBondContact OE2-NE 3.45Å; E495-R498 IonicContact OE2-NH2 2.67Å; E495-R498 PolarHBondContact OE2-NH2 2.89Å; E495-L499 WeakPolarHBondContact O-CG 3.48Å; E495-L499 PolarHBondContact O-N 3.37Å |
| 496 | F | 81.7 | Confident | 82.1 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.5 | -50.1 | 172.2 | -179.7 | -88.5 | 0 | 0 | 0 | 111.4 | L430 L492 G493 R498 L499 F500 L598 T601 | L430-F496 HydrophobicContact CD2-CE1 4.33Å; L492-F496 WeakPolarHBondContact O-CB 3.5Å; L492-F496 PolarHBondContact O-N 3.39Å; G493-F496 PolarHBondContact O-N 3.04Å; F496-R498 VanDerWaalsContact C-N 3.33Å; F496-R498 PolarHBondContact O-N 3.04Å; F496-L499 PolarHBondContact O-N 2.97Å; F496-F500 HydrophobicContact CD1-CD2 4.18Å; F496-F500 HydrophobicContact CD1-CE2 4.36Å; F496-F500 HydrophobicContact CD2-CE2 4.49Å; F496-F500 AromaticContact CE1-CD2 3.89Å; F496-F500 HydrophobicContact CE1-CD2 3.89Å; F496-F500 AromaticContact CE1-CE2 3.75Å; F496-F500 HydrophobicContact CE1-CE2 3.75Å; F496-F500 AromaticContact CE2-CE2 3.91Å; F496-F500 HydrophobicContact CE2-CE2 3.91Å; F496-F500 HydrophobicContact CZ-CD2 4.13Å; F496-F500 AromaticContact CZ-CE2 3.51Å; F496-F500 HydrophobicContact CZ-CE2 3.51Å; F496-F500 HydrophobicContact CZ-CZ 4.45Å; F496-F500 WeakPolarHBondContact O-CD2 3.35Å; F496-F500 PolarHBondContact O-N 3.2Å; F496-L598 HydrophobicContact CD1-CD2 3.75Å; F496-L598 HydrophobicContact CE1-CD2 3.81Å; F496-L598 HydrophobicContact CG-CD2 4.22Å; F496-L598 HydrophobicContact CZ-CD2 4.31Å; F496-T601 WeakPolarHBondContact CE1-OG1 3.3Å; F496-T601 WeakPolarHBondContact CZ-OG1 3.21Å |
| 497 | V | 83.9 | Confident | 83 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L430 V433 E434 G493 K494 E495 L499 F500 R501 | L430-V497 HydrophobicContact CD2-CG2 4.16Å; V433-V497 HydrophobicContact CB-CG2 4.16Å; V433-V497 HydrophobicContact CG1-CG2 3.58Å; E434-V497 HydrophobicContact CG-CG1 3.67Å; E434-V497 HydrophobicContact CG-CG2 4.37Å; E434-V497 VanDerWaalsContact OE1-CG1 3.31Å; E434-V497 WeakPolarHBondContact OE1-CG1 3.3Å; G493-V497 WeakPolarHBondContact O-CG2 3Å; G493-V497 PolarHBondContact O-N 3.11Å; K494-V497 PolarHBondContact O-N 2.94Å; E495-V497 PolarHBondContact O-N 3.5Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.41Å; V497-F500 PolarHBondContact O-N 3.32Å; V497-R501 HydrophobicContact CG1-CG 3.88Å; V497-R501 WeakPolarHBondContact O-CB 3.41Å; V497-R501 VanDerWaalsContact O-CG 3.28Å; V497-R501 WeakPolarHBondContact O-CG 3.38Å; V497-R501 PolarHBondContact O-N 3.5Å |
| 498 | R | 88.3 | Confident | 83.5 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 178.7 | -173.8 | -177.2 | 65.1 | 73.5 | -5 | 111.8 | K494 E495 F496 R501 Q502 | K494-R498 WeakPolarHBondContact O-CB 3.33Å; K494-R498 PolarHBondContact O-N 3.24Å; E495-R498 VanDerWaalsContact CD-NE 3.34Å; E495-R498 WeakPolarHBondContact O-CB 3.29Å; E495-R498 PolarHBondContact O-N 3.3Å; E495-R498 VanDerWaalsContact O-N 3.15Å; E495-R498 WeakPolarHBondContact OE1-CD 3.38Å; E495-R498 IonicContact OE1-CZ 3.95Å; E495-R498 IonicContact OE1-NE 3.66Å; E495-R498 PolarHBondContact OE1-NE 3.23Å; E495-R498 IonicContact OE1-NH2 3.57Å; E495-R498 IonicContact OE2-CZ 2.76Å; E495-R498 IonicContact OE2-NE 3.83Å; E495-R498 PolarHBondContact OE2-NE 3.45Å; E495-R498 IonicContact OE2-NH2 2.67Å; E495-R498 PolarHBondContact OE2-NH2 2.89Å; F496-R498 VanDerWaalsContact C-N 3.33Å; F496-R498 PolarHBondContact O-N 3.04Å; R498-R501 PolarHBondContact O-N 2.76Å; R498-Q502 HydrophobicContact CG-CG 4.3Å; R498-Q502 WeakPolarHBondContact O-CB 3.48Å; R498-Q502 WeakPolarHBondContact O-CG 3.38Å; R498-Q502 PolarHBondContact O-N 2.85Å |
| 499 | L | 87.9 | Confident | 84 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 176.2 | -68.6 | -174.3 | 0 | 0 | 0 | 111.3 | E495 F496 V497 Q502 S503 L536 Q539 N543 | E495-L499 WeakPolarHBondContact O-CG 3.48Å; E495-L499 PolarHBondContact O-N 3.37Å; F496-L499 PolarHBondContact O-N 2.97Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 3.41Å; L499-Q502 PolarHBondContact O-N 3.48Å; L499-S503 WeakPolarHBondContact O-CB 3.11Å; L499-S503 PolarHBondContact O-N 2.87Å; L499-L536 HydrophobicContact CB-CD1 4.33Å; L499-Q539 HydrophobicContact CD1-CB 4.07Å; L499-N543 WeakPolarHBondContact CD1-ND2 3.33Å |
| 500 | F | 89 | Confident | 84.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.1 | -84.5 | -78.7 | 0 | 0 | 0 | 112.2 | L426 L430 F496 V497 Q502 S503 F506 L536 F605 | L426-F500 HydrophobicContact CD2-CE1 4.28Å; L430-F500 HydrophobicContact CD1-CB 3.73Å; L430-F500 HydrophobicContact CD1-CD1 4.38Å; L430-F500 HydrophobicContact CD1-CG 4.09Å; L430-F500 HydrophobicContact CD2-CB 4.06Å; L430-F500 HydrophobicContact CD2-CD2 4.25Å; L430-F500 HydrophobicContact CD2-CG 4.25Å; F496-F500 HydrophobicContact CD1-CD2 4.18Å; F496-F500 HydrophobicContact CD1-CE2 4.36Å; F496-F500 HydrophobicContact CD2-CE2 4.49Å; F496-F500 AromaticContact CE1-CD2 3.89Å; F496-F500 HydrophobicContact CE1-CD2 3.89Å; F496-F500 AromaticContact CE1-CE2 3.75Å; F496-F500 HydrophobicContact CE1-CE2 3.75Å; F496-F500 AromaticContact CE2-CE2 3.91Å; F496-F500 HydrophobicContact CE2-CE2 3.91Å; F496-F500 HydrophobicContact CZ-CD2 4.13Å; F496-F500 AromaticContact CZ-CE2 3.51Å; F496-F500 HydrophobicContact CZ-CE2 3.51Å; F496-F500 HydrophobicContact CZ-CZ 4.45Å; F496-F500 WeakPolarHBondContact O-CD2 3.35Å; F496-F500 PolarHBondContact O-N 3.2Å; V497-F500 PolarHBondContact O-N 3.32Å; F500-Q502 VanDerWaalsContact C-N 3.27Å; F500-Q502 PolarHBondContact O-N 2.97Å; F500-S503 WeakPolarHBondContact O-CB 3.41Å; F500-S503 PolarHBondContact O-N 3.05Å; F500-S503 VanDerWaalsContact O-N 3.17Å; F500-S503 PolarHBondContact O-OG 3.28Å; F500-F506 HydrophobicContact CB-CD2 4.23Å; F500-F506 HydrophobicContact CB-CE2 4.44Å; F500-F506 HydrophobicContact CD1-CD2 4.48Å; F500-F506 HydrophobicContact CD1-CE2 4.12Å; F500-F506 WeakPolarHBondContact O-CD2 3.42Å; F500-L536 HydrophobicContact CD1-CD2 4.23Å; F500-L536 HydrophobicContact CE1-CD2 4.08Å; F500-F605 HydrophobicContact CE1-CB 4.01Å; F500-F605 HydrophobicContact CE1-CD1 4.13Å; F500-F605 AromaticContact CE1-CD2 3.83Å; F500-F605 HydrophobicContact CE1-CD2 3.83Å; F500-F605 HydrophobicContact CE1-CE2 4.38Å; F500-F605 AromaticContact CE1-CG 3.7Å; F500-F605 HydrophobicContact CE1-CG 3.7Å; F500-F605 HydrophobicContact CZ-CB 3.95Å; F500-F605 AromaticContact CZ-CD1 3.8Å; F500-F605 HydrophobicContact CZ-CD1 3.8Å; F500-F605 HydrophobicContact CZ-CD2 4.33Å; F500-F605 HydrophobicContact CZ-CE1 4.41Å; F500-F605 AromaticContact CZ-CG 3.74Å; F500-F605 HydrophobicContact CZ-CG 3.74Å |
| 501 | R | 89.9 | Confident | 84.9 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -30.4 | 179 | -69.4 | -67.9 | -174.5 | -142 | 0.2 | 113.4 | N427 E434 V497 R498 R507 | N427-R501 PolarHBondContact OD1-NH1 2.84Å; E434-R501 IonicContact OE1-CZ 3.49Å; E434-R501 VanDerWaalsContact OE1-CZ 3.32Å; E434-R501 IonicContact OE1-NE 2.84Å; E434-R501 PolarHBondContact OE1-NE 3.36Å; E434-R501 IonicContact OE1-NH2 2.75Å; E434-R501 PolarHBondContact OE1-NH2 2.78Å; E434-R501 IonicContact OE2-CZ 2.72Å; E434-R501 IonicContact OE2-NE 3.24Å; E434-R501 IonicContact OE2-NH2 2.73Å; E434-R501 PolarHBondContact OE2-NH2 3.1Å; V497-R501 HydrophobicContact CG1-CG 3.88Å; V497-R501 WeakPolarHBondContact O-CB 3.41Å; V497-R501 VanDerWaalsContact O-CG 3.28Å; V497-R501 WeakPolarHBondContact O-CG 3.38Å; V497-R501 PolarHBondContact O-N 3.5Å; R498-R501 PolarHBondContact O-N 2.76Å; R501-R507 PolarHBondContact O-N 2.91Å |
| 502 | Q | 90.4 | Very high | 85.2 | Confident | 107 Ų | 107 | 43 Ų | 43 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -90.1 | -14.8 | 177.3 | -68.4 | 179.4 | -13.3 | 0 | 0 | 113.9 | R498 L499 F500 | R498-Q502 HydrophobicContact CG-CG 4.3Å; R498-Q502 WeakPolarHBondContact O-CB 3.48Å; R498-Q502 WeakPolarHBondContact O-CG 3.38Å; R498-Q502 PolarHBondContact O-N 2.85Å; L499-Q502 PolarHBondContact O-N 3.48Å; F500-Q502 VanDerWaalsContact C-N 3.27Å; F500-Q502 PolarHBondContact O-N 2.97Å |
| 503 | S | 90.2 | Very high | 85.3 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -66.4 | 158.7 | 175.3 | 79 | 0 | 0 | 0 | 0 | 112.9 | L499 F500 L505 F506 R507 | L499-S503 WeakPolarHBondContact O-CB 3.11Å; L499-S503 PolarHBondContact O-N 2.87Å; F500-S503 WeakPolarHBondContact O-CB 3.41Å; F500-S503 PolarHBondContact O-N 3.05Å; F500-S503 VanDerWaalsContact O-N 3.17Å; F500-S503 PolarHBondContact O-OG 3.28Å; S503-L505 PolarHBondContact O-N 3.39Å; S503-L505 VanDerWaalsContact O-N 3.1Å; S503-L505 PolarHBondContact OG-N 3.38Å; S503-F506 PolarHBondContact O-N 3.41Å; S503-F506 VanDerWaalsContact O-N 3.08Å; S503-R507 WeakPolarHBondContact O-CB 3.47Å; S503-R507 PolarHBondContact O-N 3.09Å |
| 504 | I | 87.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.2 | 178.8 | -159.4 | 163.2 | 0 | 0 | 0 | 113.8 | F506 H520 L524 V529 E532 L533 | I504-F506 VanDerWaalsContact C-N 3.34Å; I504-F506 PolarHBondContact O-N 2.88Å; I504-H520 PolarHBondContact O-CE1 3.16Å; I504-H520 PolarHBondContact O-NE2 2.95Å; I504-L524 HydrophobicContact CD1-CD2 4.15Å; I504-L524 HydrophobicContact CG1-CD2 3.75Å; I504-L524 HydrophobicContact CG2-CD2 4.43Å; I504-V529 HydrophobicContact CD1-CG1 3.86Å; I504-V529 HydrophobicContact CG2-CB 4.39Å; I504-E532 WeakPolarHBondContact CB-OE2 3.29Å; I504-E532 VanDerWaalsContact CD1-OE2 3.29Å; I504-E532 WeakPolarHBondContact CD1-OE2 3.13Å; I504-E532 HydrophobicContact CG2-CB 4.33Å; I504-E532 WeakPolarHBondContact CG2-OE2 3.33Å; I504-L533 HydrophobicContact CG2-CD1 4.41Å |
| 505 | L | 89.7 | Confident | 85.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.6 | 172.9 | -63.9 | 178.8 | 0 | 0 | 0 | 112.6 | L423 S503 H520 L524 L533 L536 F605 L608 | L423-L505 HydrophobicContact CD1-CB 4.34Å; L423-L505 HydrophobicContact CD1-CD2 4.47Å; S503-L505 PolarHBondContact O-N 3.39Å; S503-L505 VanDerWaalsContact O-N 3.1Å; S503-L505 PolarHBondContact OG-N 3.38Å; L505-H520 PolarHBondContact O-CD2 3.41Å; L505-H520 VanDerWaalsContact O-CD2 3.27Å; L505-H520 PolarHBondContact O-NE2 3.49Å; L505-L524 HydrophobicContact CD2-CD1 3.84Å; L505-L533 HydrophobicContact CD2-CD1 4.23Å; L505-L536 HydrophobicContact CD1-CD2 4.14Å; L505-F605 HydrophobicContact CD1-CD2 4.01Å; L505-F605 HydrophobicContact CD1-CE2 3.91Å; L505-L608 HydrophobicContact CD1-CD2 3.89Å; L505-L608 HydrophobicContact CD2-CD2 4.07Å |
| 506 | F | 91.7 | Very high | 86 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -22.7 | -171.9 | -62.1 | -59.4 | 0 | 0 | 0 | 115.2 | L423 L426 N427 L430 F500 S503 I504 D508 I509 F517 | L423-F506 HydrophobicContact CD1-CE1 3.65Å; L423-F506 HydrophobicContact CD1-CE2 4.33Å; L423-F506 HydrophobicContact CD1-CZ 3.48Å; L423-F506 VanDerWaalsContact CD1-CZ 3.48Å; L423-F506 HydrophobicContact CG-CE1 4.14Å; L423-F506 HydrophobicContact CG-CZ 4.39Å; L426-F506 HydrophobicContact CB-CZ 4.38Å; L426-F506 HydrophobicContact CD2-CE2 4.18Å; L426-F506 HydrophobicContact CD2-CZ 4.1Å; L426-F506 HydrophobicContact CG-CE2 4.27Å; L426-F506 HydrophobicContact CG-CZ 4.04Å; N427-F506 HydrophobicContact CB-CE1 3.81Å; N427-F506 HydrophobicContact CB-CZ 4.26Å; L430-F506 HydrophobicContact CD1-CD2 4Å; L430-F506 HydrophobicContact CD1-CE2 3.43Å; L430-F506 VanDerWaalsContact CD1-CE2 3.43Å; L430-F506 HydrophobicContact CD1-CZ 4Å; F500-F506 HydrophobicContact CB-CD2 4.23Å; F500-F506 HydrophobicContact CB-CE2 4.44Å; F500-F506 HydrophobicContact CD1-CD2 4.48Å; F500-F506 HydrophobicContact CD1-CE2 4.12Å; F500-F506 WeakPolarHBondContact O-CD2 3.42Å; S503-F506 PolarHBondContact O-N 3.41Å; S503-F506 VanDerWaalsContact O-N 3.08Å; I504-F506 VanDerWaalsContact C-N 3.34Å; I504-F506 PolarHBondContact O-N 2.88Å; F506-D508 VanDerWaalsContact C-N 3.32Å; F506-D508 PolarHBondContact O-N 3.36Å; F506-I509 WeakPolarHBondContact O-CG2 3.45Å; F506-I509 PolarHBondContact O-N 3.04Å; F506-F517 HydrophobicContact CD1-CE1 4.08Å; F506-F517 AromaticContact CE1-CE1 3.85Å; F506-F517 HydrophobicContact CE1-CE1 3.85Å; F506-F517 HydrophobicContact CE1-CZ 4.47Å |
| 507 | R | 87.8 | Confident | 86.5 | Confident | 124 Ų | 124 | 42 Ų | 42 | 47% | 0.468 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -59.2 | -42.7 | 178.3 | -176.5 | -168.9 | 67.7 | -141.6 | -4.5 | 112.5 | R501 S503 | R501-R507 PolarHBondContact O-N 2.91Å; S503-R507 WeakPolarHBondContact O-CB 3.47Å; S503-R507 PolarHBondContact O-N 3.09Å |
| 508 | D | 84.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.9 | -8.1 | -172.3 | -68.9 | 19.2 | 0 | 0 | 0 | 113.5 | F506 T510 L511 R523 | F506-D508 VanDerWaalsContact C-N 3.32Å; F506-D508 PolarHBondContact O-N 3.36Å; D508-T510 PolarHBondContact O-N 3.25Å; D508-T510 VanDerWaalsContact O-N 3.16Å; D508-L511 HydrophobicContact CB-CD1 4.31Å; D508-L511 VanDerWaalsContact O-CB 3.31Å; D508-L511 WeakPolarHBondContact O-CB 3.45Å; D508-L511 WeakPolarHBondContact O-CG 3.38Å; D508-L511 PolarHBondContact O-N 3.04Å; D508-R523 IonicContact OD2-CZ 3.29Å; D508-R523 VanDerWaalsContact OD2-CZ 3.24Å; D508-R523 IonicContact OD2-NH1 3.56Å; D508-R523 PolarHBondContact OD2-NH1 3.42Å; D508-R523 IonicContact OD2-NH2 2.79Å; D508-R523 PolarHBondContact OD2-NH2 2.99Å |
| 509 | I | 85.8 | Confident | 87 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.7 | -174 | -165.7 | 62.6 | 0 | 0 | 0 | 112.6 | F506 L511 V512 L515 F517 H520 | F506-I509 WeakPolarHBondContact O-CG2 3.45Å; F506-I509 PolarHBondContact O-N 3.04Å; I509-L511 PolarHBondContact O-N 2.83Å; I509-V512 HydrophobicContact CD1-CB 4.41Å; I509-V512 HydrophobicContact CD1-CG2 4.46Å; I509-V512 WeakPolarHBondContact O-CB 3.45Å; I509-V512 PolarHBondContact O-N 2.93Å; I509-V512 VanDerWaalsContact O-N 3.09Å; I509-L515 WeakPolarHBondContact O-CD2 3.23Å; I509-F517 HydrophobicContact CD1-CD1 3.76Å; I509-F517 HydrophobicContact CD1-CE1 3.88Å; I509-F517 HydrophobicContact CD1-CG 4.38Å; I509-F517 HydrophobicContact CG1-CD1 4.22Å; I509-F517 HydrophobicContact CG1-CE1 3.8Å; I509-F517 HydrophobicContact CG1-CZ 4.22Å; I509-H520 HydrophobicContact CD1-CB 3.55Å |
| 510 | T | 83.8 | Confident | 87.2 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 66% | 0.656 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | D508 | D508-T510 PolarHBondContact O-N 3.25Å; D508-T510 VanDerWaalsContact O-N 3.16Å |
| 511 | L | 81.4 | Confident | 87.4 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -41.6 | 171.2 | -53.1 | 176.1 | 0 | 0 | 0 | 110.2 | W394 D508 I509 | W394-L511 HydrophobicContact CH2-CB 3.39Å; W394-L511 WeakPolarHBondContact CH2-O 3.21Å; W394-L511 HydrophobicContact CZ2-CB 3.79Å; W394-L511 HydrophobicContact CZ2-CD1 4.43Å; W394-L511 VanDerWaalsContact CZ3-C 3.49Å; W394-L511 HydrophobicContact CZ3-CB 4.19Å; W394-L511 WeakPolarHBondContact CZ3-O 3.39Å; D508-L511 HydrophobicContact CB-CD1 4.31Å; D508-L511 VanDerWaalsContact O-CB 3.31Å; D508-L511 WeakPolarHBondContact O-CB 3.45Å; D508-L511 WeakPolarHBondContact O-CG 3.38Å; D508-L511 PolarHBondContact O-N 3.04Å; I509-L511 PolarHBondContact O-N 2.83Å |
| 512 | V | 83.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -65.4 | 136.1 | -165.5 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | W394 L398 I509 G514 L515 D516 I519 H520 | W394-V512 HydrophobicContact CH2-CG2 4.32Å; L398-V512 HydrophobicContact CD1-CG1 4.5Å; L398-V512 HydrophobicContact CD1-CG2 4.41Å; I509-V512 HydrophobicContact CD1-CB 4.41Å; I509-V512 HydrophobicContact CD1-CG2 4.46Å; I509-V512 WeakPolarHBondContact O-CB 3.45Å; I509-V512 PolarHBondContact O-N 2.93Å; I509-V512 VanDerWaalsContact O-N 3.09Å; V512-G514 PolarHBondContact O-N 2.95Å; V512-L515 PolarHBondContact O-N 3.33Å; V512-D516 HydrophobicContact CG1-CB 4.26Å; V512-I519 HydrophobicContact CG1-CB 4Å; V512-I519 HydrophobicContact CG1-CG2 3.83Å; V512-H520 HydrophobicContact CG1-CB 4.43Å; V512-H520 HydrophobicContact CG2-CB 4.07Å |
| 513 | P | 77.5 | Confident | 87.6 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -51.7 | 135.8 | 175.6 | 20.5 | -34.3 | 0 | 0 | 0 | 111.9 | I82 L515 D516 I519 | I82-P513 HydrophobicContact CB-CB 4.33Å; I82-P513 HydrophobicContact CD1-CB 4.02Å; I82-P513 HydrophobicContact CD1-CG 4.41Å; I82-P513 HydrophobicContact CG1-CB 4.03Å; I82-P513 HydrophobicContact CG2-CB 3.54Å; P513-L515 PolarHBondContact O-N 3Å; P513-D516 VanDerWaalsContact O-CB 3.23Å; P513-D516 WeakPolarHBondContact O-CB 3.35Å; P513-D516 PolarHBondContact O-N 2.73Å; P513-D516 VanDerWaalsContact O-N 3.09Å; P513-I519 HydrophobicContact CG-CD1 4.03Å |
| 514 | G | 78.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | 59.9 | 16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | R90 V512 D516 | R90-G514 PolarHBondContact NH1-O 3.23Å; R90-G514 PolarHBondContact NH2-O 3.12Å; V512-G514 PolarHBondContact O-N 2.95Å; G514-D516 PolarHBondContact O-N 3.46Å |
| 515 | L | 84.5 | Confident | 88 | Confident | 101 Ų | 101 | 28.8 Ų | 28.8 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | 51 | 38.4 | -168.8 | -60.2 | 176.3 | 0 | 0 | 0 | 112.5 | I509 V512 P513 F517 | I509-L515 WeakPolarHBondContact O-CD2 3.23Å; V512-L515 PolarHBondContact O-N 3.33Å; P513-L515 PolarHBondContact O-N 3Å; L515-F517 PolarHBondContact O-N 3.06Å |
| 516 | D | 88.2 | Confident | 88 | Confident | 14 Ų | 14 | 29 Ų | 29 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | trans | -78 | 109 | -167.1 | -161.7 | -63 | 0 | 0 | 0 | 113.3 | Y80 R90 V512 P513 G514 H518 I519 H520 | Y80-D516 VanDerWaalsContact OH-CG 3.29Å; Y80-D516 PolarHBondContact OH-OD2 3.19Å; R90-D516 WeakPolarHBondContact CD-OD2 3.37Å; R90-D516 IonicContact CZ-OD2 3.22Å; R90-D516 IonicContact NH1-OD2 2.64Å; R90-D516 PolarHBondContact NH1-OD2 3.09Å; V512-D516 HydrophobicContact CG1-CB 4.26Å; P513-D516 VanDerWaalsContact O-CB 3.23Å; P513-D516 WeakPolarHBondContact O-CB 3.35Å; P513-D516 PolarHBondContact O-N 2.73Å; P513-D516 VanDerWaalsContact O-N 3.09Å; G514-D516 PolarHBondContact O-N 3.46Å; D516-H518 VanDerWaalsContact C-N 3.25Å; D516-H518 PolarHBondContact O-N 3.01Å; D516-H518 WeakPolarHBondContact OD1-CA 3.33Å; D516-H518 WeakPolarHBondContact OD1-CB 3.37Å; D516-H518 PolarHBondContact OD1-N 3.45Å; D516-I519 HydrophobicContact CB-CB 4.17Å; D516-I519 HydrophobicContact CB-CD1 4.31Å; D516-I519 HydrophobicContact CB-CG1 4.29Å; D516-I519 PolarHBondContact O-N 3.5Å; D516-I519 PolarHBondContact OD1-N 3.26Å; D516-H520 WeakPolarHBondContact O-CB 3.42Å; D516-H520 PolarHBondContact O-N 3.28Å | ||
| 517 | F | 91 | Very high | 87.9 | Confident | 23 Ų | 23 | 30 Ų | 30 | 10% | 0.101 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -21.5 | 179.3 | -70.5 | -70.2 | 0 | 0 | 0 | 114 | L423 Q424 N427 F506 I509 L515 L521 | L423-F517 HydrophobicContact CB-CD1 4.49Å; L423-F517 HydrophobicContact CD2-CB 4.44Å; L423-F517 HydrophobicContact CD2-CD1 3.69Å; L423-F517 HydrophobicContact CD2-CE1 4.47Å; L423-F517 HydrophobicContact CD2-CG 4.48Å; L423-F517 HydrophobicContact CG-CD1 3.73Å; L423-F517 HydrophobicContact CG-CE1 4.24Å; L423-F517 HydrophobicContact CG-CG 4.46Å; Q424-F517 HydrophobicContact CB-CD2 3.86Å; Q424-F517 HydrophobicContact CB-CE2 4.27Å; Q424-F517 HydrophobicContact CB-CG 4.48Å; Q424-F517 HydrophobicContact CG-CD2 4.04Å; Q424-F517 HydrophobicContact CG-CE2 4.18Å; N427-F517 HydrophobicContact CB-CE1 4.47Å; N427-F517 HydrophobicContact CB-CE2 4.5Å; N427-F517 HydrophobicContact CB-CZ 3.86Å; F506-F517 HydrophobicContact CD1-CE1 4.08Å; F506-F517 AromaticContact CE1-CE1 3.85Å; F506-F517 HydrophobicContact CE1-CE1 3.85Å; F506-F517 HydrophobicContact CE1-CZ 4.47Å; I509-F517 HydrophobicContact CD1-CD1 3.76Å; I509-F517 HydrophobicContact CD1-CE1 3.88Å; I509-F517 HydrophobicContact CD1-CG 4.38Å; I509-F517 HydrophobicContact CG1-CD1 4.22Å; I509-F517 HydrophobicContact CG1-CE1 3.8Å; I509-F517 HydrophobicContact CG1-CZ 4.22Å; L515-F517 PolarHBondContact O-N 3.06Å; F517-L521 WeakPolarHBondContact O-CB 3.43Å; F517-L521 WeakPolarHBondContact O-CG 3.31Å; F517-L521 PolarHBondContact O-N 3.43Å |
| 518 | H | 92.2 | Very high | 88 | Confident | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -79.1 | -49.4 | 176.4 | -171 | -146.6 | 0 | 0 | 0 | 110.7 | W402 F413 L416 R417 D516 H520 L521 V522 | W402-H518 AromaticContact CD1-ND1 3.8Å; W402-H518 AromaticContact NE1-CE1 3.44Å; W402-H518 PolarHBondContact NE1-CE1 3.1Å; W402-H518 AromaticContact NE1-CG 3.93Å; W402-H518 AromaticContact NE1-ND1 3.04Å; W402-H518 PolarHBondContact NE1-ND1 3.25Å; F413-H518 AromaticContact CD2-CE1 3.97Å; F413-H518 AromaticContact CE1-CE1 3.88Å; F413-H518 AromaticContact CE2-CE1 3.54Å; F413-H518 AromaticContact CZ-CE1 3.51Å; F413-H518 PolarHBondContact O-NE2 3.27Å; F413-H518 VanDerWaalsContact O-NE2 3.1Å; L416-H518 PolarHBondContact O-CD2 3.2Å; R417-H518 PolarHBondContact N-NE2 3.03Å; D516-H518 VanDerWaalsContact C-N 3.25Å; D516-H518 PolarHBondContact O-N 3.01Å; D516-H518 WeakPolarHBondContact OD1-CA 3.33Å; D516-H518 WeakPolarHBondContact OD1-CB 3.37Å; D516-H518 PolarHBondContact OD1-N 3.45Å; H518-H520 PolarHBondContact O-N 2.96Å; H518-L521 PolarHBondContact O-N 3.4Å; H518-V522 WeakPolarHBondContact O-CG2 3.39Å; H518-V522 PolarHBondContact O-N 3.45Å |
| 519 | I | 91.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.9 | -41.5 | 172 | -66.4 | 179.9 | 0 | 0 | 0 | 110.6 | Y80 L398 W402 V512 P513 D516 V522 R523 | Y80-I519 HydrophobicContact CD1-CD1 4.34Å; Y80-I519 HydrophobicContact CE1-CD1 3.56Å; Y80-I519 HydrophobicContact CE2-CD1 4.23Å; L398-I519 HydrophobicContact CB-CG2 3.89Å; L398-I519 HydrophobicContact CD1-CG2 4.02Å; W402-I519 HydrophobicContact CB-CG1 4.26Å; W402-I519 HydrophobicContact CG-CG1 4.04Å; V512-I519 HydrophobicContact CG1-CB 4Å; V512-I519 HydrophobicContact CG1-CG2 3.83Å; P513-I519 HydrophobicContact CG-CD1 4.03Å; D516-I519 HydrophobicContact CB-CB 4.17Å; D516-I519 HydrophobicContact CB-CD1 4.31Å; D516-I519 HydrophobicContact CB-CG1 4.29Å; D516-I519 PolarHBondContact O-N 3.5Å; D516-I519 PolarHBondContact OD1-N 3.26Å; I519-V522 PolarHBondContact O-N 3.08Å; I519-R523 PolarHBondContact O-N 3.48Å |
| 520 | H | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 177 | -170.5 | 47.1 | 0 | 0 | 0 | 112.2 | I504 L505 I509 V512 D516 H518 V522 R523 L524 | I504-H520 PolarHBondContact O-CE1 3.16Å; I504-H520 PolarHBondContact O-NE2 2.95Å; L505-H520 PolarHBondContact O-CD2 3.41Å; L505-H520 VanDerWaalsContact O-CD2 3.27Å; L505-H520 PolarHBondContact O-NE2 3.49Å; I509-H520 HydrophobicContact CD1-CB 3.55Å; V512-H520 HydrophobicContact CG1-CB 4.43Å; V512-H520 HydrophobicContact CG2-CB 4.07Å; D516-H520 WeakPolarHBondContact O-CB 3.42Å; D516-H520 PolarHBondContact O-N 3.28Å; H518-H520 PolarHBondContact O-N 2.96Å; H520-V522 VanDerWaalsContact C-N 3.33Å; H520-V522 PolarHBondContact O-N 3.29Å; H520-R523 WeakPolarHBondContact O-CB 3.48Å; H520-R523 PolarHBondContact O-N 3.3Å; H520-R523 VanDerWaalsContact O-N 3.16Å; H520-L524 WeakPolarHBondContact O-CG 3.47Å; H520-L524 PolarHBondContact O-N 2.78Å |
| 521 | L | 93.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 176.3 | -83.5 | 175 | 0 | 0 | 0 | 113.2 | L416 L419 S420 L423 F517 H518 L524 F525 F612 | L416-L521 HydrophobicContact CD2-CB 4.37Å; L419-L521 HydrophobicContact CB-CD1 3.94Å; L419-L521 HydrophobicContact CD2-CD1 4.06Å; L419-L521 HydrophobicContact CD2-CD2 4.24Å; L419-L521 HydrophobicContact CG-CD1 3.96Å; S420-L521 VanDerWaalsContact CA-CD1 3.48Å; L423-L521 HydrophobicContact CB-CD1 4.4Å; L423-L521 HydrophobicContact CD2-CD1 4.17Å; L423-L521 HydrophobicContact CD2-CD2 3.99Å; L423-L521 HydrophobicContact CD2-CG 3.8Å; F517-L521 WeakPolarHBondContact O-CB 3.43Å; F517-L521 WeakPolarHBondContact O-CG 3.31Å; F517-L521 PolarHBondContact O-N 3.43Å; H518-L521 PolarHBondContact O-N 3.4Å; L521-L524 PolarHBondContact O-N 3.13Å; L521-F525 WeakPolarHBondContact O-CB 3.32Å; L521-F525 PolarHBondContact O-N 2.94Å; L521-F612 HydrophobicContact CD2-CD2 4.18Å; L521-F612 HydrophobicContact CD2-CE2 4.17Å |
| 522 | V | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 174.1 | -179 | 0 | 0 | 0 | 0 | 111.4 | L405 L416 H518 I519 H520 F525 F526 | L405-V522 HydrophobicContact CB-CG1 3.96Å; L405-V522 HydrophobicContact CD2-CB 4.43Å; L405-V522 HydrophobicContact CD2-CG1 3.74Å; L405-V522 HydrophobicContact CD2-CG2 4.03Å; L416-V522 HydrophobicContact CD1-CG2 3.86Å; H518-V522 WeakPolarHBondContact O-CG2 3.39Å; H518-V522 PolarHBondContact O-N 3.45Å; I519-V522 PolarHBondContact O-N 3.08Å; H520-V522 VanDerWaalsContact C-N 3.33Å; H520-V522 PolarHBondContact O-N 3.29Å; V522-F525 PolarHBondContact O-N 3.4Å; V522-F526 HydrophobicContact CG1-CD2 3.92Å; V522-F526 HydrophobicContact CG1-CE2 3.73Å; V522-F526 WeakPolarHBondContact O-CD2 3.42Å; V522-F526 PolarHBondContact O-N 3.43Å |
| 523 | R | 91.1 | Very high | 89.6 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 170.6 | 173.6 | -174.1 | 174.7 | -102.3 | 0.5 | 111.3 | L398 D508 I519 H520 L527 | L398-R523 HydrophobicContact CD2-CB 4.27Å; L398-R523 HydrophobicContact CD2-CG 4.22Å; D508-R523 IonicContact OD2-CZ 3.29Å; D508-R523 VanDerWaalsContact OD2-CZ 3.24Å; D508-R523 IonicContact OD2-NH1 3.56Å; D508-R523 PolarHBondContact OD2-NH1 3.42Å; D508-R523 IonicContact OD2-NH2 2.79Å; D508-R523 PolarHBondContact OD2-NH2 2.99Å; I519-R523 PolarHBondContact O-N 3.48Å; H520-R523 WeakPolarHBondContact O-CB 3.48Å; H520-R523 PolarHBondContact O-N 3.3Å; H520-R523 VanDerWaalsContact O-N 3.16Å; R523-L527 HydrophobicContact CG-CD1 3.89Å; R523-L527 HydrophobicContact CG-CG 4.49Å; R523-L527 WeakPolarHBondContact O-CB 3.23Å; R523-L527 VanDerWaalsContact O-CG 3.26Å; R523-L527 WeakPolarHBondContact O-CG 3.21Å; R523-L527 PolarHBondContact O-N 2.67Å |
| 524 | L | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 178.8 | -66.2 | -168.5 | 0 | 0 | 0 | 112.1 | I504 L505 H520 L521 L527 N528 V529 F612 | I504-L524 HydrophobicContact CD1-CD2 4.15Å; I504-L524 HydrophobicContact CG1-CD2 3.75Å; I504-L524 HydrophobicContact CG2-CD2 4.43Å; L505-L524 HydrophobicContact CD2-CD1 3.84Å; H520-L524 WeakPolarHBondContact O-CG 3.47Å; H520-L524 PolarHBondContact O-N 2.78Å; L521-L524 PolarHBondContact O-N 3.13Å; L524-L527 CarbonylContact O-C 3.59Å; L524-L527 PolarHBondContact O-N 3.3Å; L524-N528 PolarHBondContact O-N 3.45Å; L524-N528 VanDerWaalsContact O-N 3.14Å; L524-V529 HydrophobicContact CB-CG2 3.81Å; L524-V529 HydrophobicContact CD2-CG1 4.34Å; L524-V529 HydrophobicContact CD2-CG2 4.4Å; L524-V529 HydrophobicContact CG-CG2 4.45Å; L524-F612 HydrophobicContact CB-CE2 4.28Å; L524-F612 HydrophobicContact CB-CZ 3.97Å |
| 525 | F | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -52.9 | 177.2 | 169 | -93.4 | 0 | 0 | 0 | 111.5 | L405 L416 L521 V522 L527 N528 F612 L615 V616 N619 I623 | L405-F525 HydrophobicContact CD1-CD1 4.47Å; L405-F525 HydrophobicContact CD1-CE1 3.7Å; L405-F525 HydrophobicContact CD1-CZ 4.11Å; L405-F525 HydrophobicContact CD2-CD1 3.86Å; L405-F525 HydrophobicContact CD2-CE1 3.89Å; L405-F525 HydrophobicContact CD2-CG 4.46Å; L405-F525 HydrophobicContact CD2-CZ 4.48Å; L405-F525 HydrophobicContact CG-CE1 4.45Å; L416-F525 HydrophobicContact CD1-CB 4.01Å; L416-F525 HydrophobicContact CD1-CD2 4.32Å; L416-F525 HydrophobicContact CD1-CG 4.12Å; L521-F525 WeakPolarHBondContact O-CB 3.32Å; L521-F525 PolarHBondContact O-N 2.94Å; V522-F525 PolarHBondContact O-N 3.4Å; F525-L527 VanDerWaalsContact C-N 3.33Å; F525-L527 PolarHBondContact O-N 3.37Å; F525-N528 PolarHBondContact O-N 3Å; F525-F612 HydrophobicContact CB-CE2 4.14Å; F525-F612 HydrophobicContact CB-CZ 4.34Å; F525-L615 HydrophobicContact CD2-CD2 4.29Å; F525-L615 HydrophobicContact CD2-CG 4.47Å; F525-L615 HydrophobicContact CE2-CD2 4.24Å; F525-L615 HydrophobicContact CE2-CG 4.06Å; F525-V616 HydrophobicContact CD2-CG2 3.8Å; F525-V616 HydrophobicContact CE2-CG2 4.37Å; F525-N619 HydrophobicContact CE2-CB 3.91Å; F525-N619 HydrophobicContact CZ-CB 3.57Å; F525-I623 HydrophobicContact CD1-CD1 4.35Å; F525-I623 HydrophobicContact CD1-CG1 4.19Å; F525-I623 HydrophobicContact CD2-CD1 4.15Å; F525-I623 HydrophobicContact CE1-CD1 4.06Å; F525-I623 HydrophobicContact CE1-CG1 3.7Å; F525-I623 HydrophobicContact CE2-CD1 3.85Å; F525-I623 HydrophobicContact CE2-CG1 4.36Å; F525-I623 HydrophobicContact CG-CD1 4.4Å; F525-I623 HydrophobicContact CZ-CD1 3.82Å; F525-I623 HydrophobicContact CZ-CG1 3.81Å |
| 526 | F | 90.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.8 | -23.4 | 176.5 | -72 | -66.6 | 0 | 0 | 0 | 114.4 | T401 F404 L405 V522 N528 L622 I623 V626 I628 | T401-F526 HydrophobicContact CG2-CD2 3.43Å; T401-F526 VanDerWaalsContact CG2-CD2 3.43Å; T401-F526 HydrophobicContact CG2-CE2 3.75Å; T401-F526 HydrophobicContact CG2-CG 4.35Å; F404-F526 HydrophobicContact CD1-CE1 4.39Å; F404-F526 HydrophobicContact CD1-CE2 4.49Å; F404-F526 AromaticContact CD1-CZ 3.76Å; F404-F526 HydrophobicContact CD1-CZ 3.76Å; F404-F526 HydrophobicContact CE1-CE1 4.3Å; F404-F526 HydrophobicContact CE1-CZ 4.06Å; L405-F526 HydrophobicContact CB-CE2 3.89Å; L405-F526 HydrophobicContact CB-CZ 3.99Å; L405-F526 HydrophobicContact CD1-CZ 4.17Å; L405-F526 HydrophobicContact CD2-CE2 4.46Å; V522-F526 HydrophobicContact CG1-CD2 3.92Å; V522-F526 HydrophobicContact CG1-CE2 3.73Å; V522-F526 WeakPolarHBondContact O-CD2 3.42Å; V522-F526 PolarHBondContact O-N 3.43Å; F526-N528 PolarHBondContact O-N 2.82Å; F526-L622 HydrophobicContact CE1-CG 4.49Å; F526-I623 HydrophobicContact CD1-CG1 4.34Å; F526-V626 HydrophobicContact CD1-CB 4.25Å; F526-V626 HydrophobicContact CD1-CG2 4.31Å; F526-V626 HydrophobicContact CE1-CB 4.28Å; F526-V626 HydrophobicContact CE1-CG2 3.83Å; F526-I628 HydrophobicContact CB-CD1 3.5Å; F526-I628 VanDerWaalsContact CB-CD1 3.5Å; F526-I628 HydrophobicContact CD1-CD1 4.19Å; F526-I628 HydrophobicContact CD2-CD1 4.11Å; F526-I628 HydrophobicContact CG-CD1 3.69Å |
| 527 | L | 88.5 | Confident | 90.9 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 16% | 0.157 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.4 | -8.2 | 169.3 | -74.2 | 174.5 | 0 | 0 | 0 | 112.6 | R523 L524 F525 V529 I628 K629 | R523-L527 HydrophobicContact CG-CD1 3.89Å; R523-L527 HydrophobicContact CG-CG 4.49Å; R523-L527 WeakPolarHBondContact O-CB 3.23Å; R523-L527 VanDerWaalsContact O-CG 3.26Å; R523-L527 WeakPolarHBondContact O-CG 3.21Å; R523-L527 PolarHBondContact O-N 2.67Å; L524-L527 CarbonylContact O-C 3.59Å; L524-L527 PolarHBondContact O-N 3.3Å; F525-L527 VanDerWaalsContact C-N 3.33Å; F525-L527 PolarHBondContact O-N 3.37Å; L527-V529 HydrophobicContact CB-CG1 3.68Å; L527-I628 HydrophobicContact CD2-CG2 4.17Å; L527-K629 WeakPolarHBondContact O-CE 3.42Å; L527-K629 PolarHBondContact O-NZ 3Å |
| 528 | N | 90 | Very high | 90.7 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 39.8 | 74.7 | -174.9 | -177 | 7.8 | 0 | 0 | 0 | 111.4 | L524 F525 F526 V616 I623 | L524-N528 PolarHBondContact O-N 3.45Å; L524-N528 VanDerWaalsContact O-N 3.14Å; F525-N528 PolarHBondContact O-N 3Å; F526-N528 PolarHBondContact O-N 2.82Å; N528-V616 WeakPolarHBondContact OD1-CG1 3.44Å; N528-I623 HydrophobicContact CB-CG2 4.35Å |
| 529 | V | 90 | Very high | 90.2 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | trans | -98.3 | 19.8 | -173.9 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | I504 L524 L527 D531 E532 L533 F612 | I504-V529 HydrophobicContact CD1-CG1 3.86Å; I504-V529 HydrophobicContact CG2-CB 4.39Å; L524-V529 HydrophobicContact CB-CG2 3.81Å; L524-V529 HydrophobicContact CD2-CG1 4.34Å; L524-V529 HydrophobicContact CD2-CG2 4.4Å; L524-V529 HydrophobicContact CG-CG2 4.45Å; L527-V529 HydrophobicContact CB-CG1 3.68Å; V529-D531 VanDerWaalsContact C-N 3.31Å; V529-D531 PolarHBondContact O-N 3.04Å; V529-E532 HydrophobicContact CB-CB 4.43Å; V529-E532 WeakPolarHBondContact O-CB 3.26Å; V529-E532 PolarHBondContact O-N 3.3Å; V529-L533 HydrophobicContact CB-CD1 4.31Å; V529-L533 HydrophobicContact CG2-CD1 3.7Å; V529-L533 WeakPolarHBondContact O-CD1 3.4Å; V529-L533 PolarHBondContact O-N 2.85Å; V529-F612 HydrophobicContact CG2-CE1 3.75Å; V529-F612 HydrophobicContact CG2-CZ 3.86Å | ||
| 530 | V | 91.6 | Very high | 89.4 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -46.7 | -177.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | E532 L533 D534 F612 V616 | V530-E532 VanDerWaalsContact C-N 3.25Å; V530-E532 PolarHBondContact O-N 2.96Å; V530-L533 PolarHBondContact O-N 3.31Å; V530-L533 VanDerWaalsContact O-N 3.09Å; V530-D534 PolarHBondContact O-N 2.9Å; V530-F612 HydrophobicContact CG2-CE1 4.46Å; V530-V616 HydrophobicContact CG2-CB 3.94Å; V530-V616 HydrophobicContact CG2-CG1 3.73Å; V530-V616 HydrophobicContact CG2-CG2 4.23Å |
| 531 | D | 91.1 | Very high | 88.4 | Confident | 128 Ų | 128 | 40.4 Ų | 40.4 | 68% | 0.684 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -57.9 | -35.5 | 176.7 | -53.2 | -39.9 | 0 | 0 | 0 | 112.7 | V529 H535 | V529-D531 VanDerWaalsContact C-N 3.31Å; V529-D531 PolarHBondContact O-N 3.04Å; D531-H535 WeakPolarHBondContact O-CB 3.45Å; D531-H535 PolarHBondContact O-N 3.27Å |
| 532 | E | 89.1 | Confident | 87 | Confident | 96 Ų | 96 | 46.3 Ų | 46.3 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.4 | -35.3 | 177.3 | -66.6 | -171.4 | -149.2 | 0 | 0 | 112.2 | I504 V529 V530 L536 | I504-E532 WeakPolarHBondContact CB-OE2 3.29Å; I504-E532 VanDerWaalsContact CD1-OE2 3.29Å; I504-E532 WeakPolarHBondContact CD1-OE2 3.13Å; I504-E532 HydrophobicContact CG2-CB 4.33Å; I504-E532 WeakPolarHBondContact CG2-OE2 3.33Å; V529-E532 HydrophobicContact CB-CB 4.43Å; V529-E532 WeakPolarHBondContact O-CB 3.26Å; V529-E532 PolarHBondContact O-N 3.3Å; V530-E532 VanDerWaalsContact C-N 3.25Å; V530-E532 PolarHBondContact O-N 2.96Å; E532-L536 WeakPolarHBondContact O-CB 3.4Å; E532-L536 PolarHBondContact O-N 2.67Å |
| 533 | L | 91.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | 174.2 | -91 | 71.6 | 0 | 0 | 0 | 111.8 | I504 L505 V529 V530 L536 A537 F605 R609 F612 | I504-L533 HydrophobicContact CG2-CD1 4.41Å; L505-L533 HydrophobicContact CD2-CD1 4.23Å; V529-L533 HydrophobicContact CB-CD1 4.31Å; V529-L533 HydrophobicContact CG2-CD1 3.7Å; V529-L533 WeakPolarHBondContact O-CD1 3.4Å; V529-L533 PolarHBondContact O-N 2.85Å; V530-L533 PolarHBondContact O-N 3.31Å; V530-L533 VanDerWaalsContact O-N 3.09Å; L533-L536 PolarHBondContact O-N 2.86Å; L533-A537 WeakPolarHBondContact O-CB 3.31Å; L533-A537 PolarHBondContact O-N 3.05Å; L533-F605 HydrophobicContact CG-CE2 4.47Å; L533-R609 HydrophobicContact CB-CG 4.21Å; L533-R609 HydrophobicContact CD2-CB 4.32Å; L533-R609 HydrophobicContact CD2-CG 4.39Å; L533-F612 HydrophobicContact CD2-CD1 3.96Å; L533-F612 HydrophobicContact CD2-CG 4.42Å |
| 534 | D | 91 | Very high | 84.4 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.9 | -36.2 | 174.6 | -75.3 | -33.9 | 0 | 0 | 0 | 111.4 | V530 A537 N538 R609 | V530-D534 PolarHBondContact O-N 2.9Å; D534-A537 PolarHBondContact O-N 3.33Å; D534-N538 VanDerWaalsContact O-CG 3.27Å; D534-N538 PolarHBondContact O-N 2.78Å; D534-N538 PolarHBondContact O-ND2 3.48Å; D534-R609 WeakPolarHBondContact OD1-CD 3.44Å; D534-R609 IonicContact OD1-CZ 3.67Å; D534-R609 IonicContact OD1-NE 3.52Å; D534-R609 IonicContact OD1-NH1 3.62Å; D534-R609 PolarHBondContact OD1-NH1 3.13Å |
| 535 | H | 90.3 | Very high | 82.9 | Confident | 114 Ų | 114 | 53.2 Ų | 53.2 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 170.4 | -168.3 | 73 | 0 | 0 | 0 | 112.2 | D531 A537 N538 Q539 | D531-H535 WeakPolarHBondContact O-CB 3.45Å; D531-H535 PolarHBondContact O-N 3.27Å; H535-A537 VanDerWaalsContact C-N 3.34Å; H535-A537 PolarHBondContact O-N 2.96Å; H535-N538 PolarHBondContact O-N 3.05Å; H535-Q539 PolarHBondContact CD2-NE2 3.07Å; H535-Q539 VanDerWaalsContact CD2-NE2 3.32Å; H535-Q539 PolarHBondContact NE2-NE2 2.69Å; H535-Q539 WeakPolarHBondContact O-CG 3.33Å; H535-Q539 PolarHBondContact O-N 3.37Å |
| 536 | L | 88 | Confident | 81.4 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 174.5 | 178.3 | 66.1 | 0 | 0 | 0 | 111.7 | L499 F500 L505 E532 L533 N538 Q539 S540 F605 | L499-L536 HydrophobicContact CB-CD1 4.33Å; F500-L536 HydrophobicContact CD1-CD2 4.23Å; F500-L536 HydrophobicContact CE1-CD2 4.08Å; L505-L536 HydrophobicContact CD1-CD2 4.14Å; E532-L536 WeakPolarHBondContact O-CB 3.4Å; E532-L536 PolarHBondContact O-N 2.67Å; L533-L536 PolarHBondContact O-N 2.86Å; L536-N538 PolarHBondContact O-N 3.27Å; L536-Q539 PolarHBondContact O-N 2.83Å; L536-S540 PolarHBondContact O-N 3.27Å; L536-F605 HydrophobicContact CB-CZ 4.23Å; L536-F605 HydrophobicContact CD2-CE1 4.47Å; L536-F605 HydrophobicContact CD2-CE2 3.81Å; L536-F605 HydrophobicContact CD2-CZ 3.72Å; L536-F605 HydrophobicContact CG-CE1 4.41Å; L536-F605 HydrophobicContact CG-CZ 3.94Å |
| 537 | A | 86.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L533 D534 H535 Q539 S540 L541 F605 | L533-A537 WeakPolarHBondContact O-CB 3.31Å; L533-A537 PolarHBondContact O-N 3.05Å; D534-A537 PolarHBondContact O-N 3.33Å; H535-A537 VanDerWaalsContact C-N 3.34Å; H535-A537 PolarHBondContact O-N 2.96Å; A537-Q539 VanDerWaalsContact C-N 3.32Å; A537-S540 WeakPolarHBondContact CA-OG 3.49Å; A537-S540 PolarHBondContact O-N 3.32Å; A537-S540 PolarHBondContact O-OG 3.09Å; A537-L541 WeakPolarHBondContact O-CB 3.43Å; A537-L541 PolarHBondContact O-N 3.41Å; A537-F605 HydrophobicContact CB-CE1 3.76Å; A537-F605 HydrophobicContact CB-CZ 4.09Å |
| 538 | N | 86.3 | Confident | 79.2 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | 173.2 | -70.9 | -37.5 | 0 | 0 | 0 | 111.8 | D534 H535 L536 H542 | D534-N538 VanDerWaalsContact O-CG 3.27Å; D534-N538 PolarHBondContact O-N 2.78Å; D534-N538 PolarHBondContact O-ND2 3.48Å; H535-N538 PolarHBondContact O-N 3.05Å; L536-N538 PolarHBondContact O-N 3.27Å; N538-H542 PolarHBondContact O-ND1 3.47Å |
| 539 | Q | 82.4 | Confident | 78.3 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72 | -43.3 | 171.9 | -67.3 | -176 | 4 | 0 | 0 | 112.4 | L499 H535 L536 A537 H542 | L499-Q539 HydrophobicContact CD1-CB 4.07Å; H535-Q539 PolarHBondContact CD2-NE2 3.07Å; H535-Q539 VanDerWaalsContact CD2-NE2 3.32Å; H535-Q539 PolarHBondContact NE2-NE2 2.69Å; H535-Q539 WeakPolarHBondContact O-CG 3.33Å; H535-Q539 PolarHBondContact O-N 3.37Å; L536-Q539 PolarHBondContact O-N 2.83Å; A537-Q539 VanDerWaalsContact C-N 3.32Å; Q539-H542 PolarHBondContact O-N 3.46Å |
| 540 | S | 74.9 | Confident | 77.4 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | -179.6 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | L536 A537 H542 N543 D544 | L536-S540 PolarHBondContact O-N 3.27Å; A537-S540 WeakPolarHBondContact CA-OG 3.49Å; A537-S540 PolarHBondContact O-N 3.32Å; A537-S540 PolarHBondContact O-OG 3.09Å; S540-H542 VanDerWaalsContact C-N 3.26Å; S540-H542 PolarHBondContact O-N 2.98Å; S540-N543 PolarHBondContact O-N 3.03Å; S540-D544 WeakPolarHBondContact O-CB 3.45Å; S540-D544 PolarHBondContact O-N 2.93Å |
| 541 | L | 72.2 | Confident | 76.2 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.9 | -36.3 | 179.4 | -176.4 | 66.8 | 0 | 0 | 0 | 113.6 | A537 L545 | A537-L541 WeakPolarHBondContact O-CB 3.43Å; A537-L541 PolarHBondContact O-N 3.41Å; L541-L545 WeakPolarHBondContact O-CB 3.46Å; L541-L545 PolarHBondContact O-N 3.43Å; L541-L545 VanDerWaalsContact O-N 3.12Å |
| 542 | H | 63.2 | Low | 75.3 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.3 | -46 | 175.8 | -75.6 | 81.3 | 0 | 0 | 0 | 111.4 | N538 Q539 S540 D544 F546 | N538-H542 PolarHBondContact O-ND1 3.47Å; Q539-H542 PolarHBondContact O-N 3.46Å; S540-H542 VanDerWaalsContact C-N 3.26Å; S540-H542 PolarHBondContact O-N 2.98Å; H542-D544 VanDerWaalsContact C-N 3.35Å; H542-F546 WeakPolarHBondContact O-CD2 3.3Å; H542-F546 PolarHBondContact O-N 2.96Å |
| 543 | N | 64.6 | Low | 74.5 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 177.6 | -75.1 | 0.4 | 0 | 0 | 0 | 112.2 | L492 L499 S540 F546 S547 | L492-N543 HydrophobicContact CD1-CB 3.97Å; L499-N543 WeakPolarHBondContact CD1-ND2 3.33Å; S540-N543 PolarHBondContact O-N 3.03Å; N543-F546 PolarHBondContact O-N 3.09Å; N543-S547 WeakPolarHBondContact O-CB 3.4Å; N543-S547 PolarHBondContact O-N 3.1Å |
| 544 | D | 65.3 | Low | 73.4 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -42.7 | -179.5 | -154.1 | 42.5 | 0 | 0 | 0 | 111.2 | S540 H542 F546 S547 D548 | S540-D544 WeakPolarHBondContact O-CB 3.45Å; S540-D544 PolarHBondContact O-N 2.93Å; H542-D544 VanDerWaalsContact C-N 3.35Å; D544-F546 VanDerWaalsContact C-N 3.33Å; D544-F546 PolarHBondContact O-N 3.04Å; D544-S547 WeakPolarHBondContact O-CA 3.21Å; D544-S547 WeakPolarHBondContact O-CB 3.42Å; D544-S547 PolarHBondContact O-N 3.48Å; D544-D548 PolarHBondContact O-N 3.04Å |
| 545 | L | 60.7 | Low | 72.5 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 61% | 0.613 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 173 | -176.7 | 64.8 | 0 | 0 | 0 | 112.7 | L541 V549 | L541-L545 WeakPolarHBondContact O-CB 3.46Å; L541-L545 PolarHBondContact O-N 3.43Å; L541-L545 VanDerWaalsContact O-N 3.12Å; L545-V549 VanDerWaalsContact O-CG2 3.28Å; L545-V549 WeakPolarHBondContact O-CG2 3.48Å; L545-V549 PolarHBondContact O-N 3.36Å |
| 546 | F | 60.4 | Low | 71.7 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.1 | -31.5 | 172.8 | -73.6 | -61.8 | 0 | 0 | 0 | 112.8 | L492 H542 N543 D544 T550 | L492-F546 HydrophobicContact CD2-CB 4.14Å; H542-F546 WeakPolarHBondContact O-CD2 3.3Å; H542-F546 PolarHBondContact O-N 2.96Å; N543-F546 PolarHBondContact O-N 3.09Å; D544-F546 VanDerWaalsContact C-N 3.33Å; D544-F546 PolarHBondContact O-N 3.04Å; F546-T550 WeakPolarHBondContact O-CB 3.19Å; F546-T550 WeakPolarHBondContact O-CG2 3.28Å; F546-T550 PolarHBondContact O-N 3.08Å; F546-T550 VanDerWaalsContact O-N 3.08Å; F546-T550 PolarHBondContact O-OG1 3.32Å |
| 547 | S | 67.3 | Low | 70.8 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -57.6 | 177 | -174 | 0 | 0 | 0 | 0 | 109.7 | L492 N543 D544 V549 T550 M551 | L492-S547 VanDerWaalsContact CD2-CA 3.46Å; N543-S547 WeakPolarHBondContact O-CB 3.4Å; N543-S547 PolarHBondContact O-N 3.1Å; D544-S547 WeakPolarHBondContact O-CA 3.21Å; D544-S547 WeakPolarHBondContact O-CB 3.42Å; D544-S547 PolarHBondContact O-N 3.48Å; S547-V549 VanDerWaalsContact C-N 3.33Å; S547-V549 PolarHBondContact O-N 3.35Å; S547-T550 PolarHBondContact O-N 2.94Å; S547-T550 PolarHBondContact O-OG1 2.98Å; S547-M551 WeakPolarHBondContact O-CB 3.4Å; S547-M551 PolarHBondContact O-N 3.28Å |
| 548 | D | 67.4 | Low | 69.9 | Low | 52 Ų | 52 | 63.6 Ų | 63.6 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 179 | -94.5 | -6.9 | 0 | 0 | 0 | 112.1 | D544 M551 L552 | D544-D548 PolarHBondContact O-N 3.04Å; D548-M551 WeakPolarHBondContact OD1-CE 3.43Å; D548-L552 WeakPolarHBondContact O-CB 3.42Å; D548-L552 WeakPolarHBondContact O-CD1 3.34Å; D548-L552 WeakPolarHBondContact O-CG 3.21Å; D548-L552 PolarHBondContact O-N 3.16Å |
| 549 | V | 70.7 | Confident | 69.2 | Low | 91 Ų | 91 | 64.7 Ų | 64.7 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 179.1 | 171.7 | 0 | 0 | 0 | 0 | 112.4 | L545 S547 D553 | L545-V549 VanDerWaalsContact O-CG2 3.28Å; L545-V549 WeakPolarHBondContact O-CG2 3.48Å; L545-V549 PolarHBondContact O-N 3.36Å; S547-V549 VanDerWaalsContact C-N 3.33Å; S547-V549 PolarHBondContact O-N 3.35Å; V549-D553 PolarHBondContact O-N 3.21Å; V549-D553 VanDerWaalsContact O-N 3.09Å |
| 550 | T | 70.4 | Confident | 68.5 | Low | 40 Ų | 40 | 65.3 Ų | 65.3 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.1 | -33.9 | -179.5 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | F546 S547 L554 | F546-T550 WeakPolarHBondContact O-CB 3.19Å; F546-T550 WeakPolarHBondContact O-CG2 3.28Å; F546-T550 PolarHBondContact O-N 3.08Å; F546-T550 VanDerWaalsContact O-N 3.08Å; F546-T550 PolarHBondContact O-OG1 3.32Å; S547-T550 PolarHBondContact O-N 2.94Å; S547-T550 PolarHBondContact O-OG1 2.98Å; T550-L554 WeakPolarHBondContact O-CB 3.4Å; T550-L554 PolarHBondContact O-N 3.39Å |
| 551 | M | 68 | Low | 68.1 | Low | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73 | -40.1 | 177.9 | -175.6 | 164.5 | 53.8 | 0 | 0 | 112.1 | S547 D548 L554 Q555 Q595 | S547-M551 WeakPolarHBondContact O-CB 3.4Å; S547-M551 PolarHBondContact O-N 3.28Å; D548-M551 WeakPolarHBondContact OD1-CE 3.43Å; M551-L554 PolarHBondContact O-N 2.91Å; M551-Q555 WeakPolarHBondContact O-CB 3.49Å; M551-Q555 WeakPolarHBondContact O-CG 3.28Å; M551-Q555 PolarHBondContact O-N 3.47Å; M551-Q595 HydrophobicContact CE-CB 4.24Å; M551-Q595 HydrophobicContact CE-CG 3.64Å; M551-Q595 HydrophobicContact CG-CB 4.37Å; M551-Q595 HydrophobicContact CG-CG 4.41Å; M551-Q595 HydrophobicContact SD-CB 3.35Å; M551-Q595 WeakPolarHBondContact SD-CB 3.45Å; M551-Q595 HydrophobicContact SD-CG 3.44Å; M551-Q595 WeakPolarHBondContact SD-CG 3.41Å |
| 552 | L | 70.6 | Confident | 67.7 | Low | 98 Ų | 98 | 65.8 Ų | 65.8 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 172.6 | -76.8 | 165.2 | 0 | 0 | 0 | 112 | D548 R556 | D548-L552 WeakPolarHBondContact O-CB 3.42Å; D548-L552 WeakPolarHBondContact O-CD1 3.34Å; D548-L552 WeakPolarHBondContact O-CG 3.21Å; D548-L552 PolarHBondContact O-N 3.16Å; L552-R556 WeakPolarHBondContact O-CB 3.46Å; L552-R556 PolarHBondContact O-N 3.31Å |
| 553 | D | 72.9 | Confident | 67.6 | Low | 56 Ų | 56 | 65.9 Ų | 65.9 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.4 | -169.4 | 43 | 0 | 0 | 0 | 110.9 | M485 V549 R556 K557 | M485-D553 WeakPolarHBondContact CE-OD2 3.41Å; V549-D553 PolarHBondContact O-N 3.21Å; V549-D553 VanDerWaalsContact O-N 3.09Å; D553-R556 PolarHBondContact O-N 3.29Å; D553-K557 WeakPolarHBondContact O-CB 3.33Å; D553-K557 VanDerWaalsContact O-CG 3.32Å; D553-K557 WeakPolarHBondContact O-CG 3.33Å; D553-K557 PolarHBondContact O-N 3.05Å; D553-K557 VanDerWaalsContact OD1-CE 3.23Å; D553-K557 WeakPolarHBondContact OD1-CE 3.4Å; D553-K557 IonicContact OD1-NZ 3.11Å; D553-K557 VanDerWaalsContact OD2-CE 3.31Å; D553-K557 WeakPolarHBondContact OD2-CE 3.47Å; D553-K557 IonicContact OD2-NZ 3.21Å; D553-K557 PolarHBondContact OD2-NZ 2.91Å |
| 554 | L | 69 | Low | 67.3 | Low | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.4 | -175.2 | 136.3 | 0 | 0 | 0 | 112.3 | M485 T550 M551 R556 K557 T558 I591 | M485-L554 HydrophobicContact CB-CD1 3.47Å; M485-L554 VanDerWaalsContact CB-CD1 3.47Å; M485-L554 HydrophobicContact CG-CD1 4.44Å; M485-L554 HydrophobicContact SD-CB 4.02Å; M485-L554 HydrophobicContact SD-CD1 4.13Å; M485-L554 HydrophobicContact SD-CG 4.46Å; T550-L554 WeakPolarHBondContact O-CB 3.4Å; T550-L554 PolarHBondContact O-N 3.39Å; M551-L554 PolarHBondContact O-N 2.91Å; L554-R556 PolarHBondContact O-N 2.97Å; L554-K557 PolarHBondContact O-N 3.44Å; L554-T558 WeakPolarHBondContact O-CB 3.26Å; L554-T558 PolarHBondContact O-N 3.37Å; L554-T558 PolarHBondContact O-OG1 3.25Å; L554-I591 HydrophobicContact CD2-CD1 3.39Å; L554-I591 HydrophobicContact CD2-CG1 4.39Å; L554-I591 HydrophobicContact CD2-CG2 3.91Å |
| 555 | Q | 70.5 | Confident | 66.6 | Low | 37 Ų | 37 | 67.7 Ų | 67.7 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 172.8 | -82.2 | 179.8 | -26 | 0 | 0 | 111.4 | M551 K557 T558 H559 | M551-Q555 WeakPolarHBondContact O-CB 3.49Å; M551-Q555 WeakPolarHBondContact O-CG 3.28Å; M551-Q555 PolarHBondContact O-N 3.47Å; Q555-K557 VanDerWaalsContact C-N 3.34Å; Q555-K557 PolarHBondContact O-N 2.85Å; Q555-T558 PolarHBondContact O-N 2.94Å; Q555-H559 WeakPolarHBondContact O-CB 3.44Å; Q555-H559 PolarHBondContact O-CD2 2.92Å; Q555-H559 VanDerWaalsContact O-CD2 3.27Å; Q555-H559 PolarHBondContact O-N 3.47Å |
| 556 | R | 73.5 | Confident | 66.1 | Low | 169 Ų | 169 | 67.1 Ų | 67.1 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 178.4 | -178.7 | 179.5 | -174.8 | 164.4 | 3.2 | 111.2 | L552 D553 L554 H559 Q560 | L552-R556 WeakPolarHBondContact O-CB 3.46Å; L552-R556 PolarHBondContact O-N 3.31Å; D553-R556 PolarHBondContact O-N 3.29Å; L554-R556 PolarHBondContact O-N 2.97Å; R556-H559 PolarHBondContact O-N 3.4Å; R556-Q560 WeakPolarHBondContact O-CB 3.41Å; R556-Q560 VanDerWaalsContact O-CG 3.26Å; R556-Q560 WeakPolarHBondContact O-CG 3.44Å; R556-Q560 PolarHBondContact O-N 2.97Å |
| 557 | K | 70.5 | Confident | 65.6 | Low | 47 Ų | 47 | 68 Ų | 68 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 179.4 | -74.3 | 172.1 | 172.4 | 172.2 | 0 | 112.7 | M477 E481 M485 D553 L554 Q555 Q560 C561 | M477-K557 HydrophobicContact CE-CD 4.05Å; M477-K557 HydrophobicContact CG-CB 3.69Å; M477-K557 HydrophobicContact CG-CD 3.98Å; M477-K557 HydrophobicContact CG-CG 4.2Å; M477-K557 HydrophobicContact SD-CB 3.49Å; M477-K557 WeakPolarHBondContact SD-CB 3.44Å; M477-K557 HydrophobicContact SD-CD 3.89Å; M477-K557 HydrophobicContact SD-CG 4.27Å; E481-K557 IonicContact OE1-NZ 3.84Å; E481-K557 PolarHBondContact OE1-NZ 3.07Å; M485-K557 HydrophobicContact CE-CD 3.96Å; M485-K557 VanDerWaalsContact CE-NZ 3.32Å; D553-K557 WeakPolarHBondContact O-CB 3.33Å; D553-K557 VanDerWaalsContact O-CG 3.32Å; D553-K557 WeakPolarHBondContact O-CG 3.33Å; D553-K557 PolarHBondContact O-N 3.05Å; D553-K557 VanDerWaalsContact OD1-CE 3.23Å; D553-K557 WeakPolarHBondContact OD1-CE 3.4Å; D553-K557 IonicContact OD1-NZ 3.11Å; D553-K557 VanDerWaalsContact OD2-CE 3.31Å; D553-K557 WeakPolarHBondContact OD2-CE 3.47Å; D553-K557 IonicContact OD2-NZ 3.21Å; D553-K557 PolarHBondContact OD2-NZ 2.91Å; L554-K557 PolarHBondContact O-N 3.44Å; Q555-K557 VanDerWaalsContact C-N 3.34Å; Q555-K557 PolarHBondContact O-N 2.85Å; K557-Q560 PolarHBondContact O-N 3.07Å; K557-C561 WeakPolarHBondContact O-CB 3.35Å; K557-C561 PolarHBondContact O-N 3.49Å |
| 558 | T | 67.8 | Low | 64.6 | Low | 17 Ų | 17 | 73.6 Ų | 73.6 | 10% | 0.104 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 171.3 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L554 Q555 C561 K562 L584 | L554-T558 WeakPolarHBondContact O-CB 3.26Å; L554-T558 PolarHBondContact O-N 3.37Å; L554-T558 PolarHBondContact O-OG1 3.25Å; Q555-T558 PolarHBondContact O-N 2.94Å; T558-C561 PolarHBondContact O-N 3.04Å; T558-K562 WeakPolarHBondContact O-CB 3.42Å; T558-K562 PolarHBondContact O-N 3.14Å; T558-L584 HydrophobicContact CG2-CD2 4.06Å; T558-L584 HydrophobicContact CG2-CG 4.4Å |
| 559 | H | 70.3 | Confident | 63.4 | Low | 116 Ų | 116 | 76 Ų | 76 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 174.5 | -89.4 | -82 | 0 | 0 | 0 | 112.7 | Q555 R556 K562 Q563 | Q555-H559 WeakPolarHBondContact O-CB 3.44Å; Q555-H559 PolarHBondContact O-CD2 2.92Å; Q555-H559 VanDerWaalsContact O-CD2 3.27Å; Q555-H559 PolarHBondContact O-N 3.47Å; R556-H559 PolarHBondContact O-N 3.4Å; H559-K562 PolarHBondContact O-N 2.82Å; H559-Q563 WeakPolarHBondContact O-CG 3.33Å; H559-Q563 PolarHBondContact O-N 3.19Å |
| 560 | Q | 68.8 | Low | 62 | Low | 88 Ų | 88 | 81.7 Ų | 81.7 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.8 | -77.7 | 171 | -42.4 | 0 | 0 | 111 | R556 K557 K562 Q563 T564 | R556-Q560 WeakPolarHBondContact O-CB 3.41Å; R556-Q560 VanDerWaalsContact O-CG 3.26Å; R556-Q560 WeakPolarHBondContact O-CG 3.44Å; R556-Q560 PolarHBondContact O-N 2.97Å; K557-Q560 PolarHBondContact O-N 3.07Å; Q560-K562 VanDerWaalsContact C-N 3.34Å; Q560-K562 PolarHBondContact O-N 3.13Å; Q560-Q563 PolarHBondContact O-N 3.45Å; Q560-Q563 VanDerWaalsContact O-N 3.11Å; Q560-T564 PolarHBondContact O-N 2.67Å; Q560-T564 PolarHBondContact O-OG1 3.29Å |
| 561 | C | 65 | Low | 60.8 | Low | 12 Ų | 12 | 87.1 Ų | 87.1 | 8% | 0.081 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | C476 K557 T558 Q563 T564 N565 L584 | C476-C561 HydrophobicContact CB-CB 3.81Å; C476-C561 WeakPolarHBondContact CB-SG 3.38Å; C476-C561 WeakPolarHBondContact SG-CA 3.49Å; C476-C561 WeakPolarHBondContact SG-CB 3.46Å; C476-C561 CovalentContact SG-SG 2.04Å; C476-C561 PolarHBondContact SG-SG 3.48Å; K557-C561 WeakPolarHBondContact O-CB 3.35Å; K557-C561 PolarHBondContact O-N 3.49Å; T558-C561 PolarHBondContact O-N 3.04Å; C561-Q563 VanDerWaalsContact C-N 3.32Å; C561-Q563 PolarHBondContact O-N 2.84Å; C561-T564 WeakPolarHBondContact CA-OG1 3.35Å; C561-T564 PolarHBondContact O-OG1 3.29Å; C561-N565 WeakPolarHBondContact O-CB 3.31Å; C561-N565 PolarHBondContact O-N 3.17Å; C561-N565 VanDerWaalsContact O-N 3.11Å; C561-L584 HydrophobicContact CB-CD2 3.97Å |
| 562 | K | 64.1 | Low | 59.6 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 172.8 | -170.9 | 170.8 | -177.8 | 175.1 | 0 | 112.6 | T558 H559 Q560 N566 | T558-K562 WeakPolarHBondContact O-CB 3.42Å; T558-K562 PolarHBondContact O-N 3.14Å; H559-K562 PolarHBondContact O-N 2.82Å; Q560-K562 VanDerWaalsContact C-N 3.34Å; Q560-K562 PolarHBondContact O-N 3.13Å; K562-N566 WeakPolarHBondContact O-CB 3.4Å; K562-N566 PolarHBondContact O-N 3.49Å; K562-N566 PolarHBondContact O-OD1 2.84Å |
| 563 | Q | 62.3 | Low | 58.4 | Low | 126 Ų | 126 | 94.5 Ų | 94.5 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -77 | -40.9 | 177.4 | -74.6 | 177.3 | -4.2 | 0 | 0 | 113 | H559 Q560 C561 N566 N567 | H559-Q563 WeakPolarHBondContact O-CG 3.33Å; H559-Q563 PolarHBondContact O-N 3.19Å; Q560-Q563 PolarHBondContact O-N 3.45Å; Q560-Q563 VanDerWaalsContact O-N 3.11Å; C561-Q563 VanDerWaalsContact C-N 3.32Å; C561-Q563 PolarHBondContact O-N 2.84Å; Q563-N566 PolarHBondContact O-N 3.19Å; Q563-N567 PolarHBondContact O-N 3.08Å |
| 564 | T | 57.3 | Low | 57.2 | Low | 53 Ų | 53 | 93.3 Ų | 93.3 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | Q560 C561 N566 N567 | Q560-T564 PolarHBondContact O-N 2.67Å; Q560-T564 PolarHBondContact O-OG1 3.29Å; C561-T564 WeakPolarHBondContact CA-OG1 3.35Å; C561-T564 PolarHBondContact O-OG1 3.29Å; T564-N566 VanDerWaalsContact C-N 3.35Å; T564-N566 PolarHBondContact O-N 3.41Å; T564-N567 PolarHBondContact O-N 3.38Å; T564-N567 VanDerWaalsContact O-N 3.15Å |
| 565 | N | 50.1 | Low | 56 | Low | 46 Ų | 46 | 103.4 Ų | 103.4 | 25% | 0.246 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 177.4 | -152.7 | -7.5 | 0 | 0 | 0 | 112.1 | C561 N567 L568 V569 | C561-N565 WeakPolarHBondContact O-CB 3.31Å; C561-N565 PolarHBondContact O-N 3.17Å; C561-N565 VanDerWaalsContact O-N 3.11Å; N565-N567 PolarHBondContact O-N 3.05Å; N565-L568 PolarHBondContact O-N 2.79Å; N565-V569 VanDerWaalsContact O-CG2 3.3Å; N565-V569 WeakPolarHBondContact O-CG2 3.28Å |
| 566 | N | 50.4 | Low | 54.5 | Low | 104 Ų | 104 | 107.7 Ų | 107.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -26.1 | 172 | -87.8 | 12.5 | 0 | 0 | 0 | 113.8 | K562 Q563 T564 L568 | K562-N566 WeakPolarHBondContact O-CB 3.4Å; K562-N566 PolarHBondContact O-N 3.49Å; K562-N566 PolarHBondContact O-OD1 2.84Å; Q563-N566 PolarHBondContact O-N 3.19Å; T564-N566 VanDerWaalsContact C-N 3.35Å; T564-N566 PolarHBondContact O-N 3.41Å; N566-L568 VanDerWaalsContact C-N 3.3Å |
| 567 | N | 50.1 | Low | 53.2 | Low | 148 Ų | 148 | 102.1 Ų | 102.1 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.8 | 175.8 | -68.2 | -13 | 0 | 0 | 0 | 113.3 | Q563 T564 N565 | Q563-N567 PolarHBondContact O-N 3.08Å; T564-N567 PolarHBondContact O-N 3.38Å; T564-N567 VanDerWaalsContact O-N 3.15Å; N565-N567 PolarHBondContact O-N 3.05Å |
| 568 | L | 46.8 | Very low | 51.6 | Low | 130 Ų | 130 | 106.4 Ų | 106.4 | 68% | 0.681 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 3.3 | 179 | -82 | 157.2 | 0 | 0 | 0 | 113.4 | N565 N566 Y570 | N565-L568 PolarHBondContact O-N 2.79Å; N566-L568 VanDerWaalsContact C-N 3.3Å; L568-Y570 PolarHBondContact O-N 2.93Å |
| 569 | V | 42.8 | Very low | 50.2 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | trans | -78 | 48.6 | -175.2 | -162.5 | 0 | 0 | 0 | 0 | 112.4 | N565 | N565-V569 VanDerWaalsContact O-CG2 3.3Å; N565-V569 WeakPolarHBondContact O-CG2 3.28Å | ||
| 570 | Y | 41.1 | Very low | 49 | Very low | 211 Ų | 211 | 109.4 Ų | 109.4 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -151.5 | 58.3 | 177.2 | -131.7 | -74.8 | 0 | 0 | 0 | 112.1 | L568 | L568-Y570 PolarHBondContact O-N 2.93Š|
| 571 | N | 44.5 | Very low | 47.6 | Very low | 155 Ų | 155 | 108.6 Ų | 108.6 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 174.3 | -19.2 | 138.4 | -89.2 | -21.7 | 0 | 0 | 0 | 115.9 | ||
| 572 | D | 42.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | trans | -104.2 | 109.7 | -170.1 | -169.4 | -3.9 | 0 | 0 | 0 | 114 | S574 | D572-S574 VanDerWaalsContact C-N 3.26Å; D572-S574 PolarHBondContact O-N 3.4Å; D572-S574 VanDerWaalsContact OD1-CB 3.27Å; D572-S574 WeakPolarHBondContact OD1-CB 3.34Å; D572-S574 PolarHBondContact OD1-N 3.04Å | ||
| 573 | T | 45.8 | Very low | 45.3 | Very low | 140 Ų | 140 | 109.8 Ų | 109.8 | 86% | 0.859 | 55% | 0.551 | S | S | * | * | trans | -88.3 | 29.7 | 176.6 | 59 | 0 | 0 | 0 | 0 | 113.5 | W575 | T573-W575 PolarHBondContact O-N 2.82Š| ||
| 574 | S | 47.8 | Very low | 44.6 | Very low | 30 Ų | 30 | 106.3 Ų | 106.3 | 21% | 0.21 | 54% | 0.536 | C | S | . | . | trans | -63.4 | 119.7 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | D572 K576 N577 Q578 | D572-S574 VanDerWaalsContact C-N 3.26Å; D572-S574 PolarHBondContact O-N 3.4Å; D572-S574 VanDerWaalsContact OD1-CB 3.27Å; D572-S574 WeakPolarHBondContact OD1-CB 3.34Å; D572-S574 PolarHBondContact OD1-N 3.04Å; S574-K576 PolarHBondContact O-N 3.25Å; S574-K576 VanDerWaalsContact O-N 3.11Å; S574-K576 WeakPolarHBondContact OG-CB 3.46Å; S574-K576 PolarHBondContact OG-N 3.29Å; S574-N577 WeakPolarHBondContact O-CB 3.38Å; S574-N577 PolarHBondContact O-N 2.92Å; S574-Q578 PolarHBondContact O-N 3.44Å | ||
| 575 | W | 44.3 | Very low | 43.9 | Very low | 216 Ų | 216 | 108.5 Ų | 108.5 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -48.1 | -30 | 167.9 | 59.6 | -62.2 | 0 | 0 | 0 | 113.9 | T573 Q578 L579 | T573-W575 PolarHBondContact O-N 2.82Å; W575-Q578 PolarHBondContact O-N 3.06Å; W575-L579 PolarHBondContact O-N 3.45Å; W575-L579 VanDerWaalsContact O-N 3.11Å |
| 576 | K | 39.6 | Very low | 43.8 | Very low | 127 Ų | 127 | 109.8 Ų | 109.8 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64 | -43.1 | 174.8 | -166.9 | -179.9 | 179.5 | -171 | 0 | 111.9 | S574 Q578 L579 E580 | S574-K576 PolarHBondContact O-N 3.25Å; S574-K576 VanDerWaalsContact O-N 3.11Å; S574-K576 WeakPolarHBondContact OG-CB 3.46Å; S574-K576 PolarHBondContact OG-N 3.29Å; K576-Q578 VanDerWaalsContact C-N 3.31Å; K576-Q578 PolarHBondContact O-N 2.74Å; K576-L579 WeakPolarHBondContact O-CB 3.38Å; K576-L579 PolarHBondContact O-N 2.75Å; K576-L579 VanDerWaalsContact O-N 3.12Å; K576-E580 WeakPolarHBondContact CE-OE1 3.48Å; K576-E580 PolarHBondContact O-N 2.84Å |
| 577 | N | 45 | Very low | 43.9 | Very low | 52 Ų | 52 | 105.9 Ų | 105.9 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | -179.9 | -55.8 | -5 | 0 | 0 | 0 | 111 | S574 Q581 | S574-N577 WeakPolarHBondContact O-CB 3.38Å; S574-N577 PolarHBondContact O-N 2.92Å; N577-Q581 WeakPolarHBondContact O-CB 3.31Å; N577-Q581 WeakPolarHBondContact O-CG 3.12Å; N577-Q581 PolarHBondContact O-N 3.13Å |
| 578 | Q | 36.8 | Very low | 44.5 | Very low | 137 Ų | 137 | 99.8 Ų | 99.8 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 172.6 | -69.9 | -173.9 | -29.3 | 0 | 0 | 112.1 | S574 W575 K576 S582 | S574-Q578 PolarHBondContact O-N 3.44Å; W575-Q578 PolarHBondContact O-N 3.06Å; K576-Q578 VanDerWaalsContact C-N 3.31Å; K576-Q578 PolarHBondContact O-N 2.74Å; Q578-S582 WeakPolarHBondContact O-CB 3.42Å; Q578-S582 PolarHBondContact O-N 3.19Å |
| 579 | L | 39.1 | Very low | 45.3 | Very low | 105 Ų | 105 | 98.1 Ų | 98.1 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 177.1 | -150.7 | 78.4 | 0 | 0 | 0 | 110.7 | W575 K576 Q581 S582 Q583 | W575-L579 PolarHBondContact O-N 3.45Å; W575-L579 VanDerWaalsContact O-N 3.11Å; K576-L579 WeakPolarHBondContact O-CB 3.38Å; K576-L579 PolarHBondContact O-N 2.75Å; K576-L579 VanDerWaalsContact O-N 3.12Å; L579-Q581 PolarHBondContact O-N 2.85Å; L579-S582 PolarHBondContact O-N 3.03Å; L579-S582 PolarHBondContact O-OG 2.83Å; L579-Q583 VanDerWaalsContact O-CG 3.31Å; L579-Q583 WeakPolarHBondContact O-CG 3.36Å; L579-Q583 PolarHBondContact O-N 3.12Å |
| 580 | E | 45 | Very low | 46.4 | Very low | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177 | -70.4 | 172.6 | -167.6 | 0 | 0 | 112.2 | K576 S582 Q583 L584 | K576-E580 WeakPolarHBondContact CE-OE1 3.48Å; K576-E580 PolarHBondContact O-N 2.84Å; E580-S582 PolarHBondContact O-N 2.91Å; E580-Q583 PolarHBondContact O-N 2.83Å; E580-L584 PolarHBondContact O-N 3.04Å |
| 581 | Q | 39.2 | Very low | 47.6 | Very low | 72 Ų | 72 | 85.4 Ų | 85.4 | 34% | 0.336 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 172.7 | -79.7 | -176.1 | -6.6 | 0 | 0 | 112.4 | N577 L579 Q583 L584 I585 | N577-Q581 WeakPolarHBondContact O-CB 3.31Å; N577-Q581 WeakPolarHBondContact O-CG 3.12Å; N577-Q581 PolarHBondContact O-N 3.13Å; L579-Q581 PolarHBondContact O-N 2.85Å; Q581-Q583 VanDerWaalsContact C-N 3.31Å; Q581-Q583 PolarHBondContact O-N 3.15Å; Q581-L584 PolarHBondContact O-N 3.4Å; Q581-I585 WeakPolarHBondContact O-CD1 3.44Å; Q581-I585 VanDerWaalsContact O-CG1 3.28Å; Q581-I585 WeakPolarHBondContact O-CG1 3.43Å; Q581-I585 PolarHBondContact O-N 3.21Å; Q581-I585 VanDerWaalsContact O-N 3.14Å |
| 582 | S | 35 | Very low | 48.7 | Very low | 60 Ų | 60 | 81.5 Ų | 81.5 | 42% | 0.42 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 178.6 | 78.2 | 0 | 0 | 0 | 0 | 112.1 | Q578 L579 E580 V586 | Q578-S582 WeakPolarHBondContact O-CB 3.42Å; Q578-S582 PolarHBondContact O-N 3.19Å; L579-S582 PolarHBondContact O-N 3.03Å; L579-S582 PolarHBondContact O-OG 2.83Å; E580-S582 PolarHBondContact O-N 2.91Å; S582-V586 VanDerWaalsContact O-CG2 3.32Å; S582-V586 WeakPolarHBondContact O-CG2 3.35Å; S582-V586 PolarHBondContact O-N 3.33Å; S582-V586 VanDerWaalsContact O-N 3.14Å |
| 583 | Q | 46.2 | Very low | 50.1 | Low | 87 Ų | 87 | 82 Ų | 82 | 41% | 0.407 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 178.3 | -68.6 | 166.9 | 8.7 | 0 | 0 | 111.5 | L579 E580 Q581 I585 V586 A587 | L579-Q583 VanDerWaalsContact O-CG 3.31Å; L579-Q583 WeakPolarHBondContact O-CG 3.36Å; L579-Q583 PolarHBondContact O-N 3.12Å; E580-Q583 PolarHBondContact O-N 2.83Å; Q581-Q583 VanDerWaalsContact C-N 3.31Å; Q581-Q583 PolarHBondContact O-N 3.15Å; Q583-I585 VanDerWaalsContact C-N 3.32Å; Q583-I585 PolarHBondContact O-N 3.25Å; Q583-V586 PolarHBondContact O-N 2.86Å; Q583-A587 PolarHBondContact O-N 3.39Å |
| 584 | L | 46.7 | Very low | 51.3 | Low | 53 Ų | 53 | 75.8 Ų | 75.8 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 179.2 | -134.1 | 98.9 | 0 | 0 | 0 | 112.3 | T558 C561 E580 Q581 G588 | T558-L584 HydrophobicContact CG2-CD2 4.06Å; T558-L584 HydrophobicContact CG2-CG 4.4Å; C561-L584 HydrophobicContact CB-CD2 3.97Å; E580-L584 PolarHBondContact O-N 3.04Å; Q581-L584 PolarHBondContact O-N 3.4Å; L584-G588 PolarHBondContact O-N 3.42Å; L584-G588 VanDerWaalsContact O-N 3.16Å |
| 585 | I | 43.8 | Very low | 52.5 | Low | 100 Ų | 100 | 75.9 Ų | 75.9 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 178.1 | -68.3 | 166.7 | 0 | 0 | 0 | 111 | Q581 Q583 A587 G588 E589 | Q581-I585 WeakPolarHBondContact O-CD1 3.44Å; Q581-I585 VanDerWaalsContact O-CG1 3.28Å; Q581-I585 WeakPolarHBondContact O-CG1 3.43Å; Q581-I585 PolarHBondContact O-N 3.21Å; Q581-I585 VanDerWaalsContact O-N 3.14Å; Q583-I585 VanDerWaalsContact C-N 3.32Å; Q583-I585 PolarHBondContact O-N 3.25Å; I585-A587 VanDerWaalsContact C-N 3.35Å; I585-A587 PolarHBondContact O-N 3.27Å; I585-G588 PolarHBondContact O-N 3.44Å; I585-E589 PolarHBondContact O-N 2.75Å; I585-E589 VanDerWaalsContact O-N 3.16Å |
| 586 | V | 47 | Very low | 54 | Low | 72 Ų | 72 | 68.5 Ų | 68.5 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 179.3 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | K443 S582 Q583 D590 | K443-V586 VanDerWaalsContact NZ-CG1 3.32Å; S582-V586 VanDerWaalsContact O-CG2 3.32Å; S582-V586 WeakPolarHBondContact O-CG2 3.35Å; S582-V586 PolarHBondContact O-N 3.33Å; S582-V586 VanDerWaalsContact O-N 3.14Å; Q583-V586 PolarHBondContact O-N 2.86Å; V586-D590 PolarHBondContact O-N 2.9Å |
| 587 | A | 53.7 | Low | 55.7 | Low | 23 Ų | 23 | 64.1 Ų | 64.1 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -49.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q583 I585 E589 D590 I591 | Q583-A587 PolarHBondContact O-N 3.39Å; I585-A587 VanDerWaalsContact C-N 3.35Å; I585-A587 PolarHBondContact O-N 3.27Å; A587-E589 VanDerWaalsContact C-N 3.32Å; A587-E589 PolarHBondContact O-N 3.42Å; A587-D590 PolarHBondContact O-N 2.92Å; A587-I591 HydrophobicContact CB-CD1 4.41Å; A587-I591 WeakPolarHBondContact O-CB 3.45Å; A587-I591 VanDerWaalsContact O-CD1 3.23Å; A587-I591 WeakPolarHBondContact O-CD1 3.4Å; A587-I591 WeakPolarHBondContact O-CG1 3.32Å; A587-I591 PolarHBondContact O-N 2.96Å; A587-I591 VanDerWaalsContact O-N 3.09Å |
| 588 | G | 61.3 | Low | 57.2 | Low | 19 Ų | 19 | 61.9 Ų | 61.9 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -37.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | L584 I585 T592 | L584-G588 PolarHBondContact O-N 3.42Å; L584-G588 VanDerWaalsContact O-N 3.16Å; I585-G588 PolarHBondContact O-N 3.44Å; G588-T592 WeakPolarHBondContact O-CB 3.18Å; G588-T592 PolarHBondContact O-N 3.07Å; G588-T592 PolarHBondContact O-OG1 3.27Å |
| 589 | E | 64.8 | Low | 59.1 | Low | 95 Ų | 95 | 58.8 Ų | 58.8 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71 | -48.1 | 178.6 | -160.2 | -167.4 | -167.1 | 0 | 0 | 112.5 | I585 A587 I591 T592 R593 | I585-E589 PolarHBondContact O-N 2.75Å; I585-E589 VanDerWaalsContact O-N 3.16Å; A587-E589 VanDerWaalsContact C-N 3.32Å; A587-E589 PolarHBondContact O-N 3.42Å; E589-I591 PolarHBondContact O-N 3.32Å; E589-T592 PolarHBondContact O-N 3.34Å; E589-R593 VanDerWaalsContact O-CG 3.32Å; E589-R593 WeakPolarHBondContact O-CG 3.14Å; E589-R593 PolarHBondContact O-N 2.95Å; E589-R593 IonicContact OE1-CZ 3.43Å; E589-R593 VanDerWaalsContact OE1-CZ 3.29Å; E589-R593 IonicContact OE1-NE 2.64Å; E589-R593 IonicContact OE1-NH2 2.76Å; E589-R593 PolarHBondContact OE1-NH2 2.84Å; E589-R593 IonicContact OE2-CZ 2.83Å; E589-R593 IonicContact OE2-NH1 3.08Å; E589-R593 PolarHBondContact OE2-NH1 3.02Å; E589-R593 IonicContact OE2-NH2 3.24Å; E589-R593 PolarHBondContact OE2-NH2 2.96Å |
| 590 | D | 64.7 | Low | 61.2 | Low | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 179.5 | -82.7 | -14 | 0 | 0 | 0 | 112.1 | K443 V586 A587 R593 L594 | K443-D590 IonicContact NZ-OD2 3.69Å; K443-D590 PolarHBondContact NZ-OD2 2.67Å; V586-D590 PolarHBondContact O-N 2.9Å; A587-D590 PolarHBondContact O-N 2.92Å; D590-R593 IonicContact OD1-NH1 2.73Å; D590-R593 PolarHBondContact OD1-NH1 3.33Å; D590-L594 WeakPolarHBondContact O-CB 3.2Å; D590-L594 PolarHBondContact O-N 3.39Å |
| 591 | I | 66.2 | Low | 63 | Low | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.5 | -40.3 | 175.9 | -67.6 | 161.7 | 0 | 0 | 0 | 111.7 | L486 L554 A587 E589 R593 L594 Q595 | L486-I591 HydrophobicContact CD1-CD1 3.52Å; L486-I591 HydrophobicContact CD1-CG1 4.33Å; L554-I591 HydrophobicContact CD2-CD1 3.39Å; L554-I591 HydrophobicContact CD2-CG1 4.39Å; L554-I591 HydrophobicContact CD2-CG2 3.91Å; A587-I591 HydrophobicContact CB-CD1 4.41Å; A587-I591 WeakPolarHBondContact O-CB 3.45Å; A587-I591 VanDerWaalsContact O-CD1 3.23Å; A587-I591 WeakPolarHBondContact O-CD1 3.4Å; A587-I591 WeakPolarHBondContact O-CG1 3.32Å; A587-I591 PolarHBondContact O-N 2.96Å; A587-I591 VanDerWaalsContact O-N 3.09Å; E589-I591 PolarHBondContact O-N 3.32Å; I591-R593 VanDerWaalsContact C-N 3.32Å; I591-R593 PolarHBondContact O-N 2.88Å; I591-L594 WeakPolarHBondContact O-CB 3Å; I591-L594 PolarHBondContact O-N 2.72Å; I591-Q595 PolarHBondContact O-N 2.95Å |
| 592 | T | 69.1 | Low | 65 | Low | 73 Ų | 73 | 49.4 Ų | 49.4 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | G588 E589 A596 | G588-T592 WeakPolarHBondContact O-CB 3.18Å; G588-T592 PolarHBondContact O-N 3.07Å; G588-T592 PolarHBondContact O-OG1 3.27Å; E589-T592 PolarHBondContact O-N 3.34Å; T592-A596 PolarHBondContact O-N 3Å; T592-A596 VanDerWaalsContact O-N 3.13Å |
| 593 | R | 71.1 | Confident | 67.4 | Low | 125 Ų | 125 | 50.1 Ų | 50.1 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 169.6 | -71.7 | 167.7 | 175.5 | 157.3 | -0.5 | 111.6 | E589 D590 I591 A596 V597 | E589-R593 VanDerWaalsContact O-CG 3.32Å; E589-R593 WeakPolarHBondContact O-CG 3.14Å; E589-R593 PolarHBondContact O-N 2.95Å; E589-R593 IonicContact OE1-CZ 3.43Å; E589-R593 VanDerWaalsContact OE1-CZ 3.29Å; E589-R593 IonicContact OE1-NE 2.64Å; E589-R593 IonicContact OE1-NH2 2.76Å; E589-R593 PolarHBondContact OE1-NH2 2.84Å; E589-R593 IonicContact OE2-CZ 2.83Å; E589-R593 IonicContact OE2-NH1 3.08Å; E589-R593 PolarHBondContact OE2-NH1 3.02Å; E589-R593 IonicContact OE2-NH2 3.24Å; E589-R593 PolarHBondContact OE2-NH2 2.96Å; D590-R593 IonicContact OD1-NH1 2.73Å; D590-R593 PolarHBondContact OD1-NH1 3.33Å; I591-R593 VanDerWaalsContact C-N 3.32Å; I591-R593 PolarHBondContact O-N 2.88Å; R593-A596 PolarHBondContact O-N 3.35Å; R593-V597 WeakPolarHBondContact O-CG2 3.49Å; R593-V597 PolarHBondContact O-N 2.95Å; R593-V597 VanDerWaalsContact O-N 3.13Å |
| 594 | L | 71.1 | Confident | 69.4 | Low | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.7 | 176.9 | 66.9 | 0 | 0 | 0 | 111.9 | V433 F437 V489 D590 I591 A596 V597 L598 | V433-L594 HydrophobicContact CG1-CD1 4.39Å; F437-L594 HydrophobicContact CD1-CD2 4.38Å; F437-L594 HydrophobicContact CD2-CD1 4.44Å; F437-L594 HydrophobicContact CE1-CD1 3.97Å; F437-L594 HydrophobicContact CE1-CD2 3.38Å; F437-L594 HydrophobicContact CE1-CG 4.3Å; F437-L594 HydrophobicContact CE2-CD1 3.71Å; F437-L594 HydrophobicContact CZ-CD1 3.42Å; F437-L594 VanDerWaalsContact CZ-CD1 3.42Å; F437-L594 HydrophobicContact CZ-CD2 3.47Å; F437-L594 VanDerWaalsContact CZ-CD2 3.47Å; F437-L594 HydrophobicContact CZ-CG 3.99Å; V489-L594 HydrophobicContact CG1-CD2 3.68Å; D590-L594 WeakPolarHBondContact O-CB 3.2Å; D590-L594 PolarHBondContact O-N 3.39Å; I591-L594 WeakPolarHBondContact O-CB 3Å; I591-L594 PolarHBondContact O-N 2.72Å; L594-A596 VanDerWaalsContact C-N 3.35Å; L594-A596 PolarHBondContact O-N 3.39Å; L594-V597 PolarHBondContact O-N 2.84Å; L594-L598 HydrophobicContact CD1-CD1 4.23Å; L594-L598 HydrophobicContact CD1-CG 4.32Å; L594-L598 HydrophobicContact CG-CD1 4.05Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.28Å |
| 595 | Q | 73.4 | Confident | 71.5 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.4 | -50.6 | 173.7 | -177.6 | 168.9 | 33.5 | 0 | 0 | 111.6 | M551 I591 V597 L598 L599 | M551-Q595 HydrophobicContact CE-CB 4.24Å; M551-Q595 HydrophobicContact CE-CG 3.64Å; M551-Q595 HydrophobicContact CG-CB 4.37Å; M551-Q595 HydrophobicContact CG-CG 4.41Å; M551-Q595 HydrophobicContact SD-CB 3.35Å; M551-Q595 WeakPolarHBondContact SD-CB 3.45Å; M551-Q595 HydrophobicContact SD-CG 3.44Å; M551-Q595 WeakPolarHBondContact SD-CG 3.41Å; I591-Q595 PolarHBondContact O-N 2.95Å; Q595-V597 VanDerWaalsContact C-N 3.29Å; Q595-V597 PolarHBondContact O-N 2.89Å; Q595-L598 PolarHBondContact O-N 3.35Å; Q595-L599 HydrophobicContact CG-CD1 3.75Å; Q595-L599 HydrophobicContact CG-CG 4.29Å; Q595-L599 WeakPolarHBondContact O-CG 3.46Å; Q595-L599 PolarHBondContact O-N 3.33Å |
| 596 | A | 76.1 | Confident | 73.7 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 51% | 0.512 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T592 R593 L594 A600 | T592-A596 PolarHBondContact O-N 3Å; T592-A596 VanDerWaalsContact O-N 3.13Å; R593-A596 PolarHBondContact O-N 3.35Å; L594-A596 VanDerWaalsContact C-N 3.35Å; L594-A596 PolarHBondContact O-N 3.39Å; A596-A600 VanDerWaalsContact O-CB 3.26Å; A596-A600 WeakPolarHBondContact O-CB 3.25Å; A596-A600 PolarHBondContact O-N 3.31Å |
| 597 | V | 75.7 | Confident | 75.8 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | D429 V433 R593 L594 Q595 A600 T601 | D429-V597 HydrophobicContact CB-CG1 4.31Å; V433-V597 HydrophobicContact CG2-CB 4.22Å; V433-V597 HydrophobicContact CG2-CG1 3.41Å; V433-V597 VanDerWaalsContact CG2-CG1 3.41Å; R593-V597 WeakPolarHBondContact O-CG2 3.49Å; R593-V597 PolarHBondContact O-N 2.95Å; R593-V597 VanDerWaalsContact O-N 3.13Å; L594-V597 PolarHBondContact O-N 2.84Å; Q595-V597 VanDerWaalsContact C-N 3.29Å; Q595-V597 PolarHBondContact O-N 2.89Å; V597-A600 PolarHBondContact O-N 2.85Å; V597-T601 HydrophobicContact CG1-CG2 4.46Å; V597-T601 WeakPolarHBondContact O-CG2 3.14Å; V597-T601 PolarHBondContact O-N 2.84Å; V597-T601 PolarHBondContact O-OG1 3.34Å |
| 598 | L | 75.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 177 | -72.6 | 171.5 | 0 | 0 | 0 | 111.6 | V433 F496 L594 Q595 A600 T601 D602 | V433-L598 HydrophobicContact CG1-CD2 4.39Å; F496-L598 HydrophobicContact CD1-CD2 3.75Å; F496-L598 HydrophobicContact CE1-CD2 3.81Å; F496-L598 HydrophobicContact CG-CD2 4.22Å; F496-L598 HydrophobicContact CZ-CD2 4.31Å; L594-L598 HydrophobicContact CD1-CD1 4.23Å; L594-L598 HydrophobicContact CD1-CG 4.32Å; L594-L598 HydrophobicContact CG-CD1 4.05Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.28Å; Q595-L598 PolarHBondContact O-N 3.35Å; L598-A600 VanDerWaalsContact C-N 3.28Å; L598-A600 PolarHBondContact O-N 3.03Å; L598-T601 WeakPolarHBondContact CA-OG1 3.44Å; L598-T601 PolarHBondContact O-N 3.01Å; L598-T601 PolarHBondContact O-OG1 3.37Å; L598-D602 PolarHBondContact O-N 3.49Å |
| 599 | L | 77.4 | Confident | 79.2 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 38% | 0.382 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 176 | -67 | 174.7 | 0 | 0 | 0 | 112.5 | Q595 S603 | Q595-L599 HydrophobicContact CG-CD1 3.75Å; Q595-L599 HydrophobicContact CG-CG 4.29Å; Q595-L599 WeakPolarHBondContact O-CG 3.46Å; Q595-L599 PolarHBondContact O-N 3.33Å; L599-S603 VanDerWaalsContact O-CB 3.28Å; L599-S603 WeakPolarHBondContact O-CB 3.45Å; L599-S603 PolarHBondContact O-N 3.46Å |
| 600 | A | 81.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | A596 V597 L598 S603 Q604 | A596-A600 VanDerWaalsContact O-CB 3.26Å; A596-A600 WeakPolarHBondContact O-CB 3.25Å; A596-A600 PolarHBondContact O-N 3.31Å; V597-A600 PolarHBondContact O-N 2.85Å; L598-A600 VanDerWaalsContact C-N 3.28Å; L598-A600 PolarHBondContact O-N 3.03Å; A600-S603 PolarHBondContact O-N 3.5Å; A600-Q604 WeakPolarHBondContact O-CB 3.34Å; A600-Q604 VanDerWaalsContact O-CG 3.3Å; A600-Q604 WeakPolarHBondContact O-CG 3.48Å; A600-Q604 PolarHBondContact O-N 3.05Å |
| 601 | T | 83 | Confident | 82 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -40 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | L426 D429 F496 V597 L598 F605 | L426-T601 HydrophobicContact CD1-CG2 3.84Å; D429-T601 HydrophobicContact CB-CG2 3.68Å; F496-T601 WeakPolarHBondContact CE1-OG1 3.3Å; F496-T601 WeakPolarHBondContact CZ-OG1 3.21Å; V597-T601 HydrophobicContact CG1-CG2 4.46Å; V597-T601 WeakPolarHBondContact O-CG2 3.14Å; V597-T601 PolarHBondContact O-N 2.84Å; V597-T601 PolarHBondContact O-OG1 3.34Å; L598-T601 WeakPolarHBondContact CA-OG1 3.44Å; L598-T601 PolarHBondContact O-N 3.01Å; L598-T601 PolarHBondContact O-OG1 3.37Å; T601-F605 VanDerWaalsContact O-CB 3.31Å; T601-F605 WeakPolarHBondContact O-CB 3.49Å; T601-F605 PolarHBondContact O-N 3.15Å |
| 602 | D | 81.5 | Confident | 83.4 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 17% | 0.171 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 171.1 | -177.1 | 74.9 | 0 | 0 | 0 | 110.9 | L598 Q604 F605 K606 | L598-D602 PolarHBondContact O-N 3.49Å; D602-Q604 VanDerWaalsContact C-N 3.31Å; D602-Q604 PolarHBondContact O-N 2.8Å; D602-F605 CarbonylContact O-C 3.55Å; D602-F605 PolarHBondContact O-N 2.86Å; D602-K606 WeakPolarHBondContact O-CB 3.45Å; D602-K606 PolarHBondContact O-N 3.47Å |
| 603 | S | 85.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 53% | 0.531 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | L599 A600 Q607 | L599-S603 VanDerWaalsContact O-CB 3.28Å; L599-S603 WeakPolarHBondContact O-CB 3.45Å; L599-S603 PolarHBondContact O-N 3.46Å; A600-S603 PolarHBondContact O-N 3.5Å; S603-Q607 WeakPolarHBondContact O-CB 3.38Å; S603-Q607 PolarHBondContact O-N 2.96Å |
| 604 | Q | 88.3 | Confident | 85.8 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 173.8 | -73 | -178.1 | 36.9 | 0 | 0 | 112.3 | L422 L426 D429 A600 D602 Q607 L608 | L422-Q604 HydrophobicContact CD1-CB 3.93Å; L422-Q604 HydrophobicContact CD1-CG 3.76Å; L426-Q604 HydrophobicContact CD1-CB 4.43Å; L426-Q604 VanDerWaalsContact N-OE1 3.1Å; D429-Q604 PolarHBondContact OD2-NE2 2.84Å; D429-Q604 PolarHBondContact OD2-OE1 3.32Å; A600-Q604 WeakPolarHBondContact O-CB 3.34Å; A600-Q604 VanDerWaalsContact O-CG 3.3Å; A600-Q604 WeakPolarHBondContact O-CG 3.48Å; A600-Q604 PolarHBondContact O-N 3.05Å; D602-Q604 VanDerWaalsContact C-N 3.31Å; D602-Q604 PolarHBondContact O-N 2.8Å; Q604-Q607 PolarHBondContact O-N 3.2Å; Q604-L608 VanDerWaalsContact O-CB 3.26Å; Q604-L608 WeakPolarHBondContact O-CB 3.32Å; Q604-L608 PolarHBondContact O-N 2.89Å |
| 605 | F | 89.7 | Confident | 87 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.6 | 169.7 | -117.9 | 0 | 0 | 0 | 112.6 | L426 F500 L505 L533 L536 A537 T601 D602 L608 R609 | L426-F605 HydrophobicContact CD2-CB 4.2Å; F500-F605 HydrophobicContact CE1-CB 4.01Å; F500-F605 HydrophobicContact CE1-CD1 4.13Å; F500-F605 AromaticContact CE1-CD2 3.83Å; F500-F605 HydrophobicContact CE1-CD2 3.83Å; F500-F605 HydrophobicContact CE1-CE2 4.38Å; F500-F605 AromaticContact CE1-CG 3.7Å; F500-F605 HydrophobicContact CE1-CG 3.7Å; F500-F605 HydrophobicContact CZ-CB 3.95Å; F500-F605 AromaticContact CZ-CD1 3.8Å; F500-F605 HydrophobicContact CZ-CD1 3.8Å; F500-F605 HydrophobicContact CZ-CD2 4.33Å; F500-F605 HydrophobicContact CZ-CE1 4.41Å; F500-F605 AromaticContact CZ-CG 3.74Å; F500-F605 HydrophobicContact CZ-CG 3.74Å; L505-F605 HydrophobicContact CD1-CD2 4.01Å; L505-F605 HydrophobicContact CD1-CE2 3.91Å; L533-F605 HydrophobicContact CG-CE2 4.47Å; L536-F605 HydrophobicContact CB-CZ 4.23Å; L536-F605 HydrophobicContact CD2-CE1 4.47Å; L536-F605 HydrophobicContact CD2-CE2 3.81Å; L536-F605 HydrophobicContact CD2-CZ 3.72Å; L536-F605 HydrophobicContact CG-CE1 4.41Å; L536-F605 HydrophobicContact CG-CZ 3.94Å; A537-F605 HydrophobicContact CB-CE1 3.76Å; A537-F605 HydrophobicContact CB-CZ 4.09Å; T601-F605 VanDerWaalsContact O-CB 3.31Å; T601-F605 WeakPolarHBondContact O-CB 3.49Å; T601-F605 PolarHBondContact O-N 3.15Å; D602-F605 CarbonylContact O-C 3.55Å; D602-F605 PolarHBondContact O-N 2.86Å; F605-L608 HydrophobicContact CD2-CD2 4.28Å; F605-L608 WeakPolarHBondContact O-CB 3.34Å; F605-L608 PolarHBondContact O-N 3.33Å; F605-R609 HydrophobicContact CE2-CB 4.46Å; F605-R609 WeakPolarHBondContact O-CB 3.39Å; F605-R609 PolarHBondContact O-N 3.28Å |
| 606 | K | 90 | Very high | 87.9 | Confident | 117 Ų | 117 | 45.3 Ų | 45.3 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.1 | -173.7 | 174.4 | -175.8 | 170.6 | 0 | 111.3 | D602 T610 | D602-K606 WeakPolarHBondContact O-CB 3.45Å; D602-K606 PolarHBondContact O-N 3.47Å; K606-T610 WeakPolarHBondContact O-CB 3.4Å; K606-T610 PolarHBondContact O-N 3.13Å; K606-T610 PolarHBondContact O-OG1 3.32Å |
| 607 | Q | 92.3 | Very high | 88.8 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 170.1 | -176.7 | -179.6 | 7 | 0 | 0 | 111.2 | L422 S603 Q604 R609 T610 V611 | L422-Q607 HydrophobicContact CD2-CB 4.14Å; L422-Q607 HydrophobicContact CD2-CG 3.92Å; S603-Q607 WeakPolarHBondContact O-CB 3.38Å; S603-Q607 PolarHBondContact O-N 2.96Å; Q604-Q607 PolarHBondContact O-N 3.2Å; Q607-R609 PolarHBondContact O-N 2.77Å; Q607-T610 PolarHBondContact O-N 3.45Å; Q607-V611 WeakPolarHBondContact O-CG2 3.41Å; Q607-V611 PolarHBondContact O-N 3.23Å |
| 608 | L | 93.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.9 | -53.9 | 178.6 | -173.5 | 92 | 0 | 0 | 0 | 110.9 | L419 L422 L423 L505 Q604 F605 F612 | L419-L608 HydrophobicContact CD1-CD1 3.78Å; L419-L608 HydrophobicContact CD1-CG 4.35Å; L419-L608 HydrophobicContact CD2-CD1 4.38Å; L419-L608 HydrophobicContact CG-CD1 3.71Å; L422-L608 HydrophobicContact CB-CD1 4.45Å; L422-L608 HydrophobicContact CD2-CB 4.06Å; L422-L608 HydrophobicContact CD2-CD1 4.22Å; L422-L608 HydrophobicContact CG-CD1 4.34Å; L423-L608 HydrophobicContact CB-CD1 4Å; L423-L608 HydrophobicContact CD1-CD1 4.5Å; L423-L608 HydrophobicContact CD1-CD2 4.07Å; L505-L608 HydrophobicContact CD1-CD2 3.89Å; L505-L608 HydrophobicContact CD2-CD2 4.07Å; Q604-L608 VanDerWaalsContact O-CB 3.26Å; Q604-L608 WeakPolarHBondContact O-CB 3.32Å; Q604-L608 PolarHBondContact O-N 2.89Å; F605-L608 HydrophobicContact CD2-CD2 4.28Å; F605-L608 WeakPolarHBondContact O-CB 3.34Å; F605-L608 PolarHBondContact O-N 3.33Å; L608-F612 WeakPolarHBondContact O-CB 3.09Å; L608-F612 PolarHBondContact O-N 2.9Å |
| 609 | R | 93.7 | Very high | 90.5 | Very high | 65 Ų | 65 | 52 Ų | 52 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 178.4 | -178.7 | 171.3 | 65.6 | 117.5 | -8.4 | 112 | L533 D534 F605 Q607 V611 F612 S613 | L533-R609 HydrophobicContact CB-CG 4.21Å; L533-R609 HydrophobicContact CD2-CB 4.32Å; L533-R609 HydrophobicContact CD2-CG 4.39Å; D534-R609 WeakPolarHBondContact OD1-CD 3.44Å; D534-R609 IonicContact OD1-CZ 3.67Å; D534-R609 IonicContact OD1-NE 3.52Å; D534-R609 IonicContact OD1-NH1 3.62Å; D534-R609 PolarHBondContact OD1-NH1 3.13Å; F605-R609 HydrophobicContact CE2-CB 4.46Å; F605-R609 WeakPolarHBondContact O-CB 3.39Å; F605-R609 PolarHBondContact O-N 3.28Å; Q607-R609 PolarHBondContact O-N 2.77Å; R609-V611 PolarHBondContact O-N 2.82Å; R609-F612 PolarHBondContact O-N 3.32Å; R609-S613 WeakPolarHBondContact O-CB 3.43Å; R609-S613 PolarHBondContact O-N 3.36Å; R609-S613 PolarHBondContact O-OG 3.14Å; R609-S613 VanDerWaalsContact O-OG 3.1Å |
| 610 | T | 93.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | -178 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | K606 Q607 K614 | K606-T610 WeakPolarHBondContact O-CB 3.4Å; K606-T610 PolarHBondContact O-N 3.13Å; K606-T610 PolarHBondContact O-OG1 3.32Å; Q607-T610 PolarHBondContact O-N 3.45Å; T610-K614 WeakPolarHBondContact O-CB 3.34Å; T610-K614 PolarHBondContact O-N 2.86Å |
| 611 | V | 94.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.1 | -42.9 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L419 Q607 R609 L615 | L419-V611 HydrophobicContact CD1-CB 4.03Å; L419-V611 HydrophobicContact CD1-CG1 4.01Å; Q607-V611 WeakPolarHBondContact O-CG2 3.41Å; Q607-V611 PolarHBondContact O-N 3.23Å; R609-V611 PolarHBondContact O-N 2.82Å; V611-L615 WeakPolarHBondContact O-CB 3.12Å; V611-L615 PolarHBondContact O-N 3.16Å |
| 612 | F | 95.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 179.9 | -174.7 | -94.5 | 0 | 0 | 0 | 112.7 | L416 L419 L521 L524 F525 V529 V530 L533 L608 R609 K614 L615 V616 | L416-F612 HydrophobicContact CD2-CD2 4.17Å; L416-F612 HydrophobicContact CD2-CE2 4.39Å; L419-F612 HydrophobicContact CD2-CB 3.97Å; L419-F612 HydrophobicContact CD2-CD2 3.87Å; L419-F612 HydrophobicContact CD2-CG 4.43Å; L521-F612 HydrophobicContact CD2-CD2 4.18Å; L521-F612 HydrophobicContact CD2-CE2 4.17Å; L524-F612 HydrophobicContact CB-CE2 4.28Å; L524-F612 HydrophobicContact CB-CZ 3.97Å; F525-F612 HydrophobicContact CB-CE2 4.14Å; F525-F612 HydrophobicContact CB-CZ 4.34Å; V529-F612 HydrophobicContact CG2-CE1 3.75Å; V529-F612 HydrophobicContact CG2-CZ 3.86Å; V530-F612 HydrophobicContact CG2-CE1 4.46Å; L533-F612 HydrophobicContact CD2-CD1 3.96Å; L533-F612 HydrophobicContact CD2-CG 4.42Å; L608-F612 WeakPolarHBondContact O-CB 3.09Å; L608-F612 PolarHBondContact O-N 2.9Å; R609-F612 PolarHBondContact O-N 3.32Å; F612-K614 VanDerWaalsContact C-N 3.33Å; F612-K614 PolarHBondContact O-N 3.21Å; F612-L615 PolarHBondContact O-N 2.77Å; F612-L615 VanDerWaalsContact O-N 3.11Å; F612-V616 HydrophobicContact CD1-CG2 4.12Å; F612-V616 HydrophobicContact CE1-CG2 3.76Å; F612-V616 HydrophobicContact CZ-CG2 4Å; F612-V616 WeakPolarHBondContact O-CG2 3.43Å; F612-V616 PolarHBondContact O-N 2.83Å |
| 613 | S | 95 | Very high | 92.1 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | R609 L617 | R609-S613 WeakPolarHBondContact O-CB 3.43Å; R609-S613 PolarHBondContact O-N 3.36Å; R609-S613 PolarHBondContact O-OG 3.14Å; R609-S613 VanDerWaalsContact O-OG 3.1Å; S613-L617 VanDerWaalsContact O-CG 3.27Å; S613-L617 WeakPolarHBondContact O-CG 3.28Å; S613-L617 PolarHBondContact O-N 3.01Å; S613-L617 VanDerWaalsContact O-N 3.09Å |
| 614 | K | 95.4 | Very high | 92.1 | Very high | 129 Ų | 129 | 63 Ų | 63 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.9 | -49.6 | 169.6 | 176.8 | 173.5 | 173.2 | 177.1 | 0 | 111.1 | T610 F612 V616 L617 D618 | T610-K614 WeakPolarHBondContact O-CB 3.34Å; T610-K614 PolarHBondContact O-N 2.86Å; F612-K614 VanDerWaalsContact C-N 3.33Å; F612-K614 PolarHBondContact O-N 3.21Å; K614-V616 VanDerWaalsContact C-N 3.31Å; K614-V616 PolarHBondContact O-N 3.08Å; K614-L617 WeakPolarHBondContact O-CB 3.31Å; K614-L617 PolarHBondContact O-N 3.3Å; K614-L617 VanDerWaalsContact O-N 3.13Å; K614-D618 WeakPolarHBondContact CE-OD2 3.24Å; K614-D618 WeakPolarHBondContact CG-OD2 3.44Å; K614-D618 IonicContact NZ-OD2 3.29Å; K614-D618 WeakPolarHBondContact O-CB 3.4Å; K614-D618 VanDerWaalsContact O-CG 3.31Å; K614-D618 PolarHBondContact O-N 3.34Å |
| 615 | L | 94.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | -176.9 | -170.2 | 70.6 | 0 | 0 | 0 | 112.8 | A412 Q415 L416 F525 V611 F612 N619 | A412-L615 HydrophobicContact CB-CD1 3.85Å; A412-L615 HydrophobicContact CB-CD2 4.37Å; A412-L615 HydrophobicContact CB-CG 4.39Å; Q415-L615 HydrophobicContact CB-CD1 4.46Å; Q415-L615 VanDerWaalsContact OE1-CD1 3.26Å; L416-L615 HydrophobicContact CD1-CD2 4.25Å; L416-L615 HydrophobicContact CD2-CD2 3.55Å; L416-L615 HydrophobicContact CG-CD2 3.54Å; F525-L615 HydrophobicContact CD2-CD2 4.29Å; F525-L615 HydrophobicContact CD2-CG 4.47Å; F525-L615 HydrophobicContact CE2-CD2 4.24Å; F525-L615 HydrophobicContact CE2-CG 4.06Å; V611-L615 WeakPolarHBondContact O-CB 3.12Å; V611-L615 PolarHBondContact O-N 3.16Å; F612-L615 PolarHBondContact O-N 2.77Å; F612-L615 VanDerWaalsContact O-N 3.11Å; L615-N619 WeakPolarHBondContact CD1-ND2 3.37Å; L615-N619 WeakPolarHBondContact O-CB 3.38Å; L615-N619 PolarHBondContact O-N 2.86Å; L615-N619 VanDerWaalsContact O-N 3.09Å; L615-N619 PolarHBondContact O-ND2 3.2Å |
| 616 | V | 93.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 175.5 | 167.3 | 0 | 0 | 0 | 0 | 111.6 | F525 N528 V530 F612 K614 R620 I623 | F525-V616 HydrophobicContact CD2-CG2 3.8Å; F525-V616 HydrophobicContact CE2-CG2 4.37Å; N528-V616 WeakPolarHBondContact OD1-CG1 3.44Å; V530-V616 HydrophobicContact CG2-CB 3.94Å; V530-V616 HydrophobicContact CG2-CG1 3.73Å; V530-V616 HydrophobicContact CG2-CG2 4.23Å; F612-V616 HydrophobicContact CD1-CG2 4.12Å; F612-V616 HydrophobicContact CE1-CG2 3.76Å; F612-V616 HydrophobicContact CZ-CG2 4Å; F612-V616 WeakPolarHBondContact O-CG2 3.43Å; F612-V616 PolarHBondContact O-N 2.83Å; K614-V616 VanDerWaalsContact C-N 3.31Å; K614-V616 PolarHBondContact O-N 3.08Å; V616-R620 WeakPolarHBondContact O-CA 3.26Å; V616-R620 PolarHBondContact O-N 3.08Å; V616-I623 HydrophobicContact CB-CD1 4.24Å; V616-I623 HydrophobicContact CG1-CD1 3.82Å; V616-I623 HydrophobicContact CG2-CD1 4.25Å |
| 617 | L | 93.6 | Very high | 89.5 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 64% | 0.639 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67 | -49 | 174.1 | -70.2 | 166.8 | 0 | 0 | 0 | 111.6 | S613 K614 N619 R620 | S613-L617 VanDerWaalsContact O-CG 3.27Å; S613-L617 WeakPolarHBondContact O-CG 3.28Å; S613-L617 PolarHBondContact O-N 3.01Å; S613-L617 VanDerWaalsContact O-N 3.09Å; K614-L617 WeakPolarHBondContact O-CB 3.31Å; K614-L617 PolarHBondContact O-N 3.3Å; K614-L617 VanDerWaalsContact O-N 3.13Å; L617-N619 PolarHBondContact O-N 3.1Å; L617-N619 VanDerWaalsContact O-N 3.15Å; L617-R620 WeakPolarHBondContact O-CB 3.22Å; L617-R620 PolarHBondContact O-N 2.96Å |
| 618 | D | 94.7 | Very high | 88.1 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -21.6 | 179.7 | -70.1 | -4.2 | 0 | 0 | 0 | 112.9 | K614 | K614-D618 WeakPolarHBondContact CE-OD2 3.24Å; K614-D618 WeakPolarHBondContact CG-OD2 3.44Å; K614-D618 IonicContact NZ-OD2 3.29Å; K614-D618 WeakPolarHBondContact O-CB 3.4Å; K614-D618 VanDerWaalsContact O-CG 3.31Å; K614-D618 PolarHBondContact O-N 3.34Å |
| 619 | N | 93.6 | Very high | 85.9 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 22 | -179.3 | -67.2 | -96 | 0 | 0 | 0 | 113.3 | N409 F525 L615 L617 E621 L622 I623 | N409-N619 PolarHBondContact ND2-OD1 3Å; F525-N619 HydrophobicContact CE2-CB 3.91Å; F525-N619 HydrophobicContact CZ-CB 3.57Å; L615-N619 WeakPolarHBondContact CD1-ND2 3.37Å; L615-N619 WeakPolarHBondContact O-CB 3.38Å; L615-N619 PolarHBondContact O-N 2.86Å; L615-N619 VanDerWaalsContact O-N 3.09Å; L615-N619 PolarHBondContact O-ND2 3.2Å; L617-N619 PolarHBondContact O-N 3.1Å; L617-N619 VanDerWaalsContact O-N 3.15Å; N619-E621 VanDerWaalsContact C-N 3.32Å; N619-E621 PolarHBondContact O-N 3.02Å; N619-L622 WeakPolarHBondContact O-CB 3.41Å; N619-L622 PolarHBondContact O-N 2.73Å; N619-L622 VanDerWaalsContact O-N 3.1Å; N619-I623 PolarHBondContact O-N 3.33Å; N619-I623 VanDerWaalsContact O-N 3.17Å |
| 620 | R | 91.4 | Very high | 83.5 | Confident | 153 Ų | 153 | 77.3 Ų | 77.3 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54 | -44.2 | -173.3 | -180 | 176.4 | 172.4 | 178 | -3.9 | 113.5 | V616 L617 L622 I623 E624 | V616-R620 WeakPolarHBondContact O-CA 3.26Å; V616-R620 PolarHBondContact O-N 3.08Å; L617-R620 WeakPolarHBondContact O-CB 3.22Å; L617-R620 PolarHBondContact O-N 2.96Å; R620-L622 VanDerWaalsContact C-N 3.35Å; R620-L622 PolarHBondContact O-N 3.25Å; R620-I623 PolarHBondContact O-N 2.79Å; R620-E624 HydrophobicContact CG-CG 4.45Å; R620-E624 IonicContact CZ-OE1 3.72Å; R620-E624 IonicContact NE-OE1 2.67Å; R620-E624 PolarHBondContact NE-OE1 2.84Å; R620-E624 IonicContact NH2-OE1 2.71Å; R620-E624 PolarHBondContact NH2-OE1 3.19Å; R620-E624 PolarHBondContact O-N 3.03Å |
| 621 | E | 88.9 | Confident | 81 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 179.7 | -60.1 | -166.7 | 163.4 | 0 | 0 | 111.9 | N619 I623 E624 T625 N941 | N619-E621 VanDerWaalsContact C-N 3.32Å; N619-E621 PolarHBondContact O-N 3.02Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.94Å; E621-E624 PolarHBondContact O-N 2.86Å; E621-T625 WeakPolarHBondContact O-CG2 3.39Å; E621-T625 PolarHBondContact O-N 3.5Å; E621-N941 PolarHBondContact OE1-ND2 3.48Å; E621-N941 PolarHBondContact OE2-ND2 3.06Å |
| 622 | L | 89.9 | Confident | 78.7 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 176.5 | 179.2 | 60.3 | 0 | 0 | 0 | 111 | F404 L405 A408 N409 F526 N619 R620 T625 | F404-L622 HydrophobicContact CE1-CD1 3.82Å; F404-L622 HydrophobicContact CZ-CD1 4.08Å; L405-L622 HydrophobicContact CD1-CD2 3.65Å; A408-L622 HydrophobicContact CB-CD1 3.74Å; A408-L622 HydrophobicContact CB-CD2 4.01Å; N409-L622 HydrophobicContact CB-CD2 4.3Å; F526-L622 HydrophobicContact CE1-CG 4.49Å; N619-L622 WeakPolarHBondContact O-CB 3.41Å; N619-L622 PolarHBondContact O-N 2.73Å; N619-L622 VanDerWaalsContact O-N 3.1Å; R620-L622 VanDerWaalsContact C-N 3.35Å; R620-L622 PolarHBondContact O-N 3.25Å; L622-T625 PolarHBondContact O-N 3.09Å; L622-T625 PolarHBondContact O-OG1 3.11Å |
| 623 | I | 87.5 | Confident | 76.4 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.6 | -63 | 167.1 | 0 | 0 | 0 | 111.2 | F525 F526 N528 V616 N619 R620 E621 T625 V626 | F525-I623 HydrophobicContact CD1-CD1 4.35Å; F525-I623 HydrophobicContact CD1-CG1 4.19Å; F525-I623 HydrophobicContact CD2-CD1 4.15Å; F525-I623 HydrophobicContact CE1-CD1 4.06Å; F525-I623 HydrophobicContact CE1-CG1 3.7Å; F525-I623 HydrophobicContact CE2-CD1 3.85Å; F525-I623 HydrophobicContact CE2-CG1 4.36Å; F525-I623 HydrophobicContact CG-CD1 4.4Å; F525-I623 HydrophobicContact CZ-CD1 3.82Å; F525-I623 HydrophobicContact CZ-CG1 3.81Å; F526-I623 HydrophobicContact CD1-CG1 4.34Å; N528-I623 HydrophobicContact CB-CG2 4.35Å; V616-I623 HydrophobicContact CB-CD1 4.24Å; V616-I623 HydrophobicContact CG1-CD1 3.82Å; V616-I623 HydrophobicContact CG2-CD1 4.25Å; N619-I623 PolarHBondContact O-N 3.33Å; N619-I623 VanDerWaalsContact O-N 3.17Å; R620-I623 PolarHBondContact O-N 2.79Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.94Å; I623-T625 VanDerWaalsContact C-N 3.33Å; I623-T625 PolarHBondContact O-N 2.92Å; I623-V626 PolarHBondContact O-N 3.4Å |
| 624 | E | 84.3 | Confident | 73.7 | Confident | 126 Ų | 126 | 83 Ų | 83 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69 | -27.2 | 178.1 | -72.2 | -176.8 | -177.8 | 0 | 0 | 113.1 | R620 E621 V626 | R620-E624 HydrophobicContact CG-CG 4.45Å; R620-E624 IonicContact CZ-OE1 3.72Å; R620-E624 IonicContact NE-OE1 2.67Å; R620-E624 PolarHBondContact NE-OE1 2.84Å; R620-E624 IonicContact NH2-OE1 2.71Å; R620-E624 PolarHBondContact NH2-OE1 3.19Å; R620-E624 PolarHBondContact O-N 3.03Å; E621-E624 PolarHBondContact O-N 2.86Å; E624-V626 PolarHBondContact O-N 3.1Å |
| 625 | T | 80.2 | Confident | 71.1 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.1 | -20 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | E621 L622 I623 P627 | E621-T625 WeakPolarHBondContact O-CG2 3.39Å; E621-T625 PolarHBondContact O-N 3.5Å; L622-T625 PolarHBondContact O-N 3.09Å; L622-T625 PolarHBondContact O-OG1 3.11Å; I623-T625 VanDerWaalsContact C-N 3.33Å; I623-T625 PolarHBondContact O-N 2.92Å; T625-P627 WeakPolarHBondContact O-CD 3.23Å |
| 626 | V | 73.1 | Confident | 68.5 | Low | 33 Ų | 33 | 86.5 Ų | 86.5 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -103 | 109.3 | -175.8 | -168 | 0 | 0 | 0 | 0 | 111 | F404 F526 I623 E624 I628 | F404-V626 HydrophobicContact CD1-CG2 4.13Å; F404-V626 HydrophobicContact CE1-CG2 3.33Å; F404-V626 HydrophobicContact CZ-CG2 3.72Å; F526-V626 HydrophobicContact CD1-CB 4.25Å; F526-V626 HydrophobicContact CD1-CG2 4.31Å; F526-V626 HydrophobicContact CE1-CB 4.28Å; F526-V626 HydrophobicContact CE1-CG2 3.83Å; I623-V626 PolarHBondContact O-N 3.4Å; E624-V626 PolarHBondContact O-N 3.1Å; V626-I628 HydrophobicContact CB-CD1 4.37Å; V626-I628 HydrophobicContact CG1-CD1 3.55Å; V626-I628 HydrophobicContact CG1-CG1 3.84Å; V626-I628 PolarHBondContact O-N 3.16Å |
| 627 | P | 60.9 | Low | 66.1 | Low | 100 Ų | 100 | 86.6 Ų | 86.6 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | trans | -78.2 | 42.9 | -170.2 | 32.6 | -37.8 | 0 | 0 | 0 | 115.1 | T625 K629 | T625-P627 WeakPolarHBondContact O-CD 3.23Å; P627-K629 VanDerWaalsContact C-N 3.29Å; P627-K629 PolarHBondContact O-N 3.02Å | ||
| 628 | I | 62.1 | Low | 63.8 | Low | 30 Ų | 30 | 85.9 Ų | 85.9 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.5 | -34.9 | -177.9 | -83 | 157.9 | 0 | 0 | 0 | 112.8 | T401 F526 L527 V626 R630 | T401-I628 HydrophobicContact CG2-CD1 3.81Å; F526-I628 HydrophobicContact CB-CD1 3.5Å; F526-I628 VanDerWaalsContact CB-CD1 3.5Å; F526-I628 HydrophobicContact CD1-CD1 4.19Å; F526-I628 HydrophobicContact CD2-CD1 4.11Å; F526-I628 HydrophobicContact CG-CD1 3.69Å; L527-I628 HydrophobicContact CD2-CG2 4.17Å; V626-I628 HydrophobicContact CB-CD1 4.37Å; V626-I628 HydrophobicContact CG1-CD1 3.55Å; V626-I628 HydrophobicContact CG1-CG1 3.84Å; V626-I628 PolarHBondContact O-N 3.16Å; I628-R630 PolarHBondContact O-N 2.76Å |
| 629 | K | 47.7 | Very low | 61.5 | Low | 134 Ų | 134 | 83.9 Ų | 83.9 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.8 | -0.5 | -172.2 | -79.9 | -169.2 | 175 | -177.2 | 0 | 116.8 | L527 P627 | L527-K629 WeakPolarHBondContact O-CE 3.42Å; L527-K629 PolarHBondContact O-NZ 3Å; P627-K629 VanDerWaalsContact C-N 3.29Å; P627-K629 PolarHBondContact O-N 3.02Å |
| 630 | R | 43.6 | Very low | 59.5 | Low | 242 Ų | 242 | 86.2 Ų | 86.2 | 91% | 0.913 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -140.9 | -1.6 | 175.5 | -65.9 | -169.1 | -179.7 | 105.6 | 4 | 116.7 | I628 | I628-R630 PolarHBondContact O-N 2.76Å |
| 631 | A | 40.6 | Very low | 57.9 | Low | 21 Ų | 21 | 81.3 Ų | 81.3 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -93.6 | -46.1 | -157.2 | 0 | 0 | 0 | 0 | 0 | 117 | T635 L1010 | A631-T635 WeakPolarHBondContact O-CG2 3.21Å; A631-L1010 HydrophobicContact CB-CD1 3.54Å |
| 632 | S | 46.5 | Very low | 57.3 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -144 | -8.4 | -147.6 | 50.9 | 0 | 0 | 0 | 0 | 117.6 | T635 | S632-T635 PolarHBondContact O-OG1 3.09Š|
| 633 | L | 46.7 | Very low | 57.3 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 40% | 0.398 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -89.9 | -24.2 | -174.2 | -77.2 | 164.9 | 0 | 0 | 0 | 114.9 | ||
| 634 | N | 39 | Very low | 57.5 | Low | 168 Ų | 168 | 78.6 Ų | 78.6 | 90% | 0.898 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -119.3 | 1.3 | -179.8 | -78.3 | -25.5 | 0 | 0 | 0 | 113.7 | ||
| 635 | T | 39.2 | Very low | 57.9 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -67.1 | 133.7 | 176.5 | 39.2 | 0 | 0 | 0 | 0 | 111.1 | A631 S632 | A631-T635 WeakPolarHBondContact O-CG2 3.21Å; S632-T635 PolarHBondContact O-OG1 3.09Å |
| 636 | K | 40.7 | Very low | 58.5 | Low | 151 Ų | 151 | 69.8 Ų | 69.8 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | trans | -55.5 | 137.8 | 170.7 | -76.1 | -171.8 | 175.6 | -174.6 | 0 | 109.6 | D638 S639 | K636-D638 PolarHBondContact O-N 3.43Å; K636-D638 VanDerWaalsContact O-N 3.1Å; K636-S639 PolarHBondContact O-N 2.89Å; K636-S639 PolarHBondContact O-OG 3.23Å | ||
| 637 | P | 43.8 | Very low | 59.5 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -55.8 | -35 | -176.1 | 22.5 | -32.6 | 0 | 0 | 0 | 111.6 | L386 I393 S639 L640 I641 | L386-P637 HydrophobicContact CD1-CG 4.01Å; I393-P637 HydrophobicContact CD1-CB 4.37Å; P637-S639 PolarHBondContact O-N 3.36Å; P637-L640 WeakPolarHBondContact O-CA 3.23Å; P637-L640 PolarHBondContact O-N 2.94Å; P637-I641 HydrophobicContact CB-CD1 4.4Å; P637-I641 WeakPolarHBondContact O-CG1 3.32Å; P637-I641 PolarHBondContact O-N 3.48Å |
| 638 | D | 46 | Very low | 61.1 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -44.1 | -27 | 172.7 | -31.7 | -28 | 0 | 0 | 0 | 115 | K636 | K636-D638 PolarHBondContact O-N 3.43Å; K636-D638 VanDerWaalsContact O-N 3.1Å |
| 639 | S | 46.4 | Very low | 62.4 | Low | 59 Ų | 59 | 64.9 Ų | 64.9 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -86.5 | -21.2 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | K636 P637 | K636-S639 PolarHBondContact O-N 2.89Å; K636-S639 PolarHBondContact O-OG 3.23Å; P637-S639 PolarHBondContact O-N 3.36Å |
| 640 | L | 51.3 | Low | 64.1 | Low | 67 Ų | 67 | 59 Ų | 59 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -26.7 | 176.3 | -67.3 | 166.3 | 0 | 0 | 0 | 111.7 | I393 P637 R642 | I393-L640 HydrophobicContact CG2-CD1 3.86Å; P637-L640 WeakPolarHBondContact O-CA 3.23Å; P637-L640 PolarHBondContact O-N 2.94Å; L640-R642 PolarHBondContact O-N 2.92Å |
| 641 | I | 58.3 | Low | 65.7 | Low | 51 Ų | 51 | 49.2 Ų | 49.2 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | trans | -73.6 | 74.7 | 176.2 | -51 | 165.3 | 0 | 0 | 0 | 110.4 | Y389 P637 L643 | Y389-I641 HydrophobicContact CD1-CD1 4.39Å; Y389-I641 HydrophobicContact CE1-CD1 3.6Å; Y389-I641 HydrophobicContact CE1-CG1 3.66Å; P637-I641 HydrophobicContact CB-CD1 4.4Å; P637-I641 WeakPolarHBondContact O-CG1 3.32Å; P637-I641 PolarHBondContact O-N 3.48Å; I641-L643 HydrophobicContact CG2-CD2 3.75Å; I641-L643 HydrophobicContact CG2-CG 4.04Å; I641-L643 PolarHBondContact O-N 3.14Å | ||
| 642 | R | 76.3 | Confident | 67 | Low | 79 Ų | 79 | 52.4 Ų | 52.4 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | trans | -89.7 | 85.8 | 176.8 | -60.5 | 176 | 170.2 | -136.6 | 9.4 | 109.6 | P215 T216 L640 L1009 | P215-R642 HydrophobicContact CB-CB 3.7Å; P215-R642 WeakPolarHBondContact CB-O 3.33Å; T216-R642 HydrophobicContact CG2-CB 3.77Å; T216-R642 HydrophobicContact CG2-CG 3.73Å; L640-R642 PolarHBondContact O-N 2.92Å; R642-L1009 VanDerWaalsContact NH1-CD2 3.27Å | ||
| 643 | L | 88.3 | Confident | 67.7 | Low | 33 Ų | 33 | 54.9 Ų | 54.9 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | trans | -61.2 | 150.6 | 177.6 | -58.3 | 177.1 | 0 | 0 | 0 | 111.6 | R134 V174 L175 D176 T216 F320 I641 | R134-L643 HydrophobicContact CG-CD2 4.01Å; V174-L643 HydrophobicContact CG1-CB 4.18Å; V174-L643 HydrophobicContact CG1-CD1 3.82Å; V174-L643 HydrophobicContact CG1-CG 4.47Å; L175-L643 WeakPolarHBondContact O-CA 3.07Å; D176-L643 HydrophobicContact CB-CD2 3.85Å; T216-L643 PolarHBondContact N-O 3.05Å; T216-L643 VanDerWaalsContact N-O 3.13Å; F320-L643 HydrophobicContact CE1-CD1 4.23Å; F320-L643 HydrophobicContact CZ-CD1 4.43Å; I641-L643 HydrophobicContact CG2-CD2 3.75Å; I641-L643 HydrophobicContact CG2-CG 4.04Å; I641-L643 PolarHBondContact O-N 3.14Å | ||
| 644 | V | 91.8 | Very high | 68 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.8 | 167.3 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | L175 P177 F192 A213 P215 V646 | L175-V644 HydrophobicContact CB-CB 4.42Å; L175-V644 PolarHBondContact N-O 2.04Å; L175-V644 PolarHBondContact O-N 2.04Å; P177-V644 HydrophobicContact CG-CG2 4.32Å; F192-V644 HydrophobicContact CD2-CB 4.09Å; F192-V644 HydrophobicContact CD2-CG1 4.24Å; F192-V644 HydrophobicContact CD2-CG2 3.87Å; F192-V644 HydrophobicContact CE2-CB 4.19Å; F192-V644 HydrophobicContact CE2-CG2 3.91Å; A213-V644 HydrophobicContact CB-CG1 3.74Å; P215-V644 HydrophobicContact CB-CG2 4.36Å; V644-V646 HydrophobicContact CG1-CG2 3.93Å |
| 645 | S | 92.9 | Very high | 68.7 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.2 | 174 | -168.6 | 0 | 0 | 0 | 0 | 110 | F217 H218 T219 | F217-S645 PolarHBondContact O-N 3.34Å; H218-S645 CarbonylContact C-O 3.49Å; H218-S645 WeakPolarHBondContact CA-O 3.5Å; H218-S645 PolarHBondContact CD2-OG 2.73Å; T219-S645 PolarHBondContact N-O 3.18Å |
| 646 | V | 94.2 | Very high | 69.2 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133 | -175.7 | -165.7 | 0 | 0 | 0 | 0 | 109.5 | L173 I194 A213 T219 L221 V644 I648 | L173-V646 HydrophobicContact CB-CB 4.39Å; L173-V646 PolarHBondContact N-O 3.43Å; L173-V646 PolarHBondContact O-N 3.32Å; I194-V646 HydrophobicContact CD1-CB 4.32Å; I194-V646 HydrophobicContact CD1-CG1 3.75Å; I194-V646 HydrophobicContact CD1-CG2 3.75Å; A213-V646 HydrophobicContact CB-CG2 4.01Å; T219-V646 VanDerWaalsContact O-CA 3.3Å; T219-V646 WeakPolarHBondContact O-CA 3.35Å; T219-V646 WeakPolarHBondContact O-CG1 3.34Å; L221-V646 HydrophobicContact CD1-CG1 4.43Å; L221-V646 HydrophobicContact CG-CG1 4.4Å; V644-V646 HydrophobicContact CG1-CG2 3.93Å; V646-I648 HydrophobicContact CG1-CD1 4.31Å; V646-I648 HydrophobicContact CG1-CG1 3.93Å |
| 647 | T | 94.3 | Very high | 69.6 | Low | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.4 | 171.4 | -65.7 | 0 | 0 | 0 | 0 | 108.8 | E170 I171 Q172 H218 T219 M220 L221 Q649 | E170-T647 VanDerWaalsContact CD-CG2 3.43Å; E170-T647 HydrophobicContact CG-CG2 3.6Å; E170-T647 WeakPolarHBondContact OE1-CG2 3.46Å; I171-T647 CarbonylContact O-C 3.53Å; I171-T647 WeakPolarHBondContact O-CA 3.36Å; Q172-T647 HydrophobicContact CG-CG2 4.4Å; H218-T647 PolarHBondContact CE1-OG1 3.48Å; H218-T647 PolarHBondContact NE2-OG1 2.66Å; T219-T647 PolarHBondContact O-N 3.12Å; M220-T647 CarbonylContact C-O 3.56Å; M220-T647 VanDerWaalsContact CA-O 3.32Å; M220-T647 WeakPolarHBondContact CA-O 3.49Å; L221-T647 PolarHBondContact N-O 3.21Å; T647-Q649 HydrophobicContact CG2-CG 4.17Å |
| 648 | I | 93.2 | Very high | 69.7 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.6 | -175.7 | -55.8 | 172.4 | 0 | 0 | 0 | 107.7 | F63 I66 E170 I171 L173 I194 L196 L221 V646 | F63-I648 HydrophobicContact CZ-CG2 4.05Å; I66-I648 HydrophobicContact CD1-CD1 3.63Å; I66-I648 HydrophobicContact CG1-CD1 3.91Å; I66-I648 HydrophobicContact CG2-CD1 3.8Å; E170-I648 CarbonylContact C-O 3.48Å; E170-I648 WeakPolarHBondContact CA-O 3.46Å; I171-I648 PolarHBondContact N-O 3.27Å; I171-I648 PolarHBondContact O-N 2.86Å; L173-I648 HydrophobicContact CD1-CD1 4.27Å; I194-I648 HydrophobicContact CG2-CD1 4.33Å; L196-I648 HydrophobicContact CD1-CG2 4.11Å; L196-I648 HydrophobicContact CD2-CD1 4.33Å; L196-I648 HydrophobicContact CD2-CG2 4.2Å; L221-I648 HydrophobicContact CB-CG1 4.3Å; L221-I648 HydrophobicContact CD1-CG1 4.22Å; L221-I648 HydrophobicContact CG-CG1 4.46Å; L221-I648 CarbonylContact O-C 3.37Å; L221-I648 WeakPolarHBondContact O-CA 3.5Å; V646-I648 HydrophobicContact CG1-CD1 4.31Å; V646-I648 HydrophobicContact CG1-CG1 3.93Å |
| 649 | Q | 89.6 | Confident | 69.6 | Low | 50 Ų | 50 | 62.7 Ų | 62.7 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.3 | -177.7 | -73.9 | 175.9 | -22.4 | 0 | 0 | 110.8 | D169 E170 L221 R222 A223 T647 | D169-Q649 CarbonylContact O-C 3.6Å; D169-Q649 VanDerWaalsContact O-CA 3.29Å; D169-Q649 WeakPolarHBondContact O-CA 3.16Å; E170-Q649 HydrophobicContact CB-CG 4.17Å; E170-Q649 HydrophobicContact CG-CG 3.87Å; E170-Q649 PolarHBondContact OE2-NE2 3.16Å; L221-Q649 PolarHBondContact O-N 2.96Å; R222-Q649 CarbonylContact C-O 3.53Å; R222-Q649 WeakPolarHBondContact CA-O 3.47Å; A223-Q649 PolarHBondContact N-O 3.31Å; T647-Q649 HydrophobicContact CG2-CG 4.17Å |
| 650 | L | 83.8 | Confident | 69.7 | Low | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.1 | 173 | -179.2 | 70 | 0 | 0 | 0 | 109.8 | F63 D169 A223 Y298 R652 | F63-L650 HydrophobicContact CB-CD2 4.25Å; F63-L650 HydrophobicContact CD2-CB 3.63Å; F63-L650 HydrophobicContact CD2-CD2 3.92Å; F63-L650 HydrophobicContact CD2-CG 4.36Å; F63-L650 HydrophobicContact CE2-CB 3.68Å; F63-L650 HydrophobicContact CG-CD2 4.43Å; D169-L650 PolarHBondContact O-N 3.33Å; A223-L650 HydrophobicContact CB-CD1 4.32Å; Y298-L650 HydrophobicContact CE1-CD1 4.49Å; L650-R652 HydrophobicContact CD2-CG 4.21Å; L650-R652 HydrophobicContact CG-CG 4.22Å; L650-R652 PolarHBondContact O-N 3.01Å |
| 651 | T | 77.8 | Confident | 69.5 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | trans | -87 | 110 | 179.4 | -56 | 0 | 0 | 0 | 0 | 110 | A223 D653 | A223-T651 PolarHBondContact O-N 3.29Å; T651-D653 HydrophobicContact CG2-CB 4.16Å | ||
| 652 | R | 67.4 | Low | 69.1 | Low | 87 Ų | 87 | 64.8 Ų | 64.8 | 33% | 0.328 | 30% | 0.301 | S | S | . | . | trans | -99.8 | 16.5 | 175.3 | -52.9 | -163 | -155.9 | 83.2 | 4.1 | 114.2 | I168 D169 L650 K654 | I168-R652 PolarHBondContact O-NH2 3.41Å; D169-R652 IonicContact OD1-CZ 3.5Å; D169-R652 IonicContact OD1-NH1 3.33Å; D169-R652 PolarHBondContact OD1-NH1 3.22Å; D169-R652 IonicContact OD1-NH2 2.78Å; D169-R652 PolarHBondContact OD1-NH2 3.33Å; D169-R652 IonicContact OD2-NH1 2.72Å; D169-R652 PolarHBondContact OD2-NH1 3.34Å; D169-R652 VanDerWaalsContact OD2-NH1 3.07Å; L650-R652 HydrophobicContact CD2-CG 4.21Å; L650-R652 HydrophobicContact CG-CG 4.22Å; L650-R652 PolarHBondContact O-N 3.01Å; R652-K654 PolarHBondContact O-N 3.42Å | ||
| 653 | D | 60.2 | Low | 67.8 | Low | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | trans | -72.2 | 108.4 | -178.8 | -179.4 | 10.8 | 0 | 0 | 0 | 111.8 | T651 N655 R656 | T651-D653 HydrophobicContact CG2-CB 4.16Å; D653-N655 PolarHBondContact O-N 2.86Å; D653-N655 WeakPolarHBondContact OD1-CB 3.4Å; D653-N655 PolarHBondContact OD1-N 2.87Å; D653-R656 PolarHBondContact O-N 3.35Å | ||
| 654 | K | 54.5 | Low | 65.8 | Low | 128 Ų | 128 | 68.7 Ų | 68.7 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.9 | -34.4 | 176.9 | -63.3 | -169 | 176.1 | -164.5 | 0 | 113 | R652 R656 L657 | R652-K654 PolarHBondContact O-N 3.42Å; K654-R656 VanDerWaalsContact C-N 3.27Å; K654-R656 PolarHBondContact O-N 2.82Å; K654-L657 PolarHBondContact O-N 3.48Å |
| 655 | N | 52 | Low | 63.8 | Low | 126 Ų | 126 | 72 Ų | 72 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72 | -23.7 | -174.4 | -64 | -21.7 | 0 | 0 | 0 | 112.5 | D653 | D653-N655 PolarHBondContact O-N 2.86Å; D653-N655 WeakPolarHBondContact OD1-CB 3.4Å; D653-N655 PolarHBondContact OD1-N 2.87Å |
| 656 | R | 50.7 | Low | 62 | Low | 113 Ų | 113 | 77.7 Ų | 77.7 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -88.3 | -24.2 | -179.5 | -155.1 | 168.4 | -176.8 | -122.3 | -9.8 | 112.9 | E301 D653 K654 I658 R659 | E301-R656 VanDerWaalsContact CD-NH1 3.32Å; E301-R656 IonicContact OE1-CZ 3.78Å; E301-R656 IonicContact OE1-NH1 3.94Å; E301-R656 PolarHBondContact OE1-NH1 2.82Å; E301-R656 IonicContact OE1-NH2 3.32Å; E301-R656 PolarHBondContact OE1-NH2 3.06Å; E301-R656 IonicContact OE2-CZ 3.38Å; E301-R656 IonicContact OE2-NH1 3.29Å; E301-R656 PolarHBondContact OE2-NH1 3.36Å; E301-R656 IonicContact OE2-NH2 2.69Å; E301-R656 PolarHBondContact OE2-NH2 3.35Å; D653-R656 PolarHBondContact O-N 3.35Å; K654-R656 VanDerWaalsContact C-N 3.27Å; K654-R656 PolarHBondContact O-N 2.82Å; R656-I658 VanDerWaalsContact C-N 3.29Å; R656-I658 PolarHBondContact O-N 2.83Å; R656-R659 PolarHBondContact O-N 3Å |
| 657 | L | 48.7 | Very low | 60.2 | Low | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.4 | -29 | 176.1 | -79.9 | 157 | 0 | 0 | 0 | 113.4 | Q58 V224 L226 K654 R659 L660 | Q58-L657 VanDerWaalsContact OE1-CD1 3.27Å; V224-L657 HydrophobicContact CG1-CD2 3.45Å; V224-L657 VanDerWaalsContact CG1-CD2 3.45Å; V224-L657 HydrophobicContact CG1-CG 4.3Å; L226-L657 HydrophobicContact CD2-CD2 3.67Å; K654-L657 PolarHBondContact O-N 3.48Å; L657-R659 PolarHBondContact O-N 3.16Å; L657-L660 PolarHBondContact O-N 2.64Å |
| 658 | I | 45.6 | Very low | 59 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -52.2 | -29.6 | 173.8 | -59.5 | 172.2 | 0 | 0 | 0 | 111.7 | R656 L660 E661 | R656-I658 VanDerWaalsContact C-N 3.29Å; R656-I658 PolarHBondContact O-N 2.83Å; I658-L660 VanDerWaalsContact C-N 3.25Å; I658-L660 PolarHBondContact O-N 3Å; I658-E661 WeakPolarHBondContact O-CG 3.25Å; I658-E661 PolarHBondContact O-N 3.28Å |
| 659 | R | 45.1 | Very low | 57.9 | Low | 232 Ų | 232 | 83 Ų | 83 | 88% | 0.875 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -80.5 | 1.1 | 179.7 | -152.3 | 173.9 | -178.3 | 136.3 | 2.4 | 114.5 | R656 L657 | R656-R659 PolarHBondContact O-N 3Å; L657-R659 PolarHBondContact O-N 3.16Å |
| 660 | L | 48.4 | Very low | 57.3 | Low | 70 Ų | 70 | 86.8 Ų | 86.8 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -120.5 | 20.5 | 173.1 | -71.2 | 172.6 | 0 | 0 | 0 | 111.9 | L226 L657 I658 S662 | L226-L660 HydrophobicContact CD1-CD1 4.46Å; L657-L660 PolarHBondContact O-N 2.64Å; I658-L660 VanDerWaalsContact C-N 3.25Å; I658-L660 PolarHBondContact O-N 3Å; L660-S662 PolarHBondContact O-N 3.42Å |
| 661 | E | 46.4 | Very low | 57.1 | Low | 120 Ų | 120 | 88.9 Ų | 88.9 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | trans | -55.9 | 136.5 | 173.9 | -81.1 | 177.8 | -163.8 | 0 | 0 | 111.6 | I658 A665 | I658-E661 WeakPolarHBondContact O-CG 3.25Å; I658-E661 PolarHBondContact O-N 3.28Å; E661-A665 HydrophobicContact CB-CB 4.43Å | ||
| 662 | S | 49.6 | Very low | 57.3 | Low | 32 Ų | 32 | 92 Ų | 92 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | trans | -56 | 163.6 | -170.6 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | L660 Q664 A665 | L660-S662 PolarHBondContact O-N 3.42Å; S662-Q664 PolarHBondContact O-N 2.93Å; S662-Q664 WeakPolarHBondContact OG-CB 3.42Å; S662-A665 WeakPolarHBondContact O-CB 3.49Å; S662-A665 PolarHBondContact O-N 3.38Å | ||
| 663 | V | 48.6 | Very low | 57.9 | Low | 89 Ų | 89 | 90.4 Ų | 90.4 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -51.5 | -21.5 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | M49 A665 I666 Y667 | M49-V663 HydrophobicContact CE-CG1 4.32Å; V663-A665 PolarHBondContact O-N 3.04Å; V663-I666 CarbonylContact O-C 3.56Å; V663-I666 PolarHBondContact O-N 2.76Å; V663-Y667 PolarHBondContact O-N 3.15Å |
| 664 | Q | 48 | Very low | 59.1 | Low | 104 Ų | 104 | 91.8 Ų | 91.8 | 49% | 0.486 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.2 | -30.7 | 169.4 | -140.4 | 91.8 | 7.3 | 0 | 0 | 114.2 | S662 Y667 | S662-Q664 PolarHBondContact O-N 2.93Å; S662-Q664 WeakPolarHBondContact OG-CB 3.42Å; Q664-Y667 CarbonylContact O-C 3.6Å |
| 665 | A | 49.5 | Very low | 60.6 | Low | 70 Ų | 70 | 91 Ų | 91 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -81.3 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E661 S662 V663 | E661-A665 HydrophobicContact CB-CB 4.43Å; S662-A665 WeakPolarHBondContact O-CB 3.49Å; S662-A665 PolarHBondContact O-N 3.38Å; V663-A665 PolarHBondContact O-N 3.04Å |
| 666 | I | 54.3 | Low | 62.1 | Low | 145 Ų | 145 | 87 Ų | 87 | 74% | 0.744 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -84.3 | -29.4 | 176.3 | -57.4 | 176.4 | 0 | 0 | 0 | 110.7 | V663 | V663-I666 CarbonylContact O-C 3.56Å; V663-I666 PolarHBondContact O-N 2.76Å |
| 667 | Y | 57.1 | Low | 63.6 | Low | 39 Ų | 39 | 85.3 Ų | 85.3 | 15% | 0.153 | 45% | 0.448 | C | S | . | . | trans | -132.1 | 94.3 | 179.9 | -167.6 | -94.4 | 0 | 0 | 0 | 111.1 | L45 M49 V663 Q664 P669 E672 | L45-Y667 HydrophobicContact CD1-CD1 4.49Å; L45-Y667 HydrophobicContact CD1-CE1 3.96Å; L45-Y667 HydrophobicContact CD1-CE2 4.4Å; M49-Y667 HydrophobicContact CE-CD1 3.65Å; M49-Y667 HydrophobicContact CE-CE1 4.41Å; M49-Y667 HydrophobicContact CE-CG 4.03Å; M49-Y667 HydrophobicContact SD-CD1 4.43Å; V663-Y667 PolarHBondContact O-N 3.15Å; Q664-Y667 CarbonylContact O-C 3.6Å; Y667-P669 HydrophobicContact CE1-CB 4.18Å; Y667-P669 VanDerWaalsContact O-CD 3.23Å; Y667-P669 WeakPolarHBondContact O-CD 3.33Å; Y667-E672 HydrophobicContact CD2-CG 4.49Å; Y667-E672 HydrophobicContact CE2-CG 3.84Å | ||
| 668 | S | 68.4 | Low | 65.5 | Low | 57 Ų | 57 | 87.2 Ų | 87.2 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | trans | -86.4 | 105.9 | 168.3 | 177 | 0 | 0 | 0 | 0 | 109.4 | I670 A671 E672 | S668-I670 PolarHBondContact O-N 2.74Å; S668-A671 PolarHBondContact O-N 2.75Å; S668-A671 PolarHBondContact OG-N 2.99Å; S668-E672 PolarHBondContact O-N 3.35Å | ||
| 669 | P | 70.4 | Confident | 67.4 | Low | 23 Ų | 23 | 85.2 Ų | 85.2 | 15% | 0.149 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.3 | -26.1 | 179.7 | 27.4 | -36.2 | 0 | 0 | 0 | 112 | W38 Y42 Y667 L673 | W38-P669 HydrophobicContact CZ2-CB 3.9Å; W38-P669 VanDerWaalsContact CZ2-O 3.28Å; W38-P669 WeakPolarHBondContact CZ2-O 3.18Å; Y42-P669 HydrophobicContact CD2-CB 3.77Å; Y42-P669 HydrophobicContact CE2-CB 3.51Å; Y42-P669 HydrophobicContact CE2-CG 3.83Å; Y667-P669 HydrophobicContact CE1-CB 4.18Å; Y667-P669 VanDerWaalsContact O-CD 3.23Å; Y667-P669 WeakPolarHBondContact O-CD 3.33Å; P669-L673 VanDerWaalsContact O-CB 3.27Å; P669-L673 WeakPolarHBondContact O-CB 3.47Å; P669-L673 PolarHBondContact O-N 3.33Å |
| 670 | I | 77.3 | Confident | 69.2 | Low | 131 Ų | 131 | 74.4 Ų | 74.4 | 67% | 0.672 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.3 | -37.2 | 175.9 | -59.3 | 175.7 | 0 | 0 | 0 | 110.5 | S668 L674 | S668-I670 PolarHBondContact O-N 2.74Å; I670-L674 VanDerWaalsContact O-CB 3.23Å; I670-L674 WeakPolarHBondContact O-CB 3.46Å; I670-L674 PolarHBondContact O-N 2.92Å |
| 671 | A | 80.1 | Confident | 71 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S668 L673 L674 D675 | S668-A671 PolarHBondContact O-N 2.75Å; S668-A671 PolarHBondContact OG-N 2.99Å; A671-L673 PolarHBondContact O-N 2.91Å; A671-L674 PolarHBondContact O-N 2.98Å; A671-D675 PolarHBondContact O-N 3.04Å |
| 672 | E | 81 | Confident | 72.9 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 174 | -71.4 | -74.5 | 133.3 | 0 | 0 | 111.9 | Y667 S668 D675 L676 | Y667-E672 HydrophobicContact CD2-CG 4.49Å; Y667-E672 HydrophobicContact CE2-CG 3.84Å; S668-E672 PolarHBondContact O-N 3.35Å; E672-D675 PolarHBondContact O-N 3.3Å; E672-L676 WeakPolarHBondContact O-CB 3.32Å; E672-L676 PolarHBondContact O-N 2.94Å |
| 673 | L | 81.2 | Confident | 74.5 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 177.3 | -178.1 | 61.5 | 0 | 0 | 0 | 112.2 | W38 P669 A671 L676 I677 | W38-L673 HydrophobicContact CE3-CD1 4.18Å; W38-L673 HydrophobicContact CH2-CB 4.15Å; W38-L673 HydrophobicContact CH2-CD1 4.48Å; W38-L673 HydrophobicContact CH2-CD2 4.11Å; W38-L673 HydrophobicContact CH2-CG 4.48Å; W38-L673 HydrophobicContact CZ2-CB 3.95Å; W38-L673 HydrophobicContact CZ3-CD1 4.15Å; W38-L673 HydrophobicContact CZ3-CD2 4.28Å; P669-L673 VanDerWaalsContact O-CB 3.27Å; P669-L673 WeakPolarHBondContact O-CB 3.47Å; P669-L673 PolarHBondContact O-N 3.33Å; A671-L673 PolarHBondContact O-N 2.91Å; L673-L676 PolarHBondContact O-N 3.24Å; L673-I677 HydrophobicContact CD1-CD1 4.14Å; L673-I677 HydrophobicContact CG-CD1 4Å; L673-I677 WeakPolarHBondContact O-CB 3.42Å; L673-I677 WeakPolarHBondContact O-CD1 3.38Å; L673-I677 VanDerWaalsContact O-CG1 3.24Å; L673-I677 WeakPolarHBondContact O-CG1 3.38Å; L673-I677 PolarHBondContact O-N 3.14Å |
| 674 | L | 84.3 | Confident | 76 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 57% | 0.571 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.1 | -45.8 | 177 | -164.6 | 84.2 | 0 | 0 | 0 | 111.1 | I670 A671 L676 I677 V678 | I670-L674 VanDerWaalsContact O-CB 3.23Å; I670-L674 WeakPolarHBondContact O-CB 3.46Å; I670-L674 PolarHBondContact O-N 2.92Å; A671-L674 PolarHBondContact O-N 2.98Å; L674-L676 VanDerWaalsContact C-N 3.33Å; L674-L676 PolarHBondContact O-N 3.29Å; L674-I677 PolarHBondContact O-N 3.33Å; L674-V678 HydrophobicContact CG-CG2 4.42Å; L674-V678 WeakPolarHBondContact O-CB 3.5Å; L674-V678 VanDerWaalsContact O-CG2 3.28Å; L674-V678 WeakPolarHBondContact O-CG2 3.34Å; L674-V678 PolarHBondContact O-N 3.36Å |
| 675 | D | 85 | Confident | 77.6 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 177 | -170.7 | 54.5 | 0 | 0 | 0 | 111.5 | A671 E672 I677 V678 S679 | A671-D675 PolarHBondContact O-N 3.04Å; E672-D675 PolarHBondContact O-N 3.3Å; D675-I677 VanDerWaalsContact C-N 3.32Å; D675-I677 PolarHBondContact O-N 3.48Å; D675-V678 PolarHBondContact O-N 2.91Å; D675-S679 WeakPolarHBondContact O-CB 3.36Å; D675-S679 PolarHBondContact O-N 3.37Å |
| 676 | L | 84 | Confident | 79.2 | Confident | 42 Ų | 42 | 77.3 Ų | 77.3 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 173.4 | -155.4 | 78.5 | 0 | 0 | 0 | 112.5 | R34 V35 W38 E672 L673 L674 G680 | R34-L676 HydrophobicContact CB-CD1 4.12Å; R34-L676 HydrophobicContact CB-CD2 4.13Å; R34-L676 HydrophobicContact CB-CG 4.38Å; V35-L676 HydrophobicContact CB-CD2 4.5Å; V35-L676 HydrophobicContact CG2-CD2 3.75Å; W38-L676 HydrophobicContact CB-CD2 4.3Å; E672-L676 WeakPolarHBondContact O-CB 3.32Å; E672-L676 PolarHBondContact O-N 2.94Å; L673-L676 PolarHBondContact O-N 3.24Å; L674-L676 VanDerWaalsContact C-N 3.33Å; L674-L676 PolarHBondContact O-N 3.29Å; L676-G680 PolarHBondContact O-N 3.4Å |
| 677 | I | 83.1 | Confident | 80.3 | Confident | 78 Ų | 78 | 71 Ų | 71 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.4 | -43.9 | 177.1 | -70.5 | 166.2 | 0 | 0 | 0 | 110.9 | L673 L674 D675 G680 L681 | L673-I677 HydrophobicContact CD1-CD1 4.14Å; L673-I677 HydrophobicContact CG-CD1 4Å; L673-I677 WeakPolarHBondContact O-CB 3.42Å; L673-I677 WeakPolarHBondContact O-CD1 3.38Å; L673-I677 VanDerWaalsContact O-CG1 3.24Å; L673-I677 WeakPolarHBondContact O-CG1 3.38Å; L673-I677 PolarHBondContact O-N 3.14Å; L674-I677 PolarHBondContact O-N 3.33Å; D675-I677 VanDerWaalsContact C-N 3.32Å; D675-I677 PolarHBondContact O-N 3.48Å; I677-G680 PolarHBondContact O-N 3.24Å; I677-L681 HydrophobicContact CG2-CD1 3.9Å; I677-L681 HydrophobicContact CG2-CG 4.41Å; I677-L681 WeakPolarHBondContact O-CB 3.49Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.05Å; I677-L681 PolarHBondContact O-N 2.98Å |
| 678 | V | 87.5 | Confident | 81.3 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 178.6 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | L674 D675 G680 L681 L682 | L674-V678 HydrophobicContact CG-CG2 4.42Å; L674-V678 WeakPolarHBondContact O-CB 3.5Å; L674-V678 VanDerWaalsContact O-CG2 3.28Å; L674-V678 WeakPolarHBondContact O-CG2 3.34Å; L674-V678 PolarHBondContact O-N 3.36Å; D675-V678 PolarHBondContact O-N 2.91Å; V678-G680 PolarHBondContact O-N 3.43Å; V678-L681 PolarHBondContact O-N 3.5Å; V678-L682 VanDerWaalsContact O-CB 3.23Å; V678-L682 WeakPolarHBondContact O-CB 3.28Å; V678-L682 PolarHBondContact O-N 2.93Å |
| 679 | S | 85.9 | Confident | 81.9 | Confident | 57 Ų | 57 | 76 Ų | 76 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | D675 L682 L683 | D675-S679 WeakPolarHBondContact O-CB 3.36Å; D675-S679 PolarHBondContact O-N 3.37Å; S679-L682 PolarHBondContact O-N 3.14Å; S679-L683 WeakPolarHBondContact O-CB 3.48Å; S679-L683 WeakPolarHBondContact O-CG 3.5Å; S679-L683 PolarHBondContact O-N 3.39Å |
| 680 | G | 83.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 80 Ų | 80 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L676 I677 V678 A684 | L676-G680 PolarHBondContact O-N 3.4Å; I677-G680 PolarHBondContact O-N 3.24Å; V678-G680 PolarHBondContact O-N 3.43Å; G680-A684 PolarHBondContact O-N 3.4Å |
| 681 | L | 84.7 | Confident | 81.9 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 175.3 | -74.3 | 170 | 0 | 0 | 0 | 111.8 | I677 V678 A684 F685 | I677-L681 HydrophobicContact CG2-CD1 3.9Å; I677-L681 HydrophobicContact CG2-CG 4.41Å; I677-L681 WeakPolarHBondContact O-CB 3.49Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.05Å; I677-L681 PolarHBondContact O-N 2.98Å; V678-L681 PolarHBondContact O-N 3.5Å; L681-A684 WeakPolarHBondContact O-CB 3.03Å; L681-A684 PolarHBondContact O-N 3.47Å; L681-A684 VanDerWaalsContact O-N 3.17Å; L681-F685 WeakPolarHBondContact O-CD2 3.46Å; L681-F685 PolarHBondContact O-N 3.28Å |
| 682 | L | 86.6 | Confident | 81.6 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | -179.2 | -160.9 | 158.8 | 0 | 0 | 0 | 110.6 | V678 S679 F685 L686 | V678-L682 VanDerWaalsContact O-CB 3.23Å; V678-L682 WeakPolarHBondContact O-CB 3.28Å; V678-L682 PolarHBondContact O-N 2.93Å; S679-L682 PolarHBondContact O-N 3.14Å; L682-F685 PolarHBondContact O-N 3.45Å; L682-L686 HydrophobicContact CD2-CD1 3.58Å; L682-L686 HydrophobicContact CD2-CG 4.03Å; L682-L686 WeakPolarHBondContact O-CB 3.31Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.32Å |
| 683 | L | 82.8 | Confident | 81.3 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 169.4 | -72.6 | 169.6 | 0 | 0 | 0 | 112.3 | S679 L686 S687 | S679-L683 WeakPolarHBondContact O-CB 3.48Å; S679-L683 WeakPolarHBondContact O-CG 3.5Å; S679-L683 PolarHBondContact O-N 3.39Å; L683-L686 PolarHBondContact O-N 3Å; L683-S687 WeakPolarHBondContact O-CB 3.44Å; L683-S687 PolarHBondContact O-N 2.99Å |
| 684 | A | 80.1 | Confident | 80.6 | Confident | 28 Ų | 28 | 80 Ų | 80 | 23% | 0.231 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V27 G680 L681 S687 I688 | V27-A684 HydrophobicContact CG1-CB 4.28Å; G680-A684 PolarHBondContact O-N 3.4Å; L681-A684 WeakPolarHBondContact O-CB 3.03Å; L681-A684 PolarHBondContact O-N 3.47Å; L681-A684 VanDerWaalsContact O-N 3.17Å; A684-S687 PolarHBondContact O-N 3.21Å; A684-S687 PolarHBondContact O-OG 3.08Å; A684-I688 WeakPolarHBondContact O-CG1 3.3Å; A684-I688 PolarHBondContact O-N 2.93Å |
| 685 | F | 83.6 | Confident | 79.5 | Confident | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 176.3 | -81.7 | -65.6 | 0 | 0 | 0 | 112.5 | L681 L682 S687 I688 F689 | L681-F685 WeakPolarHBondContact O-CD2 3.46Å; L681-F685 PolarHBondContact O-N 3.28Å; L682-F685 PolarHBondContact O-N 3.45Å; F685-S687 VanDerWaalsContact C-N 3.31Å; F685-S687 PolarHBondContact O-N 2.91Å; F685-I688 PolarHBondContact O-N 3.07Å; F685-F689 VanDerWaalsContact O-CB 3.26Å; F685-F689 WeakPolarHBondContact O-CB 3.42Å; F685-F689 PolarHBondContact O-N 3.16Å |
| 686 | L | 82.2 | Confident | 78 | Confident | 85 Ų | 85 | 77 Ų | 77 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 174.2 | -76.8 | 173.3 | 0 | 0 | 0 | 111.5 | L682 L683 F689 L690 | L682-L686 HydrophobicContact CD2-CD1 3.58Å; L682-L686 HydrophobicContact CD2-CG 4.03Å; L682-L686 WeakPolarHBondContact O-CB 3.31Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.32Å; L683-L686 PolarHBondContact O-N 3Å; L686-F689 PolarHBondContact O-N 3.45Å; L686-L690 WeakPolarHBondContact O-CB 3.34Å; L686-L690 VanDerWaalsContact O-CG 3.26Å; L686-L690 WeakPolarHBondContact O-CG 3.4Å; L686-L690 PolarHBondContact O-N 2.92Å |
| 687 | S | 77.1 | Confident | 76.2 | Confident | 11 Ų | 11 | 81.7 Ų | 81.7 | 8% | 0.077 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 179 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | L23 L683 A684 F685 L691 | L23-S687 VanDerWaalsContact CD2-CB 3.47Å; L683-S687 WeakPolarHBondContact O-CB 3.44Å; L683-S687 PolarHBondContact O-N 2.99Å; A684-S687 PolarHBondContact O-N 3.21Å; A684-S687 PolarHBondContact O-OG 3.08Å; F685-S687 VanDerWaalsContact C-N 3.31Å; F685-S687 PolarHBondContact O-N 2.91Å; S687-L691 WeakPolarHBondContact O-CB 3.41Å; S687-L691 VanDerWaalsContact O-CG 3.25Å; S687-L691 WeakPolarHBondContact O-CG 3.2Å; S687-L691 PolarHBondContact O-N 3.3Å |
| 688 | I | 78.7 | Confident | 74.3 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 176.7 | -66.4 | 165.1 | 0 | 0 | 0 | 110.6 | A684 F685 L691 N692 | A684-I688 WeakPolarHBondContact O-CG1 3.3Å; A684-I688 PolarHBondContact O-N 2.93Å; F685-I688 PolarHBondContact O-N 3.07Å; I688-L691 PolarHBondContact O-N 3.42Å; I688-N692 WeakPolarHBondContact O-CB 3.45Å; I688-N692 PolarHBondContact O-N 3.11Å; I688-N692 PolarHBondContact O-ND2 3.32Å |
| 689 | F | 79.9 | Confident | 72.1 | Confident | 128 Ų | 128 | 86.7 Ų | 86.7 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | 178.2 | -172.3 | -111.1 | 0 | 0 | 0 | 112.1 | F685 L686 N692 I693 | F685-F689 VanDerWaalsContact O-CB 3.26Å; F685-F689 WeakPolarHBondContact O-CB 3.42Å; F685-F689 PolarHBondContact O-N 3.16Å; L686-F689 PolarHBondContact O-N 3.45Å; F689-N692 PolarHBondContact O-N 2.7Å; F689-I693 HydrophobicContact CD1-CD1 3.79Å; F689-I693 HydrophobicContact CE1-CD1 3.43Å; F689-I693 VanDerWaalsContact CE1-CD1 3.43Å; F689-I693 HydrophobicContact CE2-CD1 4.4Å; F689-I693 HydrophobicContact CG-CD1 4.42Å; F689-I693 HydrophobicContact CZ-CD1 3.78Å; F689-I693 WeakPolarHBondContact O-CG1 3.33Å; F689-I693 PolarHBondContact O-N 3.45Å |
| 690 | L | 77.6 | Confident | 69.9 | Low | 105 Ų | 105 | 91.8 Ų | 91.8 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 173.3 | -71.5 | 169.3 | 0 | 0 | 0 | 111.6 | L686 N692 I693 C694 | L686-L690 WeakPolarHBondContact O-CB 3.34Å; L686-L690 VanDerWaalsContact O-CG 3.26Å; L686-L690 WeakPolarHBondContact O-CG 3.4Å; L686-L690 PolarHBondContact O-N 2.92Å; L690-N692 VanDerWaalsContact C-N 3.34Å; L690-N692 PolarHBondContact O-N 3.4Å; L690-I693 PolarHBondContact O-N 3.4Å; L690-C694 WeakPolarHBondContact O-CB 3.4Å; L690-C694 PolarHBondContact O-N 2.89Å; L690-C694 PolarHBondContact O-SG 3.39Å; L690-C694 VanDerWaalsContact O-SG 3.34Å |
| 691 | L | 71.1 | Confident | 67.7 | Low | 38 Ų | 38 | 95.8 Ų | 95.8 | 20% | 0.199 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 174.8 | -78.1 | 167.8 | 0 | 0 | 0 | 112.3 | I19 C20 L23 S687 I688 C694 V695 | I19-L691 HydrophobicContact CG2-CD2 4.28Å; C20-L691 HydrophobicContact CB-CD1 3.96Å; L23-L691 HydrophobicContact CD1-CD1 4.03Å; L23-L691 HydrophobicContact CD1-CG 4.37Å; S687-L691 WeakPolarHBondContact O-CB 3.41Å; S687-L691 VanDerWaalsContact O-CG 3.25Å; S687-L691 WeakPolarHBondContact O-CG 3.2Å; S687-L691 PolarHBondContact O-N 3.3Å; I688-L691 PolarHBondContact O-N 3.42Å; L691-C694 PolarHBondContact O-N 2.64Å; L691-V695 VanDerWaalsContact O-CB 3.27Å; L691-V695 WeakPolarHBondContact O-CB 3.49Å; L691-V695 WeakPolarHBondContact O-CG2 3.27Å; L691-V695 PolarHBondContact O-N 3.27Å |
| 692 | N | 74.5 | Confident | 65.4 | Low | 100 Ų | 100 | 98 Ų | 98 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 176.1 | -78.1 | -28.8 | 0 | 0 | 0 | 111.8 | I688 F689 L690 C694 V695 S696 | I688-N692 WeakPolarHBondContact O-CB 3.45Å; I688-N692 PolarHBondContact O-N 3.11Å; I688-N692 PolarHBondContact O-ND2 3.32Å; F689-N692 PolarHBondContact O-N 2.7Å; L690-N692 VanDerWaalsContact C-N 3.34Å; L690-N692 PolarHBondContact O-N 3.4Å; N692-C694 VanDerWaalsContact C-N 3.29Å; N692-C694 PolarHBondContact O-N 3.43Å; N692-V695 PolarHBondContact O-N 3.48Å; N692-S696 PolarHBondContact O-N 3.11Å; N692-S696 PolarHBondContact O-OG 2.99Å |
| 693 | I | 73.5 | Confident | 62.8 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.6 | -40.1 | 176.5 | -72.7 | 172.3 | 0 | 0 | 0 | 111.4 | F689 L690 V695 S696 | F689-I693 HydrophobicContact CD1-CD1 3.79Å; F689-I693 HydrophobicContact CE1-CD1 3.43Å; F689-I693 VanDerWaalsContact CE1-CD1 3.43Å; F689-I693 HydrophobicContact CE2-CD1 4.4Å; F689-I693 HydrophobicContact CG-CD1 4.42Å; F689-I693 HydrophobicContact CZ-CD1 3.78Å; F689-I693 WeakPolarHBondContact O-CG1 3.33Å; F689-I693 PolarHBondContact O-N 3.45Å; L690-I693 PolarHBondContact O-N 3.4Å; I693-V695 PolarHBondContact O-N 3.11Å; I693-S696 PolarHBondContact O-OG 3.2Å |
| 694 | C | 67.1 | Low | 60.7 | Low | 106 Ų | 106 | 100.5 Ų | 100.5 | 72% | 0.716 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -3.1 | 176.8 | -68.5 | 0 | 0 | 0 | 0 | 114.5 | L690 L691 N692 | L690-C694 WeakPolarHBondContact O-CB 3.4Å; L690-C694 PolarHBondContact O-N 2.89Å; L690-C694 PolarHBondContact O-SG 3.39Å; L690-C694 VanDerWaalsContact O-SG 3.34Å; L691-C694 PolarHBondContact O-N 2.64Å; N692-C694 VanDerWaalsContact C-N 3.29Å; N692-C694 PolarHBondContact O-N 3.43Å |
| 695 | V | 61.9 | Low | 58.7 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 40% | 0.4 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.5 | -22.1 | -174.2 | 169.1 | 0 | 0 | 0 | 0 | 113.5 | K16 L691 N692 I693 H697 | K16-V695 HydrophobicContact CD-CG1 4.26Å; K16-V695 HydrophobicContact CD-CG2 4.1Å; L691-V695 VanDerWaalsContact O-CB 3.27Å; L691-V695 WeakPolarHBondContact O-CB 3.49Å; L691-V695 WeakPolarHBondContact O-CG2 3.27Å; L691-V695 PolarHBondContact O-N 3.27Å; N692-V695 PolarHBondContact O-N 3.48Å; I693-V695 PolarHBondContact O-N 3.11Å; V695-H697 PolarHBondContact O-N 3.47Å |
| 696 | S | 52.8 | Low | 56.3 | Low | 91 Ų | 91 | 108 Ų | 108 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -68.3 | 91 | 176.4 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | N692 I693 | N692-S696 PolarHBondContact O-N 3.11Å; N692-S696 PolarHBondContact O-OG 2.99Å; I693-S696 PolarHBondContact O-OG 3.2Å | ||
| 697 | H | 45.1 | Very low | 54.1 | Low | 141 Ų | 141 | 112.6 Ų | 112.6 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | trans | -78.5 | 126.9 | 175.4 | -160 | -67.3 | 0 | 0 | 0 | 109.8 | V695 N699 | V695-H697 PolarHBondContact O-N 3.47Å; H697-N699 PolarHBondContact ND1-OD1 3.45Å | ||
| 698 | P | 43.5 | Very low | 52.1 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | trans | -72.6 | 131.6 | 171 | 30 | -32.5 | 0 | 0 | 0 | 109.4 | ||||
| 699 | N | 42 | Very low | 49.8 | Very low | 140 Ų | 140 | 120 Ų | 120 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -125.3 | 118.1 | 167.9 | -87.7 | 6.5 | 0 | 0 | 0 | 108.6 | H697 | H697-N699 PolarHBondContact ND1-OD1 3.45Š| ||
| 700 | N | 39.7 | Very low | 47.5 | Very low | 165 Ų | 165 | 119 Ų | 119 | 88% | 0.882 | 69% | 0.688 | S | S | * | * | trans | -66.9 | 157 | 153.4 | -74.1 | -7.2 | 0 | 0 | 0 | 108.7 | ||||
| 701 | S | 38.6 | Very low | 45.1 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | cis | -141.8 | 172.2 | 10 | 53.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 702 | D | 36.2 | Very low | 43 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 77.9 | 140.2 | 155.8 | -49.6 | -48.3 | 0 | 0 | 0 | 119.8 | ||
| 703 | S | 32.1 | Very low | 40.9 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 64.6 | 50 | 174.8 | 67.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 704 | C | 38.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 86% | 0.858 | 75% | 0.75 | S | S | * | * | trans | -141.8 | 110.8 | 150.2 | -146.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 705 | Y | 37.1 | Very low | 37.4 | Very low | 221 Ų | 221 | 127 Ų | 127 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 126.6 | 171.6 | -78.6 | -109.3 | 0 | 0 | 0 | 108.1 | ||||
| 706 | S | 33.2 | Very low | 36.7 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 69.4 | 75.5 | 66.2 | -179.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 707 | E | 36.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 137.9 | 156.5 | -162.3 | 164.7 | -127.6 | 0 | 0 | 109.2 | ||||
| 708 | C | 34.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 134 Ų | 134 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 49 | 58.4 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 709 | C | 32.2 | Very low | 35.2 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -74.5 | 177.1 | 140 | -162.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 710 | C | 29.9 | Very low | 35.1 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | 71.1 | 133.4 | -179 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 711 | C | 27.3 | Very low | 35 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | 66.6 | 116.1 | 45.2 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 712 | C | 28.5 | Very low | 34.9 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 67.4 | 171.2 | 159.1 | -56.2 | 0 | 0 | 0 | 0 | 118 | ||
| 713 | S | 29.4 | Very low | 34.9 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -40.9 | 152.1 | 174 | -40.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 714 | T | 32 | Very low | 35.1 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 73.1 | 110.6 | 146 | 50.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 715 | L | 35 | Very low | 34.8 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 72.3 | 118.2 | 122.6 | -63.7 | 167.4 | 0 | 0 | 0 | 123.7 | |||||
| 716 | V | 46.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | 94.8 | 105.2 | 125.1 | 173.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 717 | N | 37.3 | Very low | 34.7 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 63.2 | 134.9 | 133.3 | -71.9 | -26.9 | 0 | 0 | 0 | 127.7 | ||||
| 718 | K | 36.1 | Very low | 34.9 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | 109.3 | 110.8 | 121.6 | -104.3 | -175.1 | 178.7 | -177 | 0 | 123.9 | |||||
| 719 | S | 37.5 | Very low | 35 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 65.6 | 153.5 | 127.2 | 67.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 720 | T | 39.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | cis | -163.8 | 175.1 | 4.1 | -1.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 721 | N | 38.2 | Very low | 35.6 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 82.4 | 149.4 | 160.1 | -60.9 | -24.9 | 0 | 0 | 0 | 119.5 | ||||
| 722 | S | 35.6 | Very low | 36 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -174.5 | 144.1 | -22.6 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 723 | K | 37.4 | Very low | 36.4 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | 65.9 | 157.6 | 150.3 | -71.1 | 176.2 | -179.8 | -178.7 | 0 | 119.6 | ||||
| 724 | S | 36.2 | Very low | 36.7 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -177.2 | 159.2 | -21 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 725 | C | 31.9 | Very low | 36.9 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 70.8 | 151.4 | 154.1 | -64.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 726 | E | 35.8 | Very low | 36.7 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | cis | -163 | -179 | -27.3 | -125.4 | 168.4 | 142 | 0 | 0 | 112.9 | ||||
| 727 | S | 32.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -89.3 | 177.8 | -170 | 71 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 728 | P | 39.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | -156 | 145.5 | 98.7 | 37.9 | -18.2 | 0 | 0 | 0 | 119.7 | |||||
| 729 | K | 36.9 | Very low | 35.7 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | 67.1 | 159.2 | 142.4 | -65.1 | 167.3 | -172.8 | 174.4 | 0 | 120.9 | ||||
| 730 | L | 35.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | cis | -174.7 | 123.3 | -31.4 | 176.4 | 66.1 | 0 | 0 | 0 | 109.9 | ||||
| 731 | A | 38.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -160.1 | 130.2 | 157 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 732 | T | 36.9 | Very low | 34.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -71.2 | 149.4 | -180 | 41.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 733 | H | 37 | Very low | 34.4 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 73% | 0.731 | 77% | 0.767 | S | S | * | * | -163.9 | 136.4 | 74.1 | -110.3 | -88 | 0 | 0 | 0 | 116.9 | |||||
| 734 | T | 35.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 64.8 | 125.7 | 148.5 | 35.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 735 | T | 35.5 | Very low | 33.6 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 76 | 75.9 | 143.8 | 49.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 736 | L | 31.7 | Very low | 33.7 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -41.6 | 177.5 | 133.9 | -96.1 | 70.2 | 0 | 0 | 0 | 115.7 | ||||
| 737 | P | 34.6 | Very low | 33.5 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -137.8 | 175.8 | -11.2 | 30 | -8.4 | 0 | 0 | 0 | 116.8 | ||||
| 738 | T | 29.8 | Very low | 33.7 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -113.4 | 135.9 | 160.2 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 739 | S | 33.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -177.2 | 120.2 | 153.8 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 740 | S | 30.9 | Very low | 33.3 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | 93 | 131.5 | 42.2 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 741 | Y | 29 | Very low | 33.2 | Very low | 215 Ų | 215 | 127.5 Ų | 127.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 85.4 | 146.3 | 159.1 | -84.3 | -75.5 | 0 | 0 | 0 | 122.7 | ||||
| 742 | I | 33.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | 72.9 | 91.8 | 162.1 | -61 | 149.2 | 0 | 0 | 0 | 115.7 | ||||
| 743 | N | 29.5 | Very low | 33 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 81.8 | 143.8 | 76.6 | -160.5 | 27.7 | 0 | 0 | 0 | 115.4 | |||||
| 744 | C | 27.3 | Very low | 32.8 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 94.2 | 167.6 | -65.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 745 | N | 30.7 | Very low | 32.8 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 70.3 | 163.2 | 127.9 | -69.3 | 5.4 | 0 | 0 | 0 | 123.8 | |||||
| 746 | T | 34 | Very low | 32.7 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 69.9 | 92.6 | 165.1 | 41.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 747 | D | 31.9 | Very low | 32.8 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | 32.3 | 124.1 | 123.5 | -52.2 | -50.1 | 0 | 0 | 0 | 121.2 | |||||
| 748 | S | 36.1 | Very low | 32.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 166.8 | 152.8 | 107.2 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 749 | G | 32.8 | Very low | 32.7 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 72.8 | 119.7 | 164 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 750 | S | 34.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | 53.5 | 121.7 | 62.9 | -172 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 751 | S | 34.5 | Very low | 32.6 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -166.3 | -167.9 | -12 | 50.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 752 | S | 35.9 | Very low | 32.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | -170.9 | -175.5 | 16.9 | -155.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 753 | K | 34.6 | Very low | 32.4 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 107.9 | 155.4 | -72.5 | 169.4 | -176.3 | 169.5 | 0 | 121.8 | ||||
| 754 | R | 33.7 | Very low | 32.5 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 89.7 | 95.7 | 135.5 | -65.1 | -175.2 | -179.6 | -164.3 | 1.1 | 121.9 | ||||
| 755 | L | 35.1 | Very low | 32.6 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | 71.6 | 152 | 115.3 | -110.2 | 80.9 | 0 | 0 | 0 | 120.8 | |||||
| 756 | P | 34.5 | Very low | 32.7 | Very low | 108 Ų | 108 | 153.5 Ų | 153.5 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -132.2 | 163.3 | -81.4 | 40.7 | -27.3 | 0 | 0 | 0 | 114 | |||||
| 757 | K | 32 | Very low | 32.5 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -164.7 | 141 | 158.1 | -117.3 | 168.9 | -174.5 | 177.3 | 0 | 115.2 | ||||
| 758 | L | 32.8 | Very low | 32.6 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | 58.6 | 144.2 | 163.3 | -96.8 | 67.8 | 0 | 0 | 0 | 120.4 | ||||
| 759 | N | 31.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 153 Ų | 153 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -89.3 | 148.1 | 179.5 | -60.4 | -19.3 | 0 | 0 | 0 | 111.3 | ||||
| 760 | T | 28.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 155.4 Ų | 155.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -119.7 | 128.2 | 156.3 | 31.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 761 | I | 32.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -105.5 | 137.1 | 170.5 | -66.7 | 179.2 | 0 | 0 | 0 | 107.6 | ||||
| 762 | S | 29.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 157 Ų | 157 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -83.9 | 132.2 | -174.4 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 763 | Y | 28.8 | Very low | 31.8 | Very low | 225 Ų | 225 | 159.8 Ų | 159.8 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -81.3 | 139 | 162.2 | -82.9 | -94.1 | 0 | 0 | 0 | 109.7 | ||||
| 764 | R | 31.7 | Very low | 31.7 | Very low | 242 Ų | 242 | 158.7 Ų | 158.7 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -124.5 | 119.8 | 171.8 | -135.1 | -178.5 | -165.1 | -178 | 4.5 | 109.1 | ||||
| 765 | N | 29.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 156 Ų | 156 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 146.6 | 177 | -62.9 | -5.4 | 0 | 0 | 0 | 110.8 | ||||
| 766 | Y | 31.7 | Very low | 31.1 | Very low | 234 Ų | 234 | 153.4 Ų | 153.4 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | -139 | 118.5 | 139.2 | -111.3 | -78.9 | 0 | 0 | 0 | 109 | ||||
| 767 | S | 30.3 | Very low | 30.9 | Very low | 82 Ų | 82 | 158 Ų | 158 | 57% | 0.573 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 148 | 166.3 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 768 | D | 34.7 | Very low | 30.6 | Very low | 147 Ų | 147 | 158.6 Ų | 158.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | 167.1 | 157.4 | 115.4 | -86.3 | -11.6 | 0 | 0 | 0 | 114.5 | |||||
| 769 | L | 32.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 76.5 | 156.6 | -68.3 | 158.3 | 0 | 0 | 0 | 119.9 | ||||
| 770 | V | 32.4 | Very low | 30 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | 31.8 | 123.4 | 115.6 | -174.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 771 | P | 31.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 152 | 168.9 | 36 | -33.9 | 0 | 0 | 0 | 113.4 | ||||
| 772 | T | 32.9 | Very low | 29.5 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -142 | 138.6 | 161.6 | 41.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 773 | D | 27.8 | Very low | 29.3 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 155.5 | 175.6 | -62.7 | -76.2 | 0 | 0 | 0 | 113.1 | ||||
| 774 | I | 31.6 | Very low | 29 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | 171.1 | 120.4 | 122.2 | -88.1 | 160.3 | 0 | 0 | 0 | 112.1 | |||||
| 775 | L | 29.4 | Very low | 28.8 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | 67.1 | 148.2 | 149.5 | -151.3 | 65.5 | 0 | 0 | 0 | 121.6 | ||||
| 776 | Q | 27.8 | Very low | 28.5 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 51% | 0.509 | 78% | 0.781 | S | S | . | * | trans | -73.1 | 135.9 | -178.8 | -58.2 | 172 | -1.8 | 0 | 0 | 113 | P982 | Q776-P982 PolarHBondContact NE2-O 3.42Š| ||
| 777 | K | 30.3 | Very low | 28.3 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -152.7 | 113.3 | 148.6 | -123.4 | 173.9 | -174.1 | 176.5 | 0 | 111.8 | ||||
| 778 | K | 24.7 | Very low | 28.1 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -87.8 | 130.3 | 173.6 | -162.1 | 179.8 | -169.6 | 179.4 | 0 | 108.7 | ||||
| 779 | P | 29 | Very low | 28 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 164.1 | 135.6 | 36.3 | -25.1 | 0 | 0 | 0 | 113.1 | ||||
| 780 | T | 23.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 144 Ų | 144 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 144.1 | 169.3 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 781 | M | 26.8 | Very low | 27.8 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -153.1 | 153.6 | 139 | -116.8 | -175.9 | 89.8 | 0 | 0 | 113 | ||||
| 782 | S | 23.2 | Very low | 27.8 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -99.1 | -175.5 | 173.7 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 783 | S | 24.5 | Very low | 27.8 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | 88 | 119.9 | 162.7 | 75.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 784 | V | 23.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | 40.7 | 117.7 | 127.4 | -173.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 785 | Y | 27.8 | Very low | 27.8 | Very low | 223 Ų | 223 | 141 Ų | 141 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | -129.5 | 121.8 | 140.3 | -85.2 | -80.4 | 0 | 0 | 0 | 111.1 | ||||
| 786 | L | 23.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -94.2 | 137.4 | 157.2 | -130.4 | 93.1 | 0 | 0 | 0 | 106.8 | ||||
| 787 | C | 28.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -130.9 | 130.5 | 160.5 | -70.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 788 | D | 24.7 | Very low | 27.8 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -111.6 | 143 | -179.7 | -166 | -3.5 | 0 | 0 | 0 | 108.6 | ||||
| 789 | S | 32.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -155.7 | 131.3 | 176.8 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 790 | H | 29.3 | Very low | 27.5 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -94.8 | 167.7 | -150.7 | -123.4 | -103.9 | 0 | 0 | 0 | 115.3 | ||||
| 791 | Q | 32.2 | Very low | 27.6 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 71.5 | 145.8 | 162.3 | -62.4 | 168.4 | -92 | 0 | 0 | 116.9 | ||||
| 792 | Q | 31.9 | Very low | 27.5 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | cis | -167.5 | 162.9 | -9.8 | -114.7 | 179.6 | -74.5 | 0 | 0 | 108.2 | ||||
| 793 | D | 31.6 | Very low | 27.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -158.5 | 161.5 | -8.1 | -150.1 | -24.7 | 0 | 0 | 0 | 110.7 | ||||
| 794 | G | 31.2 | Very low | 27.8 | Very low | 60 Ų | 60 | 138.4 Ų | 138.4 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | 70.8 | 153.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 795 | V | 29.2 | Very low | 28 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | cis | -147.8 | 134.1 | -15.1 | 178.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 796 | P | 28.3 | Very low | 28 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -102.8 | 138.2 | 179.5 | 36.4 | -31 | 0 | 0 | 0 | 114 | ||||
| 797 | I | 31 | Very low | 28.3 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | trans | -136.3 | 151.7 | 168.6 | -63.3 | -174.3 | 0 | 0 | 0 | 110.8 | ||||
| 798 | S | 26.8 | Very low | 28.5 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -104.5 | 150.8 | -158.7 | 58.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 799 | S | 24.2 | Very low | 28.5 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | 35 | 139.4 | 138.8 | 72.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 800 | K | 24 | Very low | 28.4 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | 70.1 | 118 | 161.6 | -62.7 | 177.3 | 176.3 | 176.6 | 0 | 117.3 | ||||
| 801 | C | 25.4 | Very low | 28.4 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | -159 | 170.8 | 102.8 | -125.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 802 | I | 24.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -107.7 | 167.7 | 174.1 | -65.1 | 167.3 | 0 | 0 | 0 | 107.8 | ||||
| 803 | I | 29.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 125.8 | 95.6 | 171.2 | -70.8 | 157.7 | 0 | 0 | 0 | 108.9 | ||||
| 804 | T | 24.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 57.5 | 119.2 | 78.4 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 805 | G | 27.2 | Very low | 28.1 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -175.4 | 4.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 806 | L | 27.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 60 | -169.6 | 163.1 | -121.5 | 74.9 | 0 | 0 | 0 | 116.5 | ||||
| 807 | P | 31 | Very low | 28.1 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -125.6 | 166.7 | -134.3 | 42 | -24 | 0 | 0 | 0 | 116.6 | ||||
| 808 | I | 31.3 | Very low | 28.1 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -132.5 | 122.8 | 162 | -59.4 | -178.7 | 0 | 0 | 0 | 109.7 | ||||
| 809 | T | 26.2 | Very low | 28 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -98.8 | 148.9 | 169.7 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 810 | S | 29.1 | Very low | 28.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | 161.1 | 150.8 | 121.4 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 811 | N | 30.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 137.9 | 157.8 | -58.5 | -41.9 | 0 | 0 | 0 | 117.6 | ||||
| 812 | K | 30.5 | Very low | 28.4 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | cis | -149.1 | 148.5 | 10.1 | -127.2 | 168.7 | -174.4 | 178.4 | 0 | 110.6 | ||||
| 813 | P | 31.9 | Very low | 28.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -100.7 | 166.8 | -178.8 | 39 | -35.3 | 0 | 0 | 0 | 114 | ||||
| 814 | C | 28.6 | Very low | 28.3 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | trans | -148 | 142.8 | 156 | -118.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 815 | A | 29.4 | Very low | 28.4 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -152 | 151.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 816 | K | 29.5 | Very low | 28.3 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 168.1 | 148.5 | 160.6 | -98.9 | 165.8 | -176.7 | -176.9 | 0 | 108 | ||||
| 817 | C | 28.1 | Very low | 28.3 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | -142.2 | 164.9 | 10.2 | -98 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 818 | F | 30.5 | Very low | 28.1 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | trans | -10 | 149.3 | 156.4 | -54.4 | -97 | 0 | 0 | 0 | 119.6 | ||||
| 819 | G | 25.4 | Very low | 27.8 | Very low | 63 Ų | 63 | 144.8 Ų | 144.8 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | 99.5 | 110.2 | -9.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 820 | E | 30.4 | Very low | 27.8 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -167.7 | 167.6 | 145.9 | -117.8 | 170.4 | -158 | 0 | 0 | 112.9 | ||||
| 821 | N | 24 | Very low | 27.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -117.7 | 153 | -172.8 | -73.9 | -68.3 | 0 | 0 | 0 | 112.6 | ||||
| 822 | C | 27.4 | Very low | 27.5 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 145.9 | 151.7 | -118.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 823 | R | 23.4 | Very low | 27.3 | Very low | 221 Ų | 221 | 142.3 Ų | 142.3 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -99.5 | 149.2 | 172.1 | -73.7 | 171.6 | 162.9 | 171.4 | -6.2 | 109.3 | ||||
| 824 | H | 28.9 | Very low | 27 | Very low | 156 Ų | 156 | 142 Ų | 142 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 177.7 | 147 | 106.9 | -101 | -76.3 | 0 | 0 | 0 | 115 | |||||
| 825 | N | 26.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | 56.1 | 116.5 | 148.3 | -63.8 | 5 | 0 | 0 | 0 | 123.3 | ||||
| 826 | F | 24.7 | Very low | 26.7 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | 38 | 114.6 | 126.3 | -66.6 | -85.1 | 0 | 0 | 0 | 120.5 | |||||
| 827 | N | 28.6 | Very low | 26.6 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | -163.7 | 173.2 | 92.3 | -100.3 | -26.2 | 0 | 0 | 0 | 112.5 | |||||
| 828 | I | 25 | Very low | 26.4 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | trans | -115.8 | 128.4 | -167.8 | -61.7 | 163.4 | 0 | 0 | 0 | 110.7 | ||||
| 829 | C | 25 | Very low | 26.2 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -165.7 | 164.6 | 144.8 | -109.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 830 | P | 26.8 | Very low | 26.2 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -86.1 | 159.6 | -155.7 | 34.5 | -37.2 | 0 | 0 | 0 | 114 | ||||
| 831 | N | 28 | Very low | 25.9 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | trans | -130.7 | 103.1 | 179.9 | -151.1 | 53.2 | 0 | 0 | 0 | 110.2 | S833 | N831-S833 PolarHBondContact ND2-OG 3.43Š| ||
| 832 | E | 24.8 | Very low | 26.1 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -74.6 | 119 | 156.8 | -65.6 | -176.3 | 135.8 | 0 | 0 | 107.6 | ||||
| 833 | S | 26.8 | Very low | 26.1 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | trans | -173 | 130.9 | 155.9 | 22 | 0 | 0 | 0 | 0 | 113.2 | N831 Q835 | N831-S833 PolarHBondContact ND2-OG 3.43Å; S833-Q835 PolarHBondContact O-N 3.17Å | ||
| 834 | S | 25.4 | Very low | 26.3 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -62.7 | 115.8 | 166.9 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 835 | Q | 27.2 | Very low | 26.2 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -97.6 | 103.6 | 171.2 | -70 | -165 | -8 | 0 | 0 | 112 | S833 M837 | S833-Q835 PolarHBondContact O-N 3.17Å; Q835-M837 PolarHBondContact O-N 2.04Å | ||
| 836 | Y | 25 | Very low | 26.1 | Very low | 214 Ų | 214 | 141 Ų | 141 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 109.8 | 157.9 | -83.3 | -100.2 | 0 | 0 | 0 | 108.9 | T838 | Y836-T838 PolarHBondContact O-N 3.28Š| ||
| 837 | M | 26.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | trans | -83.8 | 92 | 170.9 | -89.2 | -173.4 | 158.5 | 0 | 0 | 111.4 | Q835 Y839 | Q835-M837 PolarHBondContact O-N 2.04Å; M837-Y839 HydrophobicContact CB-CD2 4.2Å; M837-Y839 HydrophobicContact CB-CE2 4.04Å; M837-Y839 HydrophobicContact CG-CE2 4.25Å; M837-Y839 PolarHBondContact O-N 3Å; M837-Y839 HydrophobicContact SD-CE2 3.65Å | ||
| 838 | T | 23.9 | Very low | 26 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 105.5 | 161.2 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | Y836 | Y836-T838 PolarHBondContact O-N 3.28Š| ||
| 839 | Y | 27.4 | Very low | 26.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 132.1 | 168.4 | -86.4 | -77 | 0 | 0 | 0 | 111.2 | M837 | M837-Y839 HydrophobicContact CB-CD2 4.2Å; M837-Y839 HydrophobicContact CB-CE2 4.04Å; M837-Y839 HydrophobicContact CG-CE2 4.25Å; M837-Y839 PolarHBondContact O-N 3Å; M837-Y839 HydrophobicContact SD-CE2 3.65Å |
| 840 | N | 25.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 140.8 | -174.7 | -68.6 | -48.7 | 0 | 0 | 0 | 112.7 | ||
| 841 | L | 24.6 | Very low | 26.2 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 132.9 | 176.3 | -169.2 | 78.6 | 0 | 0 | 0 | 111.1 | T843 | L841-T843 PolarHBondContact O-N 3.06Š|
| 842 | P | 28.1 | Very low | 26.3 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.1 | 163.5 | -14.8 | 30.1 | 0 | 0 | 0 | 110.2 | ||
| 843 | T | 27.1 | Very low | 26.3 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.3 | -174 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | L841 | L841-T843 PolarHBondContact O-N 3.06Š|
| 844 | L | 28.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -139 | 151 | 148.9 | -107.5 | 166.1 | 0 | 0 | 0 | 109.8 | ||||
| 845 | L | 25.4 | Very low | 26.6 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -80.7 | 141.3 | -159 | -80.8 | 63 | 0 | 0 | 0 | 114.1 | ||||
| 846 | G | 24.4 | Very low | 26.4 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 161.7 | 116.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 847 | S | 28.4 | Very low | 26.6 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 52.4 | 112.8 | 166.9 | 44.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 848 | S | 23.4 | Very low | 26.4 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -76.2 | 138.4 | 173.3 | 44.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 849 | V | 27.6 | Very low | 26.5 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -123 | 127.6 | 161 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 850 | T | 25.8 | Very low | 26.3 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.9 | -177.4 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 851 | L | 27.7 | Very low | 26.2 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 142 | 156.8 | -70.8 | 167 | 0 | 0 | 0 | 109.2 | K853 | L851-K853 PolarHBondContact O-N 2.69Š|
| 852 | P | 30.4 | Very low | 26.2 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.8 | 171.4 | 28.2 | -32.5 | 0 | 0 | 0 | 110 | ||
| 853 | K | 24.6 | Very low | 25.9 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.6 | 158.9 | -73.2 | -178.4 | 170.5 | -170.5 | 0 | 109 | L851 | L851-K853 PolarHBondContact O-N 2.69Š|
| 854 | W | 29.5 | Very low | 25.9 | Very low | 260 Ų | 260 | 150.4 Ų | 150.4 | 99% | 0.985 | 81% | 0.814 | S | S | * | * | trans | -131.7 | 154.2 | 142.8 | -93.2 | -6.4 | 0 | 0 | 0 | 110 | ||||
| 855 | D | 28.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -103.6 | 157.7 | -151.5 | -76.7 | -63.3 | 0 | 0 | 0 | 115.1 | ||||
| 856 | N | 24.1 | Very low | 25.7 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -62.7 | 139.5 | 170.2 | -64.4 | -41.1 | 0 | 0 | 0 | 111.4 | ||||
| 857 | K | 27.7 | Very low | 25.8 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -121.8 | 115.3 | 149.9 | -97.1 | -173.4 | 173.7 | -179.4 | 0 | 110.5 | ||||
| 858 | V | 23 | Very low | 25.5 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -79.8 | 139.2 | 174.1 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 859 | V | 25.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 153 Ų | 153 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -130.1 | 136.2 | 152.6 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 860 | Q | 23.7 | Very low | 25.4 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 136.8 | -178.6 | -84.7 | 166.8 | -106.5 | 0 | 0 | 110.7 | ||||
| 861 | L | 22.7 | Very low | 25.4 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | 45.5 | 114.9 | 98.3 | -76.5 | 167.3 | 0 | 0 | 0 | 113.4 | M863 | L861-M863 HydrophobicContact CD2-CG 4.47Š| |||
| 862 | D | 24.2 | Very low | 25.3 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | -140.9 | 163 | 97.7 | -130.8 | -26.8 | 0 | 0 | 0 | 111.7 | |||||
| 863 | M | 23.3 | Very low | 25 | Very low | 154 Ų | 154 | 151 Ų | 151 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 102.6 | -172.9 | -87.9 | -91.6 | -67.4 | 0 | 0 | 111.5 | L861 | L861-M863 HydrophobicContact CD2-CG 4.47Š| ||
| 864 | D | 26 | Very low | 25.2 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | trans | -163.9 | 143.2 | 162.4 | -97.3 | -35.4 | 0 | 0 | 0 | 108.4 | ||||
| 865 | G | 27.6 | Very low | 25.2 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -170 | 142.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 866 | F | 22.7 | Very low | 25.3 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 129.3 | 174.1 | -104.1 | -96.9 | 0 | 0 | 0 | 110.2 | ||||
| 867 | N | 26 | Very low | 25.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -166.4 | 151.7 | 140.2 | -102.6 | -35.9 | 0 | 0 | 0 | 115 | ||||
| 868 | C | 22.6 | Very low | 25.6 | Very low | 102 Ų | 102 | 138 Ų | 138 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | trans | 22.7 | 123.2 | 150.3 | -58.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 869 | M | 23.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | 49.5 | 151.6 | 119.4 | -68.2 | -171.1 | 162 | 0 | 0 | 122.6 | |||||
| 870 | D | 25.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 112.3 | 158.6 | -58.2 | -25.2 | 0 | 0 | 0 | 120.1 | ||||
| 871 | A | 25.1 | Very low | 26.4 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 72.3 | 126.7 | 127.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 872 | S | 24.6 | Very low | 26.8 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | 67.6 | 116.8 | 133.6 | 58.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 873 | E | 26 | Very low | 27 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | 91.3 | 130.2 | 121.6 | -74.4 | 175.8 | -158.4 | 0 | 0 | 122.9 | |||||
| 874 | H | 28.6 | Very low | 27.4 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | 55.3 | 138.9 | 140.5 | -58.6 | -40.2 | 0 | 0 | 0 | 120.5 | ||||
| 875 | S | 29.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | -159 | -179.5 | 1.8 | 59 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 876 | A | 30.3 | Very low | 27.6 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -140.9 | -145.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 877 | T | 30.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | cis | -167.8 | 152.8 | -3.3 | 8.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 878 | E | 26.7 | Very low | 27.8 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | -160.2 | -175.9 | -7.5 | -165.4 | 161.1 | -162.6 | 0 | 0 | 106.9 | ||||
| 879 | C | 28.9 | Very low | 28 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | trans | 76.4 | 89.7 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 880 | D | 30.7 | Very low | 28 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | 38.5 | 129 | 124.1 | -37 | -34.3 | 0 | 0 | 0 | 119.7 | |||||
| 881 | G | 29.9 | Very low | 28 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -178 | -170.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 882 | E | 31 | Very low | 28 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | cis | -128.3 | -118.9 | 1.3 | -65.3 | -176.9 | 73.3 | 0 | 0 | 111.1 | ||||
| 883 | Q | 27.9 | Very low | 28 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -145.5 | 144.1 | -168.6 | -63.2 | 173.7 | -10.3 | 0 | 0 | 114.6 | ||||
| 884 | S | 32 | Very low | 27.9 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | -172.2 | 148 | 127.2 | 36.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 885 | H | 27.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 151.6 | -172.1 | -64.8 | -100.2 | 0 | 0 | 0 | 112.6 | ||||
| 886 | A | 30.5 | Very low | 27.7 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | 164.8 | 143.6 | 105 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 887 | N | 28.3 | Very low | 27.4 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 46.1 | 100.9 | 149.9 | -64.4 | -1.2 | 0 | 0 | 0 | 121.2 | ||||
| 888 | T | 24.5 | Very low | 27.1 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 11.8 | 115.9 | 124 | 55.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 889 | N | 26.6 | Very low | 27 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -166.2 | 163.8 | 120.7 | -104.5 | -39.1 | 0 | 0 | 0 | 111.9 | H891 | N889-H891 PolarHBondContact O-N 2.98Š| |||
| 890 | H | 24 | Very low | 26.6 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -62.4 | 131.5 | 174.3 | -72.9 | -64.6 | 0 | 0 | 0 | 111.8 | ||||
| 891 | H | 25.7 | Very low | 26.5 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -156.2 | 123.6 | 137.8 | -116 | -77.4 | 0 | 0 | 0 | 111.4 | N889 | N889-H891 PolarHBondContact O-N 2.98Š| ||
| 892 | Y | 23.9 | Very low | 26.1 | Very low | 234 Ų | 234 | 159.1 Ų | 159.1 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 130.6 | 154.5 | -96.3 | -103.2 | 0 | 0 | 0 | 107.4 | ||||
| 893 | L | 25.7 | Very low | 26 | Very low | 137 Ų | 137 | 159 Ų | 159 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | trans | -141.9 | 140 | 166.6 | -134.4 | 87.4 | 0 | 0 | 0 | 108.9 | ||||
| 894 | C | 22.1 | Very low | 25.8 | Very low | 121 Ų | 121 | 159.3 Ų | 159.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -78.9 | 145.7 | 167.5 | -67.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 895 | H | 27 | Very low | 25.4 | Very low | 180 Ų | 180 | 162.5 Ų | 162.5 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | trans | -132.1 | 141.2 | 155.7 | -116.9 | -83.6 | 0 | 0 | 0 | 110.7 | ||||
| 896 | Q | 26.5 | Very low | 25.4 | Very low | 155 Ų | 155 | 162.8 Ų | 162.8 | 72% | 0.724 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 155.8 | -172.8 | -68.2 | 169.6 | -70.2 | 0 | 0 | 112.4 | ||||
| 897 | Q | 24.9 | Very low | 25.1 | Very low | 159 Ų | 159 | 165.7 Ų | 165.7 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | 38 | 107.9 | 137.9 | -60.4 | 170.5 | -27.6 | 0 | 0 | 117.8 | ||||
| 898 | Q | 24.2 | Very low | 24.9 | Very low | 191 Ų | 191 | 164.7 Ų | 164.7 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | 171.9 | 109.5 | 102.3 | -91.5 | 179.3 | 21.8 | 0 | 0 | 111.8 | |||||
| 899 | S | 24.4 | Very low | 24.9 | Very low | 116 Ų | 116 | 166.3 Ų | 166.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 83 | 157.6 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 900 | L | 22.1 | Very low | 25 | Very low | 161 Ų | 161 | 168 Ų | 168 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 143.6 | 147.8 | -151.2 | 81.7 | 0 | 0 | 0 | 106.3 | ||||
| 901 | P | 27.1 | Very low | 25 | Very low | 117 Ų | 117 | 167.3 Ų | 167.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | -139.1 | 155.5 | 113.7 | 36.2 | -25 | 0 | 0 | 0 | 114.9 | |||||
| 902 | R | 23 | Very low | 25.1 | Very low | 229 Ų | 229 | 167.9 Ų | 167.9 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -45.1 | 145.1 | 168.2 | -58 | 156.2 | 169.4 | 159.1 | -6.2 | 113 | ||||
| 903 | Q | 27 | Very low | 25 | Very low | 195 Ų | 195 | 161.7 Ų | 161.7 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | -147.7 | 107.6 | 126.1 | -118.3 | 174.2 | 3.8 | 0 | 0 | 111.4 | |||||
| 904 | Q | 24.4 | Very low | 25.1 | Very low | 182 Ų | 182 | 161.8 Ų | 161.8 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -111 | 150.8 | 156.7 | -77.6 | 179.3 | -57 | 0 | 0 | 107.2 | ||||
| 905 | Q | 24.4 | Very low | 25.3 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | 63.4 | 84.2 | 166.2 | -62.9 | 177.8 | -27.8 | 0 | 0 | 118.3 | ||||
| 906 | Q | 27.5 | Very low | 25.1 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -166.2 | 100.6 | 136.3 | -107 | 167.4 | -0.7 | 0 | 0 | 106.6 | ||||
| 907 | L | 24.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 162 Ų | 162 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | 83.1 | 101.4 | 59.7 | -159.7 | 89.3 | 0 | 0 | 0 | 113.4 | |||||
| 908 | N | 22.7 | Very low | 24.8 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 68% | 0.679 | 83% | 0.832 | S | S | * | * | trans | 76.4 | 133.6 | 158 | -68.3 | -0.3 | 0 | 0 | 0 | 122.2 | ||||
| 909 | H | 25.3 | Very low | 24.8 | Very low | 157 Ų | 157 | 158.7 Ų | 158.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | 56.6 | 98.4 | 155 | -61.3 | -56.8 | 0 | 0 | 0 | 120.5 | ||||
| 910 | Q | 27.8 | Very low | 24.8 | Very low | 200 Ų | 200 | 158 Ų | 158 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | -146.7 | 141.9 | 104 | -112.9 | 173.5 | -1.5 | 0 | 0 | 111.1 | |||||
| 911 | Q | 24 | Very low | 25 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | trans | -94.9 | 138.5 | 176.8 | -68.5 | 160.7 | -92.2 | 0 | 0 | 109.7 | ||||
| 912 | N | 28.4 | Very low | 25.1 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | -157.7 | 150 | 140.7 | -98.9 | -32.9 | 0 | 0 | 0 | 110.1 | ||||
| 913 | S | 22.7 | Very low | 25.3 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -97.5 | 142.1 | -163.5 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 914 | V | 27.7 | Very low | 25.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -147.4 | 124.3 | 130.1 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 915 | N | 24.9 | Very low | 25.5 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -1.8 | 125.4 | 166.3 | -53.5 | -11.5 | 0 | 0 | 0 | 121.5 | ||||
| 916 | E | 23.2 | Very low | 25.7 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 164.2 | 145.4 | -61.1 | 178.7 | 130.4 | 0 | 0 | 110.9 | ||||
| 917 | S | 23.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -151 | 88.8 | 162.9 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 918 | C | 22.2 | Very low | 25.8 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 86% | 0.858 | 75% | 0.748 | S | S | * | * | trans | -90 | 152.8 | 159.9 | -67.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 919 | I | 24.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -137.1 | 123.8 | 165.6 | -63.1 | -177.6 | 0 | 0 | 0 | 109.1 | F921 | I919-F921 HydrophobicContact CG2-CD2 3.74Å; I919-F921 HydrophobicContact CG2-CE2 3.73Å | ||
| 920 | S | 23.6 | Very low | 26.6 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -125 | 136.2 | 170.9 | 56 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 921 | F | 26.7 | Very low | 26.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | trans | -83.9 | 99.3 | 174.4 | -56.3 | -79.7 | 0 | 0 | 0 | 118.4 | I919 K963 | I919-F921 HydrophobicContact CG2-CD2 3.74Å; I919-F921 HydrophobicContact CG2-CE2 3.73Å; F921-K963 HydrophobicContact CE1-CD 4.08Å; F921-K963 HydrophobicContact CZ-CD 4.03Å | ||
| 922 | C | 28.1 | Very low | 27.2 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | trans | 66.3 | 92.4 | 152.2 | -52.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 923 | D | 26.9 | Very low | 27.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | 53.2 | 170.7 | 108.7 | -51.8 | -53.5 | 0 | 0 | 0 | 125 | |||||
| 924 | C | 23.2 | Very low | 27.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | trans | -122.8 | -138 | -155.2 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 925 | P | 32.8 | Very low | 28 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 47% | 0.474 | 73% | 0.728 | S | S | . | * | cis | -139.8 | -170 | -22.9 | 25.3 | 2.1 | 0 | 0 | 0 | 117.1 | ||||
| 926 | Y | 28.3 | Very low | 28.2 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | 72.7 | 129.8 | 170.5 | -59.5 | -81.6 | 0 | 0 | 0 | 118 | ||||
| 927 | S | 24.9 | Very low | 28.4 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | 85.6 | 144.6 | 42.3 | 94.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 928 | M | 30.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | cis | -141.9 | 172.2 | 28.6 | -61.2 | -71.7 | -123.7 | 0 | 0 | 114 | ||||
| 929 | E | 30.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 59.6 | 141.2 | 141.7 | -80 | 159 | -154.2 | 0 | 0 | 121.3 | ||||
| 930 | D | 32.4 | Very low | 29 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | cis | -159.2 | 171.4 | -5.1 | -161.1 | 10.2 | 0 | 0 | 0 | 112.8 | ||||
| 931 | N | 31.6 | Very low | 29.2 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | trans | 76.3 | 98 | 158.1 | -77.3 | -62.1 | 0 | 0 | 0 | 122.8 | ||||
| 932 | T | 33 | Very low | 29.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | 95.8 | 125.3 | 129.5 | 69.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 933 | R | 31.9 | Very low | 29.1 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | 90.1 | 84.6 | 145.7 | -147.4 | 164.9 | -163.2 | 167.3 | 5.1 | 119.6 | ||||
| 934 | T | 32.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | 37.9 | 124.6 | 124 | 58.6 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 935 | D | 31 | Very low | 29.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | cis | -156.6 | 168 | 21.4 | -86.2 | -40 | 0 | 0 | 0 | 115 | ||||
| 936 | S | 30.8 | Very low | 28.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 60.1 | 105.3 | 155 | 57.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 937 | A | 26 | Very low | 28.6 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -60.7 | 147.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 938 | S | 29 | Very low | 28.6 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -169.8 | 149.1 | 115.8 | 38.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 939 | C | 25.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.7 | -173.9 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | N941 | C939-N941 PolarHBondContact O-N 3.49Š|
| 940 | L | 29.5 | Very low | 28.2 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 127.3 | -179.3 | -96.3 | 158.5 | 0 | 0 | 0 | 112 | S942 | L940-S942 PolarHBondContact O-N 3.13Š|
| 941 | N | 26.3 | Very low | 27.9 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 49% | 0.487 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 124.6 | 178.1 | -165 | -12.5 | 0 | 0 | 0 | 110.6 | E621 C939 | E621-N941 PolarHBondContact OE1-ND2 3.48Å; E621-N941 PolarHBondContact OE2-ND2 3.06Å; C939-N941 PolarHBondContact O-N 3.49Å |
| 942 | S | 28.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -129.5 | 74.2 | -177.6 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | L940 K944 | L940-S942 PolarHBondContact O-N 3.13Å; S942-K944 VanDerWaalsContact C-N 3.29Å; S942-K944 PolarHBondContact O-N 3.25Å | ||
| 943 | N | 25.2 | Very low | 27.5 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -65 | 85.2 | 170.3 | -83.3 | -42.4 | 0 | 0 | 0 | 111.4 | ||||
| 944 | K | 27.5 | Very low | 27.3 | Very low | 179 Ų | 179 | 135 Ų | 135 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | -149.9 | 112.4 | 175.1 | -113.2 | -172.6 | 179.5 | 179.8 | 0 | 111.8 | S942 | S942-K944 VanDerWaalsContact C-N 3.29Å; S942-K944 PolarHBondContact O-N 3.25Å | ||
| 945 | L | 25.2 | Very low | 27 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 58.4 | 134.8 | 159 | -66.7 | 132.4 | 0 | 0 | 0 | 118.4 | F947 | L945-F947 HydrophobicContact CD2-CD2 4.33Š| ||
| 946 | L | 24.5 | Very low | 26.9 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | -155.6 | 102.1 | 127.2 | -112.6 | 159.5 | 0 | 0 | 0 | 110.8 | C948 | L946-C948 PolarHBondContact O-N 3.24Š| |||
| 947 | F | 23.8 | Very low | 26.6 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 102.5 | 164.5 | -90.5 | -85.2 | 0 | 0 | 0 | 108.5 | L945 N949 P1004 | L945-F947 HydrophobicContact CD2-CD2 4.33Å; F947-N949 PolarHBondContact O-N 3.09Å; F947-N949 VanDerWaalsContact O-N 3.07Å; F947-P1004 HydrophobicContact CD1-CB 4.31Å; F947-P1004 HydrophobicContact CD1-CG 4.05Å; F947-P1004 HydrophobicContact CD2-CG 4.22Å; F947-P1004 HydrophobicContact CE1-CB 3.52Å; F947-P1004 HydrophobicContact CE1-CG 3.74Å; F947-P1004 HydrophobicContact CE2-CB 4.08Å; F947-P1004 HydrophobicContact CE2-CG 3.92Å; F947-P1004 HydrophobicContact CG-CG 4.29Å; F947-P1004 HydrophobicContact CZ-CB 3.4Å; F947-P1004 HydrophobicContact CZ-CG 3.69Å | ||
| 948 | C | 25.2 | Very low | 26.6 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 93.1 | 176.3 | -66.6 | 0 | 0 | 0 | 0 | 111 | L946 N950 | L946-C948 PolarHBondContact O-N 3.24Å; C948-N950 PolarHBondContact O-N 3.23Å | ||
| 949 | N | 26.4 | Very low | 26.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -69.7 | 92.5 | 168.9 | -104.5 | -2.5 | 0 | 0 | 0 | 110.2 | F947 H951 | F947-N949 PolarHBondContact O-N 3.09Å; F947-N949 VanDerWaalsContact O-N 3.07Å; N949-H951 PolarHBondContact O-N 3.02Å | ||
| 950 | N | 26.1 | Very low | 26.2 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 77.8 | 170.5 | -88.2 | -7.6 | 0 | 0 | 0 | 110.7 | C948 | C948-N950 PolarHBondContact O-N 3.23Š| ||
| 951 | H | 26.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | trans | -123.2 | 53 | -175.2 | -148.9 | -57.8 | 0 | 0 | 0 | 113.4 | N949 | N949-H951 PolarHBondContact O-N 3.02Š| ||
| 952 | L | 27.8 | Very low | 26.2 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -151.1 | 102.9 | 171.9 | -111.5 | 162.8 | 0 | 0 | 0 | 110.5 | ||||
| 953 | N | 28 | Very low | 25.9 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -148 | 57.5 | 167.8 | -150.8 | -5 | 0 | 0 | 0 | 112.5 | G955 | N953-G955 VanDerWaalsContact C-N 3.28Å; N953-G955 PolarHBondContact O-N 3.15Å | ||
| 954 | T | 27.6 | Very low | 26.2 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -94.4 | 43.3 | 169.7 | 39 | 0 | 0 | 0 | 0 | 111.3 | R956 | T954-R956 PolarHBondContact O-N 3.25Å; T954-R956 VanDerWaalsContact O-N 3.11Å | ||
| 955 | G | 26.7 | Very low | 26.3 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -75.3 | 93.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N953 | N953-G955 VanDerWaalsContact C-N 3.28Å; N953-G955 PolarHBondContact O-N 3.15Å | ||
| 956 | R | 28 | Very low | 26.4 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -70.5 | 138.7 | 156.9 | -86 | -175.3 | 174.4 | 165.8 | 0.6 | 109.1 | T954 C958 | T954-R956 PolarHBondContact O-N 3.25Å; T954-R956 VanDerWaalsContact O-N 3.11Å; R956-C958 PolarHBondContact O-N 3.5Å | ||
| 957 | N | 24.4 | Very low | 26.9 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -54.2 | 123.2 | 178.2 | -71.5 | -19.4 | 0 | 0 | 0 | 112.6 | ||||
| 958 | C | 25.8 | Very low | 27.3 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 91% | 0.912 | 76% | 0.763 | S | S | * | * | trans | -143.4 | 135.7 | 147.5 | -90.9 | 0 | 0 | 0 | 0 | 108.1 | R956 | R956-C958 PolarHBondContact O-N 3.5Š| ||
| 959 | S | 22.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -102.2 | 150.4 | -170.1 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 960 | S | 24.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 79.1 | 156.9 | 158.7 | 81.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 961 | I | 26.1 | Very low | 28 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 82.9 | 99 | 161.8 | -56 | 162.5 | 0 | 0 | 0 | 118.6 | ||||
| 962 | R | 28.4 | Very low | 28.4 | Very low | 242 Ų | 242 | 142.4 Ų | 142.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | 39.4 | 132 | 135 | -60.2 | 179.9 | 176.5 | 167.7 | -1.4 | 122.3 | ||||
| 963 | K | 24 | Very low | 28.7 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -63.5 | 166.1 | 158.2 | -72.5 | -173.8 | 175.8 | -171.4 | 0 | 111.7 | F921 | F921-K963 HydrophobicContact CE1-CD 4.08Å; F921-K963 HydrophobicContact CZ-CD 4.03Å | ||
| 964 | P | 31.6 | Very low | 28.8 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -151.9 | 176.5 | 37.9 | 44 | -22.2 | 0 | 0 | 0 | 120.8 | ||||
| 965 | T | 29.5 | Very low | 29 | Very low | 101 Ų | 101 | 143 Ų | 143 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 52.5 | 127.8 | 146.2 | 51 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 966 | D | 27.4 | Very low | 29.2 | Very low | 110 Ų | 110 | 147 Ų | 147 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | 63.5 | 102.5 | 131.7 | -55.9 | 6.1 | 0 | 0 | 0 | 123.4 | ||||
| 967 | I | 34.2 | Very low | 29 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -143.5 | 137.1 | 138 | -60.8 | -173.3 | 0 | 0 | 0 | 109.2 | ||||
| 968 | N | 32.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | trans | -83.5 | 149.3 | 178.6 | -104.8 | -37.3 | 0 | 0 | 0 | 113.8 | ||||
| 969 | Y | 30.5 | Very low | 29 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -133.5 | 156.4 | 164.7 | -100.4 | -96.7 | 0 | 0 | 0 | 111.6 | ||||
| 970 | S | 32.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | -88 | 154 | -159.5 | 86.8 | 0 | 0 | 0 | 0 | 115.9 | N972 | S970-N972 PolarHBondContact O-N 2.95Š| ||
| 971 | K | 29.5 | Very low | 29.4 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -3.6 | -168.8 | -155.5 | 169.1 | -176.5 | 173.9 | 0 | 116.2 | ||
| 972 | N | 34.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -11 | -175.7 | -81.1 | -5.5 | 0 | 0 | 0 | 115.2 | S970 | S970-N972 PolarHBondContact O-N 2.95Š|
| 973 | E | 33.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 61% | 0.612 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -84.6 | -18 | 177.4 | -66.9 | -173.8 | 120.2 | 0 | 0 | 113.3 | L975 | E973-L975 PolarHBondContact O-N 2.98Å; E973-L975 VanDerWaalsContact O-N 3.07Å |
| 974 | M | 31.4 | Very low | 29.4 | Very low | 166 Ų | 166 | 140 Ų | 140 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -67 | -7.4 | 179.4 | -70.6 | -164.2 | 75.8 | 0 | 0 | 115 | ||
| 975 | L | 30.8 | Very low | 29.2 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -93.9 | -5.8 | -174.1 | -145.3 | 70.5 | 0 | 0 | 0 | 114.9 | E973 | E973-L975 PolarHBondContact O-N 2.98Å; E973-L975 VanDerWaalsContact O-N 3.07Å |
| 976 | N | 30.1 | Very low | 29.1 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.4 | -7.3 | -176.7 | -84.6 | -26.8 | 0 | 0 | 0 | 115.6 | L978 | N976-L978 VanDerWaalsContact C-N 3.34Å; N976-L978 PolarHBondContact O-N 3.12Å |
| 977 | C | 25.7 | Very low | 29 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 8.4 | -175.7 | -66.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 978 | L | 25.5 | Very low | 28.6 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 18.2 | -176.5 | -106.1 | 167.1 | 0 | 0 | 0 | 114.9 | N976 | N976-L978 VanDerWaalsContact C-N 3.34Å; N976-L978 PolarHBondContact O-N 3.12Å |
| 979 | I | 24.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -132.4 | 97.2 | 166.3 | -53.2 | 178.4 | 0 | 0 | 0 | 108.8 | ||||
| 980 | I | 26.8 | Very low | 28.1 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | -117.3 | 111.6 | 168.9 | -62.2 | -178.1 | 0 | 0 | 0 | 108.6 | ||||
| 981 | T | 26.9 | Very low | 27.9 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 47% | 0.472 | 75% | 0.748 | S | S | . | * | trans | -73.3 | 154.2 | 169.1 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | Q983 | T981-Q983 PolarHBondContact O-N 3.11Š| ||
| 982 | P | 24.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 143 Ų | 143 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -67.8 | 121.5 | 176.2 | 28 | -33 | 0 | 0 | 0 | 110.1 | Q776 | Q776-P982 PolarHBondContact NE2-O 3.42Š| ||
| 983 | Q | 28.6 | Very low | 27.5 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -117.6 | 158.6 | 163.5 | -77.5 | -158.3 | -44.2 | 0 | 0 | 110.7 | T981 | T981-Q983 PolarHBondContact O-N 3.11Š| ||
| 984 | Q | 26.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -90.7 | 178.9 | -172.3 | -66.5 | 159.4 | -89.5 | 0 | 0 | 111.5 | ||||
| 985 | Q | 26.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 76.5 | 139.6 | 173.4 | -62.4 | 158.3 | -61.1 | 0 | 0 | 114.4 | ||||
| 986 | D | 27.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | cis | -119.5 | 158.4 | 8.8 | -104 | -40.5 | 0 | 0 | 0 | 115.5 | ||||
| 987 | T | 25.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -82.4 | 117.3 | -173.1 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 988 | T | 25.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -166.9 | 166.2 | 143.3 | 9.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 989 | T | 28.4 | Very low | 27.3 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 83% | 0.828 | 71% | 0.712 | S | S | * | * | trans | 53 | 62.7 | 175.5 | 53.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 990 | F | 25.5 | Very low | 27.4 | Very low | 172 Ų | 172 | 131 Ų | 131 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | -101.6 | 162.7 | 154.2 | -103.2 | -98.5 | 0 | 0 | 0 | 111.1 | K48 | K48-F990 PolarHBondContact NZ-O 3.42Š| ||
| 991 | N | 27.3 | Very low | 27.6 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 47% | 0.471 | 71% | 0.706 | S | S | . | * | trans | 84.9 | 73.1 | 177.3 | -49.7 | 7.4 | 0 | 0 | 0 | 116.3 | K48 | K48-N991 HydrophobicContact CD-CB 3.84Š| ||
| 992 | E | 28 | Very low | 27.7 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | -149.7 | 82.5 | 122.7 | -144.6 | 169.4 | -156.8 | 0 | 0 | 110 | |||||
| 993 | V | 28.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | -107.7 | 89.1 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 994 | T | 31.5 | Very low | 27.7 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 50% | 0.497 | 71% | 0.707 | S | S | . | * | trans | -57.2 | 150 | 146.8 | 38.2 | 0 | 0 | 0 | 0 | 108.7 | N996 | T994-N996 PolarHBondContact O-N 3.44Š| ||
| 995 | P | 30.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -70.9 | 79.7 | 178.7 | 29.9 | -35.1 | 0 | 0 | 0 | 110.4 | I997 | P995-I997 PolarHBondContact O-N 3.43Š| ||
| 996 | N | 27.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | trans | -64.2 | 88.1 | 162.3 | -75.1 | -6.9 | 0 | 0 | 0 | 107.1 | T994 I998 | T994-N996 PolarHBondContact O-N 3.44Å; N996-I998 HydrophobicContact CB-CG1 4.43Å; N996-I998 PolarHBondContact O-N 2.94Å | ||
| 997 | I | 27.4 | Very low | 27.8 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -64 | 90.6 | 156.2 | -58.7 | 178.2 | 0 | 0 | 0 | 105 | P995 T999 | P995-I997 PolarHBondContact O-N 3.43Å; I997-T999 HydrophobicContact CG2-CG2 4.03Å; I997-T999 PolarHBondContact O-N 3.25Å | ||
| 998 | I | 26.2 | Very low | 28 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | trans | -64.4 | 90.5 | 165.1 | -61.2 | 174.6 | 0 | 0 | 0 | 105.1 | N996 T1000 | N996-I998 HydrophobicContact CB-CG1 4.43Å; N996-I998 PolarHBondContact O-N 2.94Å; I998-T1000 PolarHBondContact O-N 3.01Å; I998-T1000 VanDerWaalsContact O-N 3.07Å | ||
| 999 | T | 29.2 | Very low | 28.2 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | trans | -62.8 | 110.5 | 167.8 | 41 | 0 | 0 | 0 | 0 | 106.5 | I997 H1001 | I997-T999 HydrophobicContact CG2-CG2 4.03Å; I997-T999 PolarHBondContact O-N 3.25Å; T999-H1001 PolarHBondContact O-N 3.29Å | ||
| 1000 | T | 26.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -74.1 | 60.2 | -178.8 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | I998 | I998-T1000 PolarHBondContact O-N 3.01Å; I998-T1000 VanDerWaalsContact O-N 3.07Å |
| 1001 | H | 30.4 | Very low | 28.3 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 73% | 0.731 | 67% | 0.673 | S | S | * | * | trans | -132.6 | 18.8 | 178.8 | -73 | -56 | 0 | 0 | 0 | 112.4 | T999 L1003 | T999-H1001 PolarHBondContact O-N 3.29Å; H1001-L1003 PolarHBondContact O-N 2.81Å | ||
| 1002 | Q | 29.2 | Very low | 28.3 | Very low | 198 Ų | 198 | 127.3 Ų | 127.3 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | trans | -77.4 | 66.6 | 153.8 | -74 | -175.1 | -29.3 | 0 | 0 | 109.8 | ||||
| 1003 | L | 26.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 59% | 0.592 | 69% | 0.687 | S | S | * | * | trans | -117.9 | 120.7 | 166 | -93.3 | 167.6 | 0 | 0 | 0 | 107.4 | H1001 F1005 | H1001-L1003 PolarHBondContact O-N 2.81Å; L1003-F1005 VanDerWaalsContact C-N 3.3Å; L1003-F1005 HydrophobicContact CB-CD2 4.13Å; L1003-F1005 HydrophobicContact CB-CE2 3.86Å; L1003-F1005 HydrophobicContact CD1-CE2 4.37Å; L1003-F1005 PolarHBondContact O-N 2.96Å | ||
| 1004 | P | 27.6 | Very low | 28.3 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | trans | -76.7 | 82.6 | -176.4 | 31.4 | -34.8 | 0 | 0 | 0 | 110.5 | F947 S1006 | F947-P1004 HydrophobicContact CD1-CB 4.31Å; F947-P1004 HydrophobicContact CD1-CG 4.05Å; F947-P1004 HydrophobicContact CD2-CG 4.22Å; F947-P1004 HydrophobicContact CE1-CB 3.52Å; F947-P1004 HydrophobicContact CE1-CG 3.74Å; F947-P1004 HydrophobicContact CE2-CB 4.08Å; F947-P1004 HydrophobicContact CE2-CG 3.92Å; F947-P1004 HydrophobicContact CG-CG 4.29Å; F947-P1004 HydrophobicContact CZ-CB 3.4Å; F947-P1004 HydrophobicContact CZ-CG 3.69Å; P1004-S1006 PolarHBondContact O-N 3.35Å | ||
| 1005 | F | 27 | Very low | 28.1 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -71 | 84.2 | 165.5 | -75.4 | -78.2 | 0 | 0 | 0 | 109.5 | L1003 V1007 | L1003-F1005 VanDerWaalsContact C-N 3.3Å; L1003-F1005 HydrophobicContact CB-CD2 4.13Å; L1003-F1005 HydrophobicContact CB-CE2 3.86Å; L1003-F1005 HydrophobicContact CD1-CE2 4.37Å; L1003-F1005 PolarHBondContact O-N 2.96Å; F1005-V1007 HydrophobicContact CB-CG2 4.06Å; F1005-V1007 PolarHBondContact O-N 3.34Å | ||
| 1006 | S | 25.3 | Very low | 28 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -64 | 91.2 | 157.5 | -172.4 | 0 | 0 | 0 | 0 | 107.5 | P1004 D1008 | P1004-S1006 PolarHBondContact O-N 3.35Å; S1006-D1008 PolarHBondContact O-N 2.94Å | ||
| 1007 | V | 30 | Very low | 28.2 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 56% | 0.558 | 73% | 0.729 | S | S | * | * | trans | -85.2 | 111.1 | 177.6 | -177 | 0 | 0 | 0 | 0 | 108.1 | F1005 L1009 | F1005-V1007 HydrophobicContact CB-CG2 4.06Å; F1005-V1007 PolarHBondContact O-N 3.34Å; V1007-L1009 VanDerWaalsContact C-N 3.32Å; V1007-L1009 HydrophobicContact CB-CD2 4.45Å; V1007-L1009 HydrophobicContact CB-CG 4.3Å; V1007-L1009 HydrophobicContact CG1-CD2 3.72Å; V1007-L1009 HydrophobicContact CG1-CG 3.99Å; V1007-L1009 PolarHBondContact O-N 3.11Å | ||
| 1008 | D | 28 | Very low | 28.4 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -60.8 | 92.4 | 165.8 | -75.5 | -54.2 | 0 | 0 | 0 | 109.8 | S1006 L1010 | S1006-D1008 PolarHBondContact O-N 2.94Å; D1008-L1010 PolarHBondContact O-N 3.27Å | ||
| 1009 | L | 30.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 52% | 0.524 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 41.5 | -170.1 | -84.7 | 179.1 | 0 | 0 | 0 | 114.4 | R642 V1007 | R642-L1009 VanDerWaalsContact NH1-CD2 3.27Å; V1007-L1009 VanDerWaalsContact C-N 3.32Å; V1007-L1009 HydrophobicContact CB-CD2 4.45Å; V1007-L1009 HydrophobicContact CB-CG 4.3Å; V1007-L1009 HydrophobicContact CG1-CD2 3.72Å; V1007-L1009 HydrophobicContact CG1-CG 3.99Å; V1007-L1009 PolarHBondContact O-N 3.11Å |
| 1010 | L | 29 | Very low | 28.8 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 62% | 0.618 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 24.5 | 175.8 | -105.9 | 153.9 | 0 | 0 | 0 | 115 | A631 D1008 | A631-L1010 HydrophobicContact CB-CD1 3.54Å; D1008-L1010 PolarHBondContact O-N 3.27Å |
| 1011 | Q | 28 | Very low | 29.1 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -116.4 | 85 | 167.3 | -89.2 | -168.1 | -2.9 | 0 | 0 | 113 | ||||
| 1012 | S | 27.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -151.5 | 45 | 176.2 | 70.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1013 | S | 28.8 | Very low | 29.2 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -163.6 | 28.3 | 170.3 | 57 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1014 | K | 28 | Very low | 29.3 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | -142.6 | 82.2 | 173.5 | -77.5 | -163.4 | 175.1 | -170.3 | 0 | 113.5 | ||||
| 1015 | L | 27.4 | Very low | 29.5 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | 175.2 | 90 | 153.2 | -103.2 | 159.5 | 0 | 0 | 0 | 110.1 | ||||
| 1016 | L | 28.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | 176.2 | 75.8 | 153.7 | -103 | 160.8 | 0 | 0 | 0 | 110.9 | ||||
| 1017 | D | 32 | Very low | 30.2 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -153.3 | 58.6 | 162.7 | -129.3 | -24.1 | 0 | 0 | 0 | 110.1 | K1019 | D1017-K1019 PolarHBondContact O-N 2.93Š| ||
| 1018 | N | 31.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 146 Ų | 146 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -94 | 77.5 | -176.1 | -164.4 | 9.3 | 0 | 0 | 0 | 111 | T1020 | N1018-T1020 PolarHBondContact O-N 3.2Š| ||
| 1019 | K | 34.1 | Very low | 30.7 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -91.5 | 98.5 | 177.4 | -103.7 | -177.5 | 177 | 175 | 0 | 112.5 | D1017 | D1017-K1019 PolarHBondContact O-N 2.93Š| ||
| 1020 | T | 30.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | trans | 62 | 133.1 | 141.8 | 54.1 | 0 | 0 | 0 | 0 | 120.6 | N1018 | N1018-T1020 PolarHBondContact O-N 3.2Š| ||
| 1021 | T | 31.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 75.1 | 137.9 | 173 | 75.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1022 | L | 30.2 | Very low | 31 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | cis | -121.4 | 175.2 | 11.4 | -90 | 90.7 | 0 | 0 | 0 | 113.6 | ||||
| 1023 | P | 31.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | trans | -125.3 | -179 | -164.9 | 45.4 | -33.1 | 0 | 0 | 0 | 116.6 | ||||
| 1024 | V | 29.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | 87.4 | 133.6 | 156.3 | 174.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1025 | N | 32.2 | Very low | 31.6 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | trans | 71.6 | 147.9 | 163.5 | -73.5 | -8.8 | 0 | 0 | 0 | 121.1 | ||||
| 1026 | T | 31.2 | Very low | 31.9 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 68% | 0.681 | 81% | 0.809 | S | S | * | * | 175.7 | 152.2 | -50.5 | 30.6 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1027 | S | 34.8 | Very low | 32.2 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 62.1 | 146.8 | -179.4 | 64.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1028 | H | 38.2 | Very low | 32.2 | Very low | 258 Ų | 258 | 144.6 Ų | 144.6 | 100% | 1.194 | 80% | 0.8 | S | S | * | * | cis | -104.8 | 0 | 2.1 | -105.8 | -74.4 | 0 | 0 | 0 | 113.5 |
Retrieved 1,028 of 1,028 residues in 1539.3 ms
(Link to these results)