| 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 | 34.8 | Very low | 50.5 | Low | 251 Ų | 251 | 118.9 Ų | 118.9 | 100% | 1.236 | 70% | 0.701 | S | S | * | * | 0 | 102.6 | 0 | -79.1 | 177.3 | -149.4 | 0 | 0 | 109 | |||||
| 2 | A | 46.1 | Very low | 52.2 | Low | 85 Ų | 85 | 117.2 Ų | 117.2 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | trans | -161.6 | 20.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | F | 46.7 | Very low | 53.7 | Low | 197 Ų | 197 | 115.5 Ų | 115.5 | 86% | 0.864 | 67% | 0.668 | S | S | * | * | trans | -96.3 | 7.7 | 178.7 | -79.4 | -77 | 0 | 0 | 0 | 114.2 | ||||
| 4 | G | 44.1 | Very low | 54.9 | Low | 65 Ų | 65 | 112.6 Ų | 112.6 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -83.1 | -9.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 5 | T | 50.9 | Low | 56.2 | Low | 103 Ų | 103 | 112.5 Ų | 112.5 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -101.2 | -31.6 | -172.3 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | T7 S8 | T5-T7 PolarHBondContact O-N 3.27Å; T5-S8 PolarHBondContact O-N 3.11Å; T5-S8 PolarHBondContact O-OG 3.15Å |
| 6 | M | 47.8 | Very low | 57.3 | Low | 138 Ų | 138 | 112 Ų | 112 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.1 | -32.8 | -174.5 | -104.4 | -174.7 | 120 | 0 | 0 | 114.5 | S8 L9 L10 | M6-S8 VanDerWaalsContact C-N 3.29Å; M6-S8 PolarHBondContact O-N 3.01Å; M6-L9 PolarHBondContact O-N 2.71Å; M6-L10 PolarHBondContact O-N 3.06Å |
| 7 | T | 51.4 | Low | 58 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.7 | -31 | 178.6 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | T5 G11 | T5-T7 PolarHBondContact O-N 3.27Å; T7-G11 PolarHBondContact O-N 2.88Å |
| 8 | S | 57 | Low | 58.9 | Low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.2 | -35.1 | 176 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | T5 M6 | T5-S8 PolarHBondContact O-N 3.11Å; T5-S8 PolarHBondContact O-OG 3.15Å; M6-S8 VanDerWaalsContact C-N 3.29Å; M6-S8 PolarHBondContact O-N 3.01Å |
| 9 | L | 53.6 | Low | 59.5 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.4 | -40.3 | -179.6 | -122.3 | 102.9 | 0 | 0 | 0 | 112.2 | M6 G11 M12 | M6-L9 PolarHBondContact O-N 2.71Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.43Å; L9-M12 WeakPolarHBondContact O-CB 3.28Å; L9-M12 PolarHBondContact O-N 3.44Å |
| 10 | L | 58.5 | Low | 60.1 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.1 | -34.2 | 177.1 | -75.3 | 159.3 | 0 | 0 | 0 | 111.8 | M6 M12 I13 | M6-L10 PolarHBondContact O-N 3.06Å; L10-M12 PolarHBondContact O-N 3.1Å; L10-I13 HydrophobicContact CD2-CD1 3.85Å; L10-I13 WeakPolarHBondContact O-CB 3.31Å; L10-I13 PolarHBondContact O-N 3.42Å |
| 11 | G | 64.5 | Low | 60.4 | Low | 48 Ų | 48 | 104.6 Ų | 104.6 | 50% | 0.495 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.5 | -20.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T7 L9 | T7-G11 PolarHBondContact O-N 2.88Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.43Å |
| 12 | M | 70.9 | Confident | 62.2 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 48% | 0.483 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.7 | -18.5 | 176.1 | -68.1 | -66.2 | -65.1 | 0 | 0 | 113.1 | L9 L10 L15 L16 | L9-M12 WeakPolarHBondContact O-CB 3.28Å; L9-M12 PolarHBondContact O-N 3.44Å; L10-M12 PolarHBondContact O-N 3.1Å; M12-L15 PolarHBondContact O-N 3.34Å; M12-L15 HydrophobicContact SD-CD1 4Å; M12-L16 HydrophobicContact CB-CD1 4.45Å; M12-L16 WeakPolarHBondContact O-CB 3.22Å; M12-L16 PolarHBondContact O-N 3.25Å |
| 13 | I | 71.2 | Confident | 63.1 | Low | 96 Ų | 96 | 102.5 Ų | 102.5 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -45.6 | -176.8 | -62.9 | 176.7 | 0 | 0 | 0 | 111.9 | L10 L15 L16 A17 | L10-I13 HydrophobicContact CD2-CD1 3.85Å; L10-I13 WeakPolarHBondContact O-CB 3.31Å; L10-I13 PolarHBondContact O-N 3.42Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.35Å; I13-L16 PolarHBondContact O-N 3.23Å; I13-A17 VanDerWaalsContact O-CB 3.3Å; I13-A17 WeakPolarHBondContact O-CB 3.49Å; I13-A17 PolarHBondContact O-N 2.98Å |
| 14 | P | 71.5 | Confident | 64.1 | Low | 75 Ų | 75 | 100.7 Ų | 100.7 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.5 | -40.2 | 174.2 | -24.1 | 34.9 | 0 | 0 | 0 | 112.8 | A17 I18 | P14-A17 PolarHBondContact O-N 2.87Å; P14-I18 WeakPolarHBondContact O-CB 3.24Å; P14-I18 WeakPolarHBondContact O-CD1 3.02Å; P14-I18 WeakPolarHBondContact O-CG1 3.5Å; P14-I18 PolarHBondContact O-N 3.27Å |
| 15 | L | 73.8 | Confident | 65.2 | Low | 111 Ų | 111 | 104.2 Ų | 104.2 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.1 | -41.9 | 177.8 | -71.3 | 171 | 0 | 0 | 0 | 111.8 | M12 I13 I18 G19 | M12-L15 PolarHBondContact O-N 3.34Å; M12-L15 HydrophobicContact SD-CD1 4Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 2.97Å; L15-G19 PolarHBondContact O-N 3.04Å |
| 16 | L | 73.4 | Confident | 66 | Low | 104 Ų | 104 | 103.1 Ų | 103.1 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 173 | -79.5 | 164.3 | 0 | 0 | 0 | 111.2 | M12 I13 G19 M20 | M12-L16 HydrophobicContact CB-CD1 4.45Å; M12-L16 WeakPolarHBondContact O-CB 3.22Å; M12-L16 PolarHBondContact O-N 3.25Å; I13-L16 PolarHBondContact O-N 3.23Å; L16-G19 PolarHBondContact O-N 2.91Å; L16-M20 VanDerWaalsContact O-CB 3.28Å; L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.23Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.82Å |
| 17 | A | 69.7 | Low | 67 | Low | 42 Ų | 42 | 98.3 Ų | 98.3 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I13 P14 N21 | I13-A17 VanDerWaalsContact O-CB 3.3Å; I13-A17 WeakPolarHBondContact O-CB 3.49Å; I13-A17 PolarHBondContact O-N 2.98Å; P14-A17 PolarHBondContact O-N 2.87Å; A17-N21 VanDerWaalsContact O-CB 3.28Å; A17-N21 WeakPolarHBondContact O-CB 3.5Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 2.83Å |
| 18 | I | 73.7 | Confident | 67.7 | Low | 110 Ų | 110 | 98 Ų | 98 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 174 | -70.5 | 163.9 | 0 | 0 | 0 | 109.9 | P14 L15 M20 N21 F22 | P14-I18 WeakPolarHBondContact O-CB 3.24Å; P14-I18 WeakPolarHBondContact O-CD1 3.02Å; P14-I18 WeakPolarHBondContact O-CG1 3.5Å; P14-I18 PolarHBondContact O-N 3.27Å; L15-I18 PolarHBondContact O-N 2.97Å; I18-M20 PolarHBondContact O-N 3.29Å; I18-N21 PolarHBondContact O-N 3.01Å; I18-F22 VanDerWaalsContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 2.83Å |
| 19 | G | 70.6 | Confident | 68.5 | Low | 38 Ų | 38 | 95.9 Ų | 95.9 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 L16 F22 Y23 | L15-G19 PolarHBondContact O-N 3.04Å; L16-G19 PolarHBondContact O-N 2.91Å; G19-F22 PolarHBondContact O-N 2.9Å; G19-Y23 VanDerWaalsContact O-CB 3.25Å; G19-Y23 WeakPolarHBondContact O-CB 3.13Å; G19-Y23 PolarHBondContact O-N 2.89Å |
| 20 | M | 71 | Confident | 69.6 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 53% | 0.532 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.8 | -75 | 179.6 | 70.3 | 0 | 0 | 112.1 | L16 I18 R24 | L16-M20 VanDerWaalsContact O-CB 3.28Å; L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.23Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.82Å; I18-M20 PolarHBondContact O-N 3.29Å; M20-R24 WeakPolarHBondContact O-CB 3.48Å; M20-R24 VanDerWaalsContact O-CG 3.26Å; M20-R24 WeakPolarHBondContact O-CG 3.46Å; M20-R24 PolarHBondContact O-N 2.92Å |
| 21 | N | 66.8 | Low | 70.6 | Confident | 107 Ų | 107 | 91 Ų | 91 | 57% | 0.572 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68 | -40.4 | 175.5 | -85.2 | -68.6 | 0 | 0 | 0 | 111.5 | A17 I18 R24 Y25 | A17-N21 VanDerWaalsContact O-CB 3.28Å; A17-N21 WeakPolarHBondContact O-CB 3.5Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 2.83Å; I18-N21 PolarHBondContact O-N 3.01Å; N21-R24 PolarHBondContact O-N 2.86Å; N21-Y25 WeakPolarHBondContact O-CB 3.33Å; N21-Y25 PolarHBondContact O-N 2.91Å |
| 22 | F | 72 | Confident | 71.6 | Confident | 125 Ų | 125 | 90.8 Ų | 90.8 | 55% | 0.548 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 175.6 | -175.2 | -99.2 | 0 | 0 | 0 | 111.2 | I18 G19 Y25 Q26 | I18-F22 VanDerWaalsContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 2.83Å; G19-F22 PolarHBondContact O-N 2.9Å; F22-Y25 PolarHBondContact O-N 3.11Å; F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 VanDerWaalsContact CE1-CD 3.44Å; F22-Q26 HydrophobicContact CE1-CG 4.16Å; F22-Q26 HydrophobicContact CZ-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CB 3.31Å; F22-Q26 WeakPolarHBondContact O-CG 3.44Å; F22-Q26 PolarHBondContact O-N 2.8Å |
| 23 | Y | 66.9 | Low | 72.4 | Confident | 166 Ų | 166 | 90.1 Ų | 90.1 | 65% | 0.651 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 174.4 | -177.6 | -97.6 | 0 | 0 | 0 | 111.8 | G19 Q26 S27 | G19-Y23 VanDerWaalsContact O-CB 3.25Å; G19-Y23 WeakPolarHBondContact O-CB 3.13Å; G19-Y23 PolarHBondContact O-N 2.89Å; Y23-Q26 PolarHBondContact O-N 3.41Å; Y23-S27 WeakPolarHBondContact O-CB 3.4Å; Y23-S27 PolarHBondContact O-N 3.07Å |
| 24 | R | 65.9 | Low | 73.3 | Confident | 159 Ų | 159 | 86.3 Ų | 86.3 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.5 | -47.6 | 174.3 | -81.2 | -176.3 | 178.7 | -171.6 | 1.3 | 110.8 | M20 N21 Q26 S27 V28 | M20-R24 WeakPolarHBondContact O-CB 3.48Å; M20-R24 VanDerWaalsContact O-CG 3.26Å; M20-R24 WeakPolarHBondContact O-CG 3.46Å; M20-R24 PolarHBondContact O-N 2.92Å; N21-R24 PolarHBondContact O-N 2.86Å; R24-Q26 PolarHBondContact O-N 3.09Å; R24-S27 WeakPolarHBondContact CA-OG 3.33Å; R24-S27 CarbonylContact O-C 2.97Å; R24-S27 WeakPolarHBondContact O-CA 3.15Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 PolarHBondContact O-OG 3.16Å; R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.39Å; R24-V28 PolarHBondContact O-N 2.66Å |
| 25 | Y | 67.5 | Low | 73.9 | Confident | 140 Ų | 140 | 88 Ų | 88 | 55% | 0.549 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 177.6 | -179.3 | -99.2 | 0 | 0 | 0 | 110.7 | N21 F22 S27 V28 D29 | N21-Y25 WeakPolarHBondContact O-CB 3.33Å; N21-Y25 PolarHBondContact O-N 2.91Å; F22-Y25 PolarHBondContact O-N 3.11Å; Y25-S27 VanDerWaalsContact C-N 3.27Å; Y25-S27 PolarHBondContact O-N 2.93Å; Y25-V28 PolarHBondContact O-N 3.08Å; Y25-V28 VanDerWaalsContact O-N 3.13Å; Y25-D29 HydrophobicContact CD1-CB 4.48Å; Y25-D29 HydrophobicContact CE1-CB 4.24Å; Y25-D29 WeakPolarHBondContact O-CA 3.27Å; Y25-D29 WeakPolarHBondContact O-CB 3.11Å; Y25-D29 PolarHBondContact O-N 2.92Å |
| 26 | Q | 69.2 | Low | 74.6 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 173.7 | -73.4 | -169.8 | -23 | 0 | 0 | 112.5 | F22 Y23 R24 V28 N32 R251 | F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 VanDerWaalsContact CE1-CD 3.44Å; F22-Q26 HydrophobicContact CE1-CG 4.16Å; F22-Q26 HydrophobicContact CZ-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CB 3.31Å; F22-Q26 WeakPolarHBondContact O-CG 3.44Å; F22-Q26 PolarHBondContact O-N 2.8Å; Y23-Q26 PolarHBondContact O-N 3.41Å; R24-Q26 PolarHBondContact O-N 3.09Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; Q26-V28 PolarHBondContact O-N 3.48Å; Q26-N32 WeakPolarHBondContact CA-ND2 3.17Å; Q26-N32 WeakPolarHBondContact CB-ND2 3.21Å; Q26-N32 PolarHBondContact O-ND2 2.69Å; Q26-R251 PolarHBondContact O-NH2 2.85Å; Q26-R251 VanDerWaalsContact O-NH2 3.07Å |
| 27 | S | 67.1 | Low | 75.1 | Confident | 36 Ų | 36 | 82.9 Ų | 82.9 | 25% | 0.252 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.6 | -28.3 | 178.3 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | Y23 R24 Y25 R251 Q252 | Y23-S27 WeakPolarHBondContact O-CB 3.4Å; Y23-S27 PolarHBondContact O-N 3.07Å; R24-S27 WeakPolarHBondContact CA-OG 3.33Å; R24-S27 CarbonylContact O-C 2.97Å; R24-S27 WeakPolarHBondContact O-CA 3.15Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 PolarHBondContact O-OG 3.16Å; Y25-S27 VanDerWaalsContact C-N 3.27Å; Y25-S27 PolarHBondContact O-N 2.93Å; S27-R251 PolarHBondContact O-NH2 3.45Å; S27-Q252 PolarHBondContact O-NE2 2.98Å; S27-Q252 VanDerWaalsContact O-NE2 3.09Å |
| 28 | V | 66.6 | Low | 75.7 | Confident | 101 Ų | 101 | 88 Ų | 88 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -108.8 | -13.2 | -175.8 | -59 | 0 | 0 | 0 | 0 | 115.4 | R24 Y25 Q26 P30 | R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.39Å; R24-V28 PolarHBondContact O-N 2.66Å; Y25-V28 PolarHBondContact O-N 3.08Å; Y25-V28 VanDerWaalsContact O-N 3.13Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; Q26-V28 PolarHBondContact O-N 3.48Å; V28-P30 WeakPolarHBondContact O-CD 3.23Å |
| 29 | D | 74.1 | Confident | 76.4 | Confident | 30 Ų | 30 | 88.1 Ų | 88.1 | 16% | 0.16 | 45% | 0.447 | C | S | . | . | trans | -61 | 118.3 | -178.2 | 172.3 | 13.5 | 0 | 0 | 0 | 109.6 | Y25 E31 N32 R251 | Y25-D29 HydrophobicContact CD1-CB 4.48Å; Y25-D29 HydrophobicContact CE1-CB 4.24Å; Y25-D29 WeakPolarHBondContact O-CA 3.27Å; Y25-D29 WeakPolarHBondContact O-CB 3.11Å; Y25-D29 PolarHBondContact O-N 2.92Å; D29-E31 PolarHBondContact O-N 2.55Å; D29-E31 PolarHBondContact OD1-N 3.03Å; D29-N32 HydrophobicContact CB-CB 4Å; D29-N32 PolarHBondContact O-N 3.39Å; D29-R251 PolarHBondContact O-NE 2.75Å; D29-R251 VanDerWaalsContact O-NE 3.1Å; D29-R251 PolarHBondContact O-NH2 2.99Å | ||
| 30 | P | 76.1 | Confident | 77.4 | Confident | 74 Ų | 74 | 88.5 Ų | 88.5 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.1 | -179.5 | 29.2 | -36.6 | 0 | 0 | 0 | 113.1 | V28 R248 | V28-P30 WeakPolarHBondContact O-CD 3.23Å; P30-R248 CarbonylContact O-C 3.56Å; P30-R248 WeakPolarHBondContact O-CB 3.35Å; P30-R248 VanDerWaalsContact O-O 3.11Å |
| 31 | E | 80.6 | Confident | 78.6 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 29% | 0.29 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -0.4 | 176.8 | -62.5 | -165.5 | 165.7 | 0 | 0 | 113.6 | D29 R235 R236 R248 | D29-E31 PolarHBondContact O-N 2.55Å; D29-E31 PolarHBondContact OD1-N 3.03Å; E31-R235 IonicContact OE1-NH1 3.92Å; E31-R235 PolarHBondContact OE1-NH1 3.46Å; E31-R236 VanDerWaalsContact CD-NH2 3.27Å; E31-R236 IonicContact OE1-CZ 3Å; E31-R236 IonicContact OE1-NH1 3.25Å; E31-R236 PolarHBondContact OE1-NH1 3.47Å; E31-R236 IonicContact OE1-NH2 3.65Å; E31-R236 PolarHBondContact OE1-NH2 3Å; E31-R236 IonicContact OE2-CZ 3.66Å; E31-R236 IonicContact OE2-NH1 3.89Å; E31-R236 IonicContact OE2-NH2 2.92Å; E31-R236 PolarHBondContact OE2-NH2 3.26Å; E31-R248 WeakPolarHBondContact O-CD 3.5Å; E31-R248 PolarHBondContact O-NH1 3.13Å |
| 32 | N | 85.1 | Confident | 80 | Confident | 44 Ų | 44 | 93.1 Ų | 93.1 | 24% | 0.235 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -78.8 | 165.9 | 177.5 | -158 | 2 | 0 | 0 | 0 | 112.6 | Q26 D29 R251 | Q26-N32 WeakPolarHBondContact CA-ND2 3.17Å; Q26-N32 WeakPolarHBondContact CB-ND2 3.21Å; Q26-N32 PolarHBondContact O-ND2 2.69Å; D29-N32 HydrophobicContact CB-CB 4Å; D29-N32 PolarHBondContact O-N 3.39Å; N32-R251 WeakPolarHBondContact O-CD 3.44Å |
| 33 | K | 87.3 | Confident | 81.2 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 153 | -179.6 | -66.7 | -169.1 | -179.9 | -172.2 | 0 | 112.9 | D78 E79 R251 | K33-D78 WeakPolarHBondContact CA-OD2 3.14Å; K33-D78 VanDerWaalsContact CB-OD2 3.23Å; K33-D78 WeakPolarHBondContact CB-OD2 3.29Å; K33-D78 HydrophobicContact CD-CB 4.38Å; K33-D78 WeakPolarHBondContact CG-OD2 3.4Å; K33-E79 WeakPolarHBondContact CE-O 3.48Å; K33-E79 PolarHBondContact NZ-O 3.35Å; K33-R251 WeakPolarHBondContact O-CD 3.49Å; K33-R251 PolarHBondContact O-NH1 3.29Å |
| 34 | V | 89.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 83.7 Ų | 83.7 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -66 | 144.9 | 175.8 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | D78 L128 I247 R251 V258 L260 | V34-D78 PolarHBondContact N-OD2 2.95Å; V34-L128 HydrophobicContact CB-CD2 4.45Å; V34-L128 HydrophobicContact CG1-CD2 3.69Å; V34-L128 HydrophobicContact CG2-CD2 3.86Å; V34-I247 HydrophobicContact CG1-CG2 3.58Å; V34-R251 HydrophobicContact CG1-CB 4.28Å; V34-V258 HydrophobicContact CB-CB 4.49Å; V34-V258 HydrophobicContact CG1-CG2 4.43Å; V34-V258 HydrophobicContact CG2-CG1 4.16Å; V34-L260 HydrophobicContact CG2-CD1 3.94Å; V34-L260 HydrophobicContact CG2-CD2 4.45Å; V34-L260 HydrophobicContact CG2-CG 4.35Å |
| 35 | Q | 85.5 | Confident | 84.3 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 117.2 | 171.7 | -69.8 | 173.8 | 6.4 | 0 | 0 | 107.5 | ||
| 36 | E | 87.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 137.4 | 173.2 | -65.8 | -165 | 96 | 0 | 0 | 109.6 | L260 R282 | E36-L260 HydrophobicContact CG-CG 4.37Å; E36-L260 PolarHBondContact OE1-N 3.49Å; E36-R282 IonicContact OE1-CZ 2.69Å; E36-R282 IonicContact OE1-NE 3.35Å; E36-R282 IonicContact OE1-NH2 3.7Å; E36-R282 PolarHBondContact OE1-NH2 3.43Å; E36-R282 IonicContact OE2-NH2 3.51Å; E36-R282 PolarHBondContact OE2-NH2 2.97Å |
| 37 | P | 85.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 141.9 | -179.3 | 30.3 | -37.7 | 0 | 0 | 0 | 110.6 | V39 I40 D257 V258 | P37-V39 VanDerWaalsContact C-N 3.32Å; P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CG-CD1 3.32Å; P37-I40 HydrophobicContact CG-CG1 4.12Å; P37-D257 HydrophobicContact CG-CB 4.08Å; P37-V258 WeakPolarHBondContact CD-O 3.46Å |
| 38 | T | 82.3 | Confident | 88.7 | Confident | 149 Ų | 149 | 64.1 Ų | 64.1 | 91% | 0.914 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -70.3 | -30.9 | 174.5 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||
| 39 | V | 86.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 59.6 Ų | 59.6 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -132 | 122.6 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | P37 | P37-V39 VanDerWaalsContact C-N 3.32Š|
| 40 | I | 91.7 | Very high | 91.4 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | trans | -88.8 | 135.6 | 172.8 | -68.1 | -73.3 | 0 | 0 | 0 | 109.3 | P37 Y44 L71 L259 | P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CG-CD1 3.32Å; P37-I40 HydrophobicContact CG-CG1 4.12Å; I40-Y44 HydrophobicContact CG2-CE2 4Å; I40-L71 HydrophobicContact CD1-CD1 3.96Å; I40-L259 HydrophobicContact CD1-CD1 3.94Å; I40-L259 HydrophobicContact CD1-CD2 4.25Å; I40-L259 HydrophobicContact CD1-CG 4.5Å; I40-L259 HydrophobicContact CG1-CD1 4.22Å; I40-L259 HydrophobicContact CG1-CD2 4.42Å | ||
| 41 | R | 96.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | trans | -67.6 | 143.5 | 175.3 | -56.3 | 171.1 | 171.8 | 85.1 | -4.7 | 109 | Q43 Y44 K254 D257 | R41-Q43 PolarHBondContact O-N 3.45Å; R41-Y44 HydrophobicContact CB-CD2 4.2Å; R41-Y44 HydrophobicContact CB-CE1 4.22Å; R41-Y44 HydrophobicContact CB-CE2 3.61Å; R41-Y44 HydrophobicContact CG-CE1 4.2Å; R41-Y44 HydrophobicContact CG-CE2 4.41Å; R41-Y44 PolarHBondContact N-OH 2.66Å; R41-Y44 WeakPolarHBondContact O-CE2 3.43Å; R41-K254 PolarHBondContact NH2-O 2.98Å; R41-D257 IonicContact CZ-OD2 3.65Å; R41-D257 VanDerWaalsContact NH1-CG 3.34Å; R41-D257 IonicContact NH1-OD1 2.67Å; R41-D257 PolarHBondContact NH1-OD1 2.92Å; R41-D257 IonicContact NH1-OD2 3.11Å; R41-D257 PolarHBondContact NH1-OD2 2.94Å | ||
| 42 | R | 96 | Very high | 93.4 | Very high | 223 Ų | 223 | 52.8 Ų | 52.8 | 84% | 0.842 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -64.4 | -26.8 | 174.4 | -69.9 | -173.8 | 176.2 | -175.3 | -0.7 | 112.6 | F290 | R42-F290 PolarHBondContact O-N 3.34Š|
| 43 | Q | 98.2 | Very high | 94 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137.8 | -176.7 | -167 | -178.7 | 51.2 | 0 | 0 | 110.8 | R41 F290 R292 | R41-Q43 PolarHBondContact O-N 3.45Å; Q43-F290 VanDerWaalsContact CA-O 3.28Å; Q43-F290 WeakPolarHBondContact CA-O 3.21Å; Q43-F290 HydrophobicContact CB-CB 4.1Å; Q43-F290 HydrophobicContact CG-CB 3.83Å; Q43-R292 HydrophobicContact CG-CG 3.66Å |
| 44 | Y | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 162.5 | 174.7 | -70.5 | -99.9 | 0 | 0 | 0 | 110.9 | I40 R41 T69 L71 D257 V289 F290 V291 R292 | I40-Y44 HydrophobicContact CG2-CE2 4Å; R41-Y44 HydrophobicContact CB-CD2 4.2Å; R41-Y44 HydrophobicContact CB-CE1 4.22Å; R41-Y44 HydrophobicContact CB-CE2 3.61Å; R41-Y44 HydrophobicContact CG-CE1 4.2Å; R41-Y44 HydrophobicContact CG-CE2 4.41Å; R41-Y44 PolarHBondContact N-OH 2.66Å; R41-Y44 WeakPolarHBondContact O-CE2 3.43Å; Y44-T69 WeakPolarHBondContact CA-OG1 3.17Å; Y44-L71 HydrophobicContact CD1-CB 3.68Å; Y44-L71 HydrophobicContact CD2-CB 3.82Å; Y44-L71 HydrophobicContact CD2-CD2 3.97Å; Y44-L71 HydrophobicContact CE1-CB 3.77Å; Y44-L71 HydrophobicContact CE2-CB 3.91Å; Y44-L71 HydrophobicContact CE2-CD1 4.49Å; Y44-L71 HydrophobicContact CE2-CD2 3.71Å; Y44-L71 HydrophobicContact CE2-CG 4.26Å; Y44-L71 HydrophobicContact CG-CB 3.71Å; Y44-D257 HydrophobicContact CE1-CB 4.16Å; Y44-D257 WeakPolarHBondContact CE1-OD2 3.42Å; Y44-D257 PolarHBondContact OH-OD2 2.85Å; Y44-V289 HydrophobicContact CD2-CG2 3.55Å; Y44-V289 HydrophobicContact CE2-CG2 3.85Å; Y44-F290 PolarHBondContact N-O 2.88Å; Y44-V291 CarbonylContact O-C 3.54Å; Y44-V291 WeakPolarHBondContact O-CA 3.28Å; Y44-R292 PolarHBondContact O-N 3.22Å |
| 45 | D | 98.7 | Very high | 95 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -48.9 | 167.3 | -67.5 | -69 | 0 | 0 | 0 | 110.7 | W68 T69 V291 R292 R293 E294 | D45-W68 HydrophobicContact CB-CB 4.32Å; D45-W68 VanDerWaalsContact OD2-CA 3.31Å; D45-W68 WeakPolarHBondContact OD2-CA 3.3Å; D45-T69 WeakPolarHBondContact CB-O 3.28Å; D45-T69 PolarHBondContact N-O 2.93Å; D45-T69 PolarHBondContact N-OG1 3.22Å; D45-T69 PolarHBondContact OD2-N 3.35Å; D45-T69 PolarHBondContact OD2-OG1 3.46Å; D45-V291 VanDerWaalsContact O-CG2 3.27Å; D45-V291 WeakPolarHBondContact O-CG2 3.3Å; D45-R292 IonicContact OD1-CZ 3.25Å; D45-R292 VanDerWaalsContact OD1-CZ 3.25Å; D45-R292 IonicContact OD1-NE 3.13Å; D45-R292 PolarHBondContact OD1-NE 2.55Å; D45-R292 IonicContact OD1-NH2 2.98Å; D45-R292 PolarHBondContact OD1-NH2 3.2Å; D45-R292 IonicContact OD2-CZ 3.12Å; D45-R292 IonicContact OD2-NE 3.55Å; D45-R292 IonicContact OD2-NH2 3.87Å; D45-R292 PolarHBondContact OD2-NH2 2.93Å; D45-R293 HydrophobicContact CB-CG 4.19Å; D45-R293 WeakPolarHBondContact O-CA 3.47Å; D45-R293 WeakPolarHBondContact O-CB 3.45Å; D45-R293 PolarHBondContact O-N 2.61Å; D45-R293 IonicContact OD1-NE 3.77Å; D45-R293 PolarHBondContact OD1-NE 2.78Å; D45-E294 PolarHBondContact O-N 3.27Å |
| 46 | F | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.9 | -179 | -60.3 | -83.9 | 0 | 0 | 0 | 110.7 | L62 W68 T69 V70 L71 R293 E294 I296 I600 W604 | F46-L62 HydrophobicContact CB-CD1 4.01Å; F46-L62 HydrophobicContact CD1-CD1 3.99Å; F46-L62 HydrophobicContact CD2-CD1 4.16Å; F46-L62 HydrophobicContact CG-CD1 3.78Å; F46-W68 HydrophobicContact CD2-CD2 4.36Å; F46-W68 HydrophobicContact CD2-CE3 4.11Å; F46-W68 HydrophobicContact CE2-CB 4.46Å; F46-W68 AromaticContact CE2-CD2 3.56Å; F46-W68 HydrophobicContact CE2-CD2 3.56Å; F46-W68 AromaticContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CG 4.06Å; F46-W68 HydrophobicContact CE2-CH2 4.08Å; F46-W68 HydrophobicContact CE2-CZ2 4.28Å; F46-W68 AromaticContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CZ-CD2 4.45Å; F46-W68 HydrophobicContact CZ-CE3 4.18Å; F46-W68 HydrophobicContact CZ-CH2 4.08Å; F46-W68 HydrophobicContact CZ-CZ2 4.42Å; F46-W68 AromaticContact CZ-CZ3 4Å; F46-W68 HydrophobicContact CZ-CZ3 4Å; F46-T69 PolarHBondContact N-O 2.85Å; F46-T69 VanDerWaalsContact N-O 3.13Å; F46-V70 WeakPolarHBondContact O-CA 3.44Å; F46-L71 PolarHBondContact O-N 2.9Å; F46-R293 HydrophobicContact CD1-CB 4.27Å; F46-R293 HydrophobicContact CE1-CB 3.81Å; F46-R293 HydrophobicContact CE2-CB 4.42Å; F46-R293 HydrophobicContact CZ-CB 3.9Å; F46-R293 VanDerWaalsContact CZ-CD 3.46Å; F46-R293 HydrophobicContact CZ-CG 4.33Å; F46-E294 WeakPolarHBondContact CA-O 3.39Å; F46-E294 HydrophobicContact CD1-CB 4.02Å; F46-E294 HydrophobicContact CE1-CB 4.05Å; F46-E294 HydrophobicContact CE1-CG 4.29Å; F46-I296 HydrophobicContact CD1-CD1 4.49Å; F46-I600 HydrophobicContact CD1-CG2 4.39Å; F46-I600 HydrophobicContact CE1-CG2 3.5Å; F46-I600 HydrophobicContact CZ-CG2 3.69Å; F46-W604 AromaticContact CZ-CD1 3.84Å; F46-W604 HydrophobicContact CZ-CG 4.24Å |
| 47 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.6 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | I49 L71 L73 V278 V289 V291 E294 V295 I296 | V47-I49 HydrophobicContact CG1-CG1 4.41Å; V47-L71 CarbonylContact C-O 3.56Å; V47-L71 WeakPolarHBondContact CA-O 3.33Å; V47-L71 HydrophobicContact CG2-CB 4.48Å; V47-L73 HydrophobicContact CG1-CD1 3.81Å; V47-L73 HydrophobicContact CG1-CG 4.11Å; V47-V278 HydrophobicContact CB-CG2 4.21Å; V47-V278 HydrophobicContact CG1-CB 4.34Å; V47-V278 HydrophobicContact CG1-CG2 3.88Å; V47-V289 HydrophobicContact CG1-CG1 4.36Å; V47-V289 HydrophobicContact CG2-CG1 4.18Å; V47-V289 HydrophobicContact CG2-CG2 4.49Å; V47-V291 HydrophobicContact CG2-CB 4.3Å; V47-V291 HydrophobicContact CG2-CG2 4.2Å; V47-E294 PolarHBondContact N-O 3.26Å; V47-V295 WeakPolarHBondContact O-CA 3.34Å; V47-I296 PolarHBondContact O-N 3.5Å |
| 48 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | V58 A59 V70 L71 L72 L73 I296 | V48-V58 HydrophobicContact CG2-CG1 4.14Å; V48-A59 HydrophobicContact CG2-CB 4.34Å; V48-V70 HydrophobicContact CG2-CG1 4.21Å; V48-L71 PolarHBondContact N-O 2.89Å; V48-L72 HydrophobicContact CB-CD1 3.85Å; V48-L72 HydrophobicContact CG1-CD1 3.74Å; V48-L72 WeakPolarHBondContact O-CA 3.47Å; V48-L73 PolarHBondContact O-N 3.2Å; V48-I296 HydrophobicContact CB-CB 4.48Å; V48-I296 HydrophobicContact CG1-CB 4.39Å; V48-I296 HydrophobicContact CG2-CB 4.18Å; V48-I296 HydrophobicContact CG2-CG1 4.23Å |
| 49 | I | 98.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.3 | -178.4 | -59.7 | 172.8 | 0 | 0 | 0 | 108.6 | V47 A264 I267 V278 V295 I296 S298 A299 L307 | V47-I49 HydrophobicContact CG1-CG1 4.41Å; I49-A264 HydrophobicContact CB-CB 4.36Å; I49-A264 HydrophobicContact CD1-CB 3.85Å; I49-A264 HydrophobicContact CG1-CB 4.05Å; I49-A264 HydrophobicContact CG2-CB 3.42Å; I49-A264 VanDerWaalsContact CG2-CB 3.42Å; I49-I267 HydrophobicContact CD1-CG1 4.43Å; I49-V278 HydrophobicContact CD1-CG1 3.77Å; I49-V278 HydrophobicContact CD1-CG2 3.96Å; I49-V278 HydrophobicContact CG1-CG1 4.34Å; I49-V295 HydrophobicContact CD1-CG1 3.53Å; I49-V295 HydrophobicContact CG1-CG1 4.19Å; I49-I296 PolarHBondContact N-O 2.96Å; I49-S298 CarbonylContact O-C 3.44Å; I49-S298 WeakPolarHBondContact O-CA 3.25Å; I49-S298 WeakPolarHBondContact O-CB 3.42Å; I49-S298 PolarHBondContact O-N 3.05Å; I49-A299 HydrophobicContact CG2-CB 4.33Å; I49-A299 PolarHBondContact O-N 2.97Å; I49-A299 VanDerWaalsContact O-N 3.12Å; I49-L307 HydrophobicContact CD1-CD2 3.62Å; I49-L307 HydrophobicContact CG2-CD2 4Å |
| 50 | G | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | trans | 94.8 | 114.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G52 G55 L73 | G50-G52 PolarHBondContact O-N 3.44Å; G50-G55 WeakPolarHBondContact O-CA 3Å; G50-L73 WeakPolarHBondContact CA-O 3.18Å; G50-L73 PolarHBondContact N-O 3.02Å | ||
| 51 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -84.2 | 27.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E74 G129 | G51-E74 WeakPolarHBondContact CA-OE2 3.47Å; G51-E74 PolarHBondContact N-OE2 3.27Å; G51-G129 CarbonylContact O-C 3.47Å; G51-G129 WeakPolarHBondContact O-CA 3.34Å; G51-G129 PolarHBondContact O-N 2.88Å | ||
| 52 | G | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -75.2 | -164.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G50 A54 G55 A56 | G50-G52 PolarHBondContact O-N 3.44Å; G52-A54 VanDerWaalsContact C-N 3.33Å; G52-A54 PolarHBondContact O-N 3.23Å; G52-G55 PolarHBondContact O-N 3.42Å; G52-A56 WeakPolarHBondContact O-CB 3.14Å; G52-A56 PolarHBondContact O-N 2.91Å |
| 53 | S | 98.7 | Very high | 98.7 | Very high | 13 Ų | 13 | 7.9 Ų | 7.9 | 9% | 0.091 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -55.6 | -42.3 | -169.5 | -49.8 | 0 | 0 | 0 | 0 | 114.6 | V57 T242 N586 | S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-T242 WeakPolarHBondContact CA-OG1 3.26Å; S53-N586 WeakPolarHBondContact CB-OD1 3.38Å; S53-N586 PolarHBondContact OG-OD1 2.77Å |
| 54 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 3% | 0.025 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -84.4 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G52 A56 V57 V58 V572 D573 V589 | G52-A54 VanDerWaalsContact C-N 3.33Å; G52-A54 PolarHBondContact O-N 3.23Å; A54-A56 VanDerWaalsContact C-N 3.29Å; A54-A56 PolarHBondContact O-N 3.13Å; A54-V57 WeakPolarHBondContact O-CB 3.4Å; A54-V57 PolarHBondContact O-N 3.13Å; A54-V57 VanDerWaalsContact O-N 3.1Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.18Å; A54-V572 HydrophobicContact CB-CG1 4.16Å; A54-V572 WeakPolarHBondContact CB-O 3.46Å; A54-D573 HydrophobicContact CB-CB 4.48Å; A54-V589 HydrophobicContact CB-CG1 3.58Å |
| 55 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.7 | -33.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G50 G52 V57 V58 A59 | G50-G55 WeakPolarHBondContact O-CA 3Å; G52-G55 PolarHBondContact O-N 3.42Å; G55-V57 PolarHBondContact O-N 3.23Å; G55-V58 PolarHBondContact O-N 3.43Å; G55-A59 VanDerWaalsContact O-CB 3.29Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 3.09Å |
| 56 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G52 A54 N60 F246 I247 | G52-A56 WeakPolarHBondContact O-CB 3.14Å; G52-A56 PolarHBondContact O-N 2.91Å; A54-A56 VanDerWaalsContact C-N 3.29Å; A54-A56 PolarHBondContact O-N 3.13Å; A56-N60 WeakPolarHBondContact O-CB 3.47Å; A56-N60 PolarHBondContact O-N 3.35Å; A56-F246 HydrophobicContact CB-CB 4.3Å; A56-I247 HydrophobicContact CB-CD1 4.02Å; A56-I247 HydrophobicContact CB-CG1 3.84Å; A56-I247 WeakPolarHBondContact O-CD1 3.33Å |
| 57 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | S53 A54 G55 A59 N60 R61 F246 I590 E594 | S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; A54-V57 WeakPolarHBondContact O-CB 3.4Å; A54-V57 PolarHBondContact O-N 3.13Å; A54-V57 VanDerWaalsContact O-N 3.1Å; G55-V57 PolarHBondContact O-N 3.23Å; V57-A59 PolarHBondContact O-N 3.28Å; V57-N60 WeakPolarHBondContact O-CB 3.5Å; V57-N60 PolarHBondContact O-N 3.2Å; V57-R61 HydrophobicContact CG1-CG 4.12Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 2.9Å; V57-F246 HydrophobicContact CB-CD1 4.35Å; V57-F246 HydrophobicContact CB-CE1 4.47Å; V57-F246 HydrophobicContact CG1-CD1 4.41Å; V57-F246 HydrophobicContact CG1-CE1 4.24Å; V57-F246 HydrophobicContact CG2-CD1 3.89Å; V57-F246 HydrophobicContact CG2-CD2 3.87Å; V57-F246 HydrophobicContact CG2-CE1 3.81Å; V57-F246 HydrophobicContact CG2-CE2 3.82Å; V57-F246 HydrophobicContact CG2-CG 3.91Å; V57-F246 HydrophobicContact CG2-CZ 3.78Å; V57-I590 HydrophobicContact CG2-CB 4.5Å; V57-I590 HydrophobicContact CG2-CG2 3.93Å; V57-E594 HydrophobicContact CG1-CB 4.34Å; V57-E594 HydrophobicContact CG1-CG 3.73Å |
| 58 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | V48 A54 G55 N60 R61 L62 I296 V572 A596 S597 I600 | V48-V58 HydrophobicContact CG2-CG1 4.14Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.18Å; G55-V58 PolarHBondContact O-N 3.43Å; V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 PolarHBondContact O-N 3.02Å; V58-R61 PolarHBondContact O-N 3.27Å; V58-L62 HydrophobicContact CG1-CD1 3.5Å; V58-L62 VanDerWaalsContact CG1-CD1 3.5Å; V58-L62 HydrophobicContact CG1-CG 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.37Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.01Å; V58-I296 HydrophobicContact CG1-CG1 4.26Å; V58-I296 HydrophobicContact CG1-CG2 4.06Å; V58-V572 HydrophobicContact CG2-CB 4.43Å; V58-V572 HydrophobicContact CG2-CG1 3.89Å; V58-A596 HydrophobicContact CG2-CB 4.41Å; V58-S597 WeakPolarHBondContact CA-OG 3.34Å; V58-I600 HydrophobicContact CG1-CD1 4.35Å |
| 59 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V48 G55 V57 S63 V70 L72 I247 F256 | V48-A59 HydrophobicContact CG2-CB 4.34Å; G55-A59 VanDerWaalsContact O-CB 3.29Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 3.09Å; V57-A59 PolarHBondContact O-N 3.28Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.4Å; A59-S63 PolarHBondContact O-OG 2.94Å; A59-V70 HydrophobicContact CB-CG1 4.45Å; A59-L72 HydrophobicContact CB-CB 4.32Å; A59-L72 HydrophobicContact CB-CD1 4.44Å; A59-L72 HydrophobicContact CB-CD2 4.28Å; A59-I247 HydrophobicContact CB-CD1 4.23Å; A59-F256 HydrophobicContact CB-CE2 3.76Å; A59-F256 HydrophobicContact CB-CZ 3.94Å |
| 60 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -55.2 | 172.7 | 176.4 | -61.7 | 0 | 0 | 0 | 111.2 | A56 V57 V58 L62 S63 E64 F246 V250 R253 | A56-N60 WeakPolarHBondContact O-CB 3.47Å; A56-N60 PolarHBondContact O-N 3.35Å; V57-N60 WeakPolarHBondContact O-CB 3.5Å; V57-N60 PolarHBondContact O-N 3.2Å; V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 PolarHBondContact O-N 3.02Å; N60-L62 PolarHBondContact O-N 3.29Å; N60-S63 PolarHBondContact O-N 2.88Å; N60-S63 PolarHBondContact O-OG 2.83Å; N60-E64 PolarHBondContact O-N 3.07Å; N60-F246 HydrophobicContact CB-CB 4.1Å; N60-F246 HydrophobicContact CB-CD1 4.49Å; N60-F246 WeakPolarHBondContact CB-O 3.27Å; N60-F246 PolarHBondContact ND2-O 3.19Å; N60-V250 HydrophobicContact CB-CG2 4.47Å; N60-V250 VanDerWaalsContact ND2-CG1 3.33Å; N60-V250 WeakPolarHBondContact ND2-CG1 3.43Å; N60-R253 PolarHBondContact O-NH1 2.86Å |
| 61 | R | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 26 Ų | 26 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | -171.6 | -64.3 | -53.5 | -173.2 | -179.1 | -2.7 | 112.6 | V57 V58 S63 E64 E594 S597 K601 | V57-R61 HydrophobicContact CG1-CG 4.12Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 2.9Å; V58-R61 PolarHBondContact O-N 3.27Å; R61-S63 VanDerWaalsContact C-N 3.34Å; R61-E64 VanDerWaalsContact CD-OE1 3.23Å; R61-E64 WeakPolarHBondContact CD-OE1 3.46Å; R61-E64 IonicContact CZ-OE1 2.69Å; R61-E64 IonicContact NE-OE1 3.86Å; R61-E64 IonicContact NH1-OE1 3.23Å; R61-E64 PolarHBondContact NH1-OE1 3.06Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.97Å; R61-E594 IonicContact CZ-OE1 2.68Å; R61-E594 IonicContact CZ-OE2 2.72Å; R61-E594 VanDerWaalsContact NE-CD 3.29Å; R61-E594 IonicContact NE-OE1 3.24Å; R61-E594 PolarHBondContact NE-OE1 3.21Å; R61-E594 IonicContact NE-OE2 3.89Å; R61-E594 PolarHBondContact NE-OE2 2.89Å; R61-E594 IonicContact NH2-OE1 3.63Å; R61-E594 PolarHBondContact NH2-OE1 2.72Å; R61-E594 IonicContact NH2-OE2 3.68Å; R61-S597 WeakPolarHBondContact CB-OG 3.31Å; R61-K601 WeakPolarHBondContact O-CE 3.46Å; R61-K601 PolarHBondContact O-NZ 3.16Å |
| 62 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | 176.9 | -63.7 | -178.2 | 0 | 0 | 0 | 111.7 | F46 V58 N60 E64 V65 W68 V70 I296 I600 | F46-L62 HydrophobicContact CB-CD1 4.01Å; F46-L62 HydrophobicContact CD1-CD1 3.99Å; F46-L62 HydrophobicContact CD2-CD1 4.16Å; F46-L62 HydrophobicContact CG-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CD1 3.5Å; V58-L62 VanDerWaalsContact CG1-CD1 3.5Å; V58-L62 HydrophobicContact CG1-CG 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.37Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.01Å; N60-L62 PolarHBondContact O-N 3.29Å; L62-E64 PolarHBondContact O-N 3.39Å; L62-V65 PolarHBondContact O-N 2.65Å; L62-W68 HydrophobicContact CB-CE3 4.42Å; L62-W68 HydrophobicContact CD2-CE3 4.28Å; L62-W68 HydrophobicContact CD2-CZ3 3.73Å; L62-V70 HydrophobicContact CB-CG2 3.83Å; L62-I296 HydrophobicContact CD1-CG1 4.5Å; L62-I600 HydrophobicContact CD1-CD1 4.47Å; L62-I600 HydrophobicContact CD2-CB 4.06Å; L62-I600 HydrophobicContact CD2-CD1 4.49Å; L62-I600 HydrophobicContact CD2-CG2 3.61Å |
| 63 | S | 98.2 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.5 | -10.1 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | A59 N60 R61 V65 R253 N255 | A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.4Å; A59-S63 PolarHBondContact O-OG 2.94Å; N60-S63 PolarHBondContact O-N 2.88Å; N60-S63 PolarHBondContact O-OG 2.83Å; R61-S63 VanDerWaalsContact C-N 3.34Å; S63-V65 PolarHBondContact O-N 3.47Å; S63-R253 PolarHBondContact OG-NH1 3.33Å; S63-N255 PolarHBondContact O-ND2 3.12Å |
| 64 | E | 98 | Very high | 98.4 | Very high | 69 Ų | 69 | 25.2 Ų | 25.2 | 32% | 0.322 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.7 | 168.2 | -65.2 | 169.7 | 166.9 | 0 | 0 | 111.6 | N60 R61 L62 R66 K601 | N60-E64 PolarHBondContact O-N 3.07Å; R61-E64 VanDerWaalsContact CD-OE1 3.23Å; R61-E64 WeakPolarHBondContact CD-OE1 3.46Å; R61-E64 IonicContact CZ-OE1 2.69Å; R61-E64 IonicContact NE-OE1 3.86Å; R61-E64 IonicContact NH1-OE1 3.23Å; R61-E64 PolarHBondContact NH1-OE1 3.06Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.97Å; L62-E64 PolarHBondContact O-N 3.39Å; E64-R66 PolarHBondContact O-N 2.89Å; E64-K601 IonicContact OE2-NZ 3.49Å; E64-K601 PolarHBondContact OE2-NZ 3.43Å |
| 65 | V | 98.1 | Very high | 98.3 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -81.5 | 98.7 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | L62 S63 N67 W68 N255 V606 | L62-V65 PolarHBondContact O-N 2.65Å; S63-V65 PolarHBondContact O-N 3.47Å; V65-N67 PolarHBondContact O-N 2.98Å; V65-W68 HydrophobicContact CB-CB 4.31Å; V65-W68 HydrophobicContact CB-CD2 3.64Å; V65-W68 HydrophobicContact CB-CE3 3.61Å; V65-W68 HydrophobicContact CB-CG 3.96Å; V65-W68 HydrophobicContact CB-CZ3 4.29Å; V65-W68 HydrophobicContact CG1-CB 4.44Å; V65-W68 HydrophobicContact CG1-CD2 3.59Å; V65-W68 HydrophobicContact CG1-CE3 4.05Å; V65-W68 HydrophobicContact CG1-CG 3.75Å; V65-W68 HydrophobicContact CG1-CZ2 4.48Å; V65-W68 HydrophobicContact CG2-CD2 4.12Å; V65-W68 HydrophobicContact CG2-CE3 3.69Å; V65-W68 HydrophobicContact CG2-CH2 4.45Å; V65-W68 HydrophobicContact CG2-CZ3 3.86Å; V65-W68 WeakPolarHBondContact O-CB 3.48Å; V65-W68 PolarHBondContact O-N 2.95Å; V65-N255 PolarHBondContact O-ND2 3.42Å; V65-V606 HydrophobicContact CG1-CG2 4.22Å; V65-V606 HydrophobicContact CG2-CG1 4.07Å; V65-V606 HydrophobicContact CG2-CG2 4.13Å |
| 66 | R | 95.9 | Very high | 98.3 | Very high | 221 Ų | 221 | 26 Ų | 26 | 83% | 0.834 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.8 | -172.1 | -63.6 | -176.8 | -179.6 | 177.3 | 0.4 | 115.1 | E64 W68 | E64-R66 PolarHBondContact O-N 2.89Å; R66-W68 VanDerWaalsContact C-N 3.31Å |
| 67 | N | 96.1 | Very high | 98.2 | Very high | 146 Ų | 146 | 26.6 Ų | 26.6 | 78% | 0.781 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -4.5 | 178.9 | -69.1 | -1.5 | 0 | 0 | 0 | 113.4 | V65 | V65-N67 PolarHBondContact O-N 2.98Š|
| 68 | W | 98.2 | Very high | 98 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | trans | -102 | 134.6 | 177.2 | -64.9 | -10 | 0 | 0 | 0 | 111.1 | D45 F46 L62 V65 R66 N255 R293 K601 W604 V606 | D45-W68 HydrophobicContact CB-CB 4.32Å; D45-W68 VanDerWaalsContact OD2-CA 3.31Å; D45-W68 WeakPolarHBondContact OD2-CA 3.3Å; F46-W68 HydrophobicContact CD2-CD2 4.36Å; F46-W68 HydrophobicContact CD2-CE3 4.11Å; F46-W68 HydrophobicContact CE2-CB 4.46Å; F46-W68 AromaticContact CE2-CD2 3.56Å; F46-W68 HydrophobicContact CE2-CD2 3.56Å; F46-W68 AromaticContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CG 4.06Å; F46-W68 HydrophobicContact CE2-CH2 4.08Å; F46-W68 HydrophobicContact CE2-CZ2 4.28Å; F46-W68 AromaticContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CZ-CD2 4.45Å; F46-W68 HydrophobicContact CZ-CE3 4.18Å; F46-W68 HydrophobicContact CZ-CH2 4.08Å; F46-W68 HydrophobicContact CZ-CZ2 4.42Å; F46-W68 AromaticContact CZ-CZ3 4Å; F46-W68 HydrophobicContact CZ-CZ3 4Å; L62-W68 HydrophobicContact CB-CE3 4.42Å; L62-W68 HydrophobicContact CD2-CE3 4.28Å; L62-W68 HydrophobicContact CD2-CZ3 3.73Å; V65-W68 HydrophobicContact CB-CB 4.31Å; V65-W68 HydrophobicContact CB-CD2 3.64Å; V65-W68 HydrophobicContact CB-CE3 3.61Å; V65-W68 HydrophobicContact CB-CG 3.96Å; V65-W68 HydrophobicContact CB-CZ3 4.29Å; V65-W68 HydrophobicContact CG1-CB 4.44Å; V65-W68 HydrophobicContact CG1-CD2 3.59Å; V65-W68 HydrophobicContact CG1-CE3 4.05Å; V65-W68 HydrophobicContact CG1-CG 3.75Å; V65-W68 HydrophobicContact CG1-CZ2 4.48Å; V65-W68 HydrophobicContact CG2-CD2 4.12Å; V65-W68 HydrophobicContact CG2-CE3 3.69Å; V65-W68 HydrophobicContact CG2-CH2 4.45Å; V65-W68 HydrophobicContact CG2-CZ3 3.86Å; V65-W68 WeakPolarHBondContact O-CB 3.48Å; V65-W68 PolarHBondContact O-N 2.95Å; R66-W68 VanDerWaalsContact C-N 3.31Å; W68-N255 VanDerWaalsContact O-CB 3.27Å; W68-N255 WeakPolarHBondContact O-CB 3.16Å; W68-N255 PolarHBondContact O-ND2 3.09Å; W68-R293 VanDerWaalsContact CE2-NH1 3.3Å; W68-R293 VanDerWaalsContact CZ2-NH1 3.26Å; W68-K601 HydrophobicContact CH2-CG 4.14Å; W68-K601 HydrophobicContact CZ3-CG 3.96Å; W68-W604 HydrophobicContact CH2-CB 3.84Å; W68-W604 HydrophobicContact CZ2-CB 3.61Å; W68-W604 HydrophobicContact CZ2-CG 4.46Å; W68-V606 HydrophobicContact CH2-CB 4.5Å; W68-V606 HydrophobicContact CH2-CG2 3.48Å; W68-V606 VanDerWaalsContact CH2-CG2 3.48Å; W68-V606 HydrophobicContact CZ2-CG2 3.27Å; W68-V606 HydrophobicContact CZ3-CG2 4.31Å | ||
| 69 | T | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 14% | 0.135 | 13% | 0.134 | C | C | . | . | trans | -94.5 | 125.4 | 170.3 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | Y44 D45 F46 N255 | Y44-T69 WeakPolarHBondContact CA-OG1 3.17Å; D45-T69 WeakPolarHBondContact CB-O 3.28Å; D45-T69 PolarHBondContact N-O 2.93Å; D45-T69 PolarHBondContact N-OG1 3.22Å; D45-T69 PolarHBondContact OD2-N 3.35Å; D45-T69 PolarHBondContact OD2-OG1 3.46Å; F46-T69 PolarHBondContact N-O 2.85Å; F46-T69 VanDerWaalsContact N-O 3.13Å; T69-N255 WeakPolarHBondContact CA-O 3.5Å | ||
| 70 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.7 | -177.3 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | F46 V48 A59 L62 N255 F256 D257 | F46-V70 WeakPolarHBondContact O-CA 3.44Å; V48-V70 HydrophobicContact CG2-CG1 4.21Å; A59-V70 HydrophobicContact CB-CG1 4.45Å; L62-V70 HydrophobicContact CB-CG2 3.83Å; V70-N255 PolarHBondContact N-O 3.4Å; V70-F256 HydrophobicContact CB-CD2 4.2Å; V70-F256 HydrophobicContact CG1-CD2 4.19Å; V70-F256 HydrophobicContact CG1-CE2 4.46Å; V70-F256 WeakPolarHBondContact O-CA 3.49Å; V70-D257 PolarHBondContact O-N 3.5Å |
| 71 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.6 | 171.1 | 177.2 | 63.1 | 0 | 0 | 0 | 109.6 | I40 Y44 F46 V47 V48 L73 D257 L259 V289 | I40-L71 HydrophobicContact CD1-CD1 3.96Å; Y44-L71 HydrophobicContact CD1-CB 3.68Å; Y44-L71 HydrophobicContact CD2-CB 3.82Å; Y44-L71 HydrophobicContact CD2-CD2 3.97Å; Y44-L71 HydrophobicContact CE1-CB 3.77Å; Y44-L71 HydrophobicContact CE2-CB 3.91Å; Y44-L71 HydrophobicContact CE2-CD1 4.49Å; Y44-L71 HydrophobicContact CE2-CD2 3.71Å; Y44-L71 HydrophobicContact CE2-CG 4.26Å; Y44-L71 HydrophobicContact CG-CB 3.71Å; F46-L71 PolarHBondContact O-N 2.9Å; V47-L71 CarbonylContact C-O 3.56Å; V47-L71 WeakPolarHBondContact CA-O 3.33Å; V47-L71 HydrophobicContact CG2-CB 4.48Å; V48-L71 PolarHBondContact N-O 2.89Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.27Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L71-D257 WeakPolarHBondContact CA-O 3.5Å; L71-D257 HydrophobicContact CD1-CB 3.84Å; L71-L259 HydrophobicContact CD1-CB 4.19Å; L71-V289 HydrophobicContact CD2-CB 4.28Å; L71-V289 HydrophobicContact CD2-CG1 3.98Å; L71-V289 HydrophobicContact CD2-CG2 3.84Å |
| 72 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.6 | 168.6 | 178 | 62.3 | 0 | 0 | 0 | 109.8 | V48 A59 L128 I247 F256 D257 V258 L259 | V48-L72 HydrophobicContact CB-CD1 3.85Å; V48-L72 HydrophobicContact CG1-CD1 3.74Å; V48-L72 WeakPolarHBondContact O-CA 3.47Å; A59-L72 HydrophobicContact CB-CB 4.32Å; A59-L72 HydrophobicContact CB-CD1 4.44Å; A59-L72 HydrophobicContact CB-CD2 4.28Å; L72-L128 HydrophobicContact CD2-CD1 3.86Å; L72-I247 HydrophobicContact CD2-CD1 4.07Å; L72-I247 HydrophobicContact CD2-CG1 4.39Å; L72-F256 HydrophobicContact CB-CE2 3.85Å; L72-F256 HydrophobicContact CB-CZ 4.27Å; L72-F256 HydrophobicContact CD2-CZ 4.32Å; L72-D257 PolarHBondContact N-O 2.84Å; L72-V258 HydrophobicContact CB-CG2 4.43Å; L72-V258 HydrophobicContact CD2-CG1 4.36Å; L72-V258 HydrophobicContact CD2-CG2 4.41Å; L72-L259 PolarHBondContact O-N 3.42Å |
| 73 | L | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.7 | 173.4 | -61.5 | -179.9 | 0 | 0 | 0 | 109.7 | V47 V48 G50 L71 L259 A262 V278 Y280 V289 | V47-L73 HydrophobicContact CG1-CD1 3.81Å; V47-L73 HydrophobicContact CG1-CG 4.11Å; V48-L73 PolarHBondContact O-N 3.2Å; G50-L73 WeakPolarHBondContact CA-O 3.18Å; G50-L73 PolarHBondContact N-O 3.02Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.27Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L73-L259 HydrophobicContact CD2-CB 3.97Å; L73-L259 HydrophobicContact CD2-CD2 3.92Å; L73-A262 HydrophobicContact CD2-CB 4.01Å; L73-V278 HydrophobicContact CD1-CG1 3.97Å; L73-Y280 HydrophobicContact CD1-CD1 4.19Å; L73-Y280 HydrophobicContact CD1-CG 4.27Å; L73-V289 HydrophobicContact CD1-CG1 4.47Å |
| 74 | E | 98.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -117.7 | 129.3 | 175.3 | 176.4 | 47.9 | -125.6 | 0 | 0 | 110.3 | G51 G76 V127 L128 L259 L260 H261 A262 | G51-E74 WeakPolarHBondContact CA-OE2 3.47Å; G51-E74 PolarHBondContact N-OE2 3.27Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 PolarHBondContact OE1-N 2.73Å; E74-V127 PolarHBondContact OE1-N 3.12Å; E74-L128 HydrophobicContact CG-CB 4.44Å; E74-L259 PolarHBondContact N-O 2.81Å; E74-L260 HydrophobicContact CB-CD2 4.06Å; E74-L260 HydrophobicContact CG-CD2 4.24Å; E74-L260 CarbonylContact O-C 3.54Å; E74-H261 PolarHBondContact O-N 2.9Å; E74-A262 CarbonylContact C-O 3Å; E74-A262 PolarHBondContact O-N 2.92Å | ||
| 75 | A | 98.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -72.1 | -27.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W99 K126 E263 | A75-W99 HydrophobicContact CB-CH2 3.75Å; A75-W99 HydrophobicContact CB-CZ2 3.52Å; A75-K126 HydrophobicContact CB-CG 4.46Å; A75-E263 HydrophobicContact CB-CB 3.9Å; A75-E263 HydrophobicContact CB-CG 4.08Å |
| 76 | G | 98 | Very high | 94.9 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -89.8 | -174.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E74 K126 H261 | E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 PolarHBondContact OE1-N 2.73Å; G76-K126 VanDerWaalsContact CA-O 3.27Å; G76-K126 WeakPolarHBondContact CA-O 3.39Å; G76-H261 PolarHBondContact O-N 2.77Å |
| 77 | G | 96.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -89.2 | -160.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V127 L128 H261 | G77-V127 CarbonylContact O-C 3.39Å; G77-V127 WeakPolarHBondContact O-CA 3.28Å; G77-V127 WeakPolarHBondContact O-CG2 3.19Å; G77-L128 PolarHBondContact O-N 2.71Å; G77-H261 VanDerWaalsContact CA-CE1 3.44Å; G77-H261 WeakPolarHBondContact CA-CE1 3.47Å; G77-H261 PolarHBondContact N-CE1 3.47Å |
| 78 | D | 95.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 23.7 Ų | 23.7 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | trans | -89 | 167.4 | 172.9 | -152.1 | -21.4 | 0 | 0 | 0 | 111.2 | K33 V34 L260 | K33-D78 WeakPolarHBondContact CA-OD2 3.14Å; K33-D78 VanDerWaalsContact CB-OD2 3.23Å; K33-D78 WeakPolarHBondContact CB-OD2 3.29Å; K33-D78 HydrophobicContact CD-CB 4.38Å; K33-D78 WeakPolarHBondContact CG-OD2 3.4Å; V34-D78 PolarHBondContact N-OD2 2.95Å; D78-L260 HydrophobicContact CB-CD1 4.04Å | ||
| 79 | E | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | trans | -59.8 | 157.1 | 173.3 | -66.5 | 177 | -111.9 | 0 | 0 | 112 | K33 V127 V133 S241 K244 R248 | K33-E79 WeakPolarHBondContact CE-O 3.48Å; K33-E79 PolarHBondContact NZ-O 3.35Å; E79-V127 HydrophobicContact CG-CG2 4.17Å; E79-V133 HydrophobicContact CG-CG1 3.97Å; E79-V133 HydrophobicContact CG-CG2 3.68Å; E79-S241 PolarHBondContact OE1-OG 2.74Å; E79-S241 WeakPolarHBondContact OE2-CB 3.35Å; E79-S241 PolarHBondContact OE2-OG 3.29Å; E79-S241 VanDerWaalsContact OE2-OG 3.06Å; E79-K244 WeakPolarHBondContact OE2-CE 3.33Å; E79-R248 IonicContact OE1-NH2 2.7Å | ||
| 80 | T | 90 | Very high | 93.1 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 30% | 0.301 | 14% | 0.143 | S | C | . | . | trans | -115.6 | 161.6 | 179.8 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | I82 S83 D84 L97 | T80-I82 PolarHBondContact O-N 3.49Å; T80-I82 VanDerWaalsContact O-N 3.15Å; T80-S83 PolarHBondContact N-OG 2.97Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact O-OG 3.34Å; T80-S83 PolarHBondContact OG1-N 3.01Å; T80-S83 PolarHBondContact OG1-OG 3.13Å; T80-D84 PolarHBondContact O-N 3.48Å; T80-L97 HydrophobicContact CG2-CD1 4.42Å; T80-L97 HydrophobicContact CG2-CD2 4.48Å | ||
| 81 | E | 84.9 | Confident | 92.6 | Very high | 136 Ų | 136 | 27.3 Ų | 27.3 | 64% | 0.636 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.4 | 175.2 | -50.7 | -47.8 | 141.1 | 0 | 0 | 112.5 | D84 | E81-D84 WeakPolarHBondContact O-CB 3.42Å; E81-D84 PolarHBondContact O-N 3.26Å |
| 82 | I | 86.8 | Confident | 92.3 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 49% | 0.492 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38.4 | 176.4 | -59.7 | 175.9 | 0 | 0 | 0 | 110.8 | T80 D84 V85 L88 L92 | T80-I82 PolarHBondContact O-N 3.49Å; T80-I82 VanDerWaalsContact O-N 3.15Å; I82-D84 PolarHBondContact O-N 3.08Å; I82-V85 PolarHBondContact O-N 3.2Å; I82-L88 HydrophobicContact CG2-CB 4.33Å; I82-L88 HydrophobicContact CG2-CD1 4.01Å; I82-L92 HydrophobicContact CG2-CD2 4.04Å |
| 83 | S | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.3 | 179.7 | 51 | 0 | 0 | 0 | 0 | 113.8 | T80 V85 R239 | T80-S83 PolarHBondContact N-OG 2.97Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact O-OG 3.34Å; T80-S83 PolarHBondContact OG1-N 3.01Å; T80-S83 PolarHBondContact OG1-OG 3.13Å; S83-V85 VanDerWaalsContact C-N 3.31Å; S83-R239 WeakPolarHBondContact O-CD 3.25Å; S83-R239 PolarHBondContact O-NE 3.38Å; S83-R239 VanDerWaalsContact O-NE 3.08Å |
| 84 | D | 90 | Very high | 91.8 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.7 | 177.1 | -74.1 | 16.3 | 0 | 0 | 0 | 112.3 | T80 E81 I82 P86 A238 R239 K244 Y369 | T80-D84 PolarHBondContact O-N 3.48Å; E81-D84 WeakPolarHBondContact O-CB 3.42Å; E81-D84 PolarHBondContact O-N 3.26Å; I82-D84 PolarHBondContact O-N 3.08Å; D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.23Å; D84-A238 WeakPolarHBondContact O-CA 3.26Å; D84-R239 PolarHBondContact O-N 3.03Å; D84-K244 VanDerWaalsContact OD1-CE 3.23Å; D84-K244 WeakPolarHBondContact OD1-CE 3.35Å; D84-K244 IonicContact OD1-NZ 3.48Å; D84-K244 PolarHBondContact OD1-NZ 3.5Å; D84-K244 IonicContact OD2-NZ 3.68Å; D84-K244 PolarHBondContact OD2-NZ 3.14Å; D84-Y369 PolarHBondContact O-OH 2.75Å |
| 85 | V | 91 | Very high | 91.7 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | trans | -82 | 113.6 | -174.8 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | I82 S83 A87 L88 Y369 M377 | I82-V85 PolarHBondContact O-N 3.2Å; S83-V85 VanDerWaalsContact C-N 3.31Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-L88 HydrophobicContact CB-CB 4.26Å; V85-L88 HydrophobicContact CB-CD1 3.93Å; V85-L88 HydrophobicContact CB-CG 4.01Å; V85-L88 HydrophobicContact CG1-CD1 4.07Å; V85-L88 HydrophobicContact CG1-CG 3.9Å; V85-L88 HydrophobicContact CG2-CD1 4.21Å; V85-L88 PolarHBondContact O-N 3.24Å; V85-L88 VanDerWaalsContact O-N 3.14Å; V85-Y369 HydrophobicContact CB-CE1 4.46Å; V85-Y369 HydrophobicContact CG1-CE1 4.26Å; V85-Y369 HydrophobicContact CG1-CE2 4.46Å; V85-Y369 HydrophobicContact CG2-CE1 3.74Å; V85-M377 HydrophobicContact CG1-CB 3.89Å; V85-M377 HydrophobicContact CG1-CE 4.33Å; V85-M377 HydrophobicContact CG1-SD 4.37Å | ||
| 86 | P | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -54.1 | -44.9 | -177.3 | -32.8 | 40.8 | 0 | 0 | 0 | 114.6 | D84 L88 A89 M137 I234 G237 M377 T378 F379 | D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.23Å; P86-L88 PolarHBondContact O-N 3.49Å; P86-L88 VanDerWaalsContact O-N 3.11Å; P86-A89 PolarHBondContact O-N 2.98Å; P86-M137 HydrophobicContact CB-CE 3.55Å; P86-M137 HydrophobicContact CB-SD 3.9Å; P86-M137 HydrophobicContact CG-CE 4.34Å; P86-M137 HydrophobicContact CG-SD 4.03Å; P86-I234 HydrophobicContact CG-CD1 4.36Å; P86-G237 WeakPolarHBondContact CD-O 3.31Å; P86-G237 WeakPolarHBondContact CG-O 3.39Å; P86-M377 WeakPolarHBondContact CD-O 3.05Å; P86-T378 WeakPolarHBondContact CB-O 3.26Å; P86-F379 CarbonylContact C-O 3.54Å; P86-F379 WeakPolarHBondContact CB-O 3.34Å |
| 87 | A | 88.6 | Confident | 91.5 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -68.6 | -12.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V85 M377 F379 | V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-M377 HydrophobicContact CB-CB 4.47Å; A87-M377 WeakPolarHBondContact CB-O 3.48Å; A87-M377 PolarHBondContact N-O 3Å; A87-M377 VanDerWaalsContact N-O 3.1Å; A87-F379 WeakPolarHBondContact CA-O 3.01Å; A87-F379 WeakPolarHBondContact CB-O 3.41Å; A87-F379 PolarHBondContact N-O 3.36Å |
| 88 | L | 87.4 | Confident | 91.6 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -98.7 | 8.7 | -179 | -58.5 | -176.7 | 0 | 0 | 0 | 113.4 | I82 V85 P86 G90 Y91 | I82-L88 HydrophobicContact CG2-CB 4.33Å; I82-L88 HydrophobicContact CG2-CD1 4.01Å; V85-L88 HydrophobicContact CB-CB 4.26Å; V85-L88 HydrophobicContact CB-CD1 3.93Å; V85-L88 HydrophobicContact CB-CG 4.01Å; V85-L88 HydrophobicContact CG1-CD1 4.07Å; V85-L88 HydrophobicContact CG1-CG 3.9Å; V85-L88 HydrophobicContact CG2-CD1 4.21Å; V85-L88 PolarHBondContact O-N 3.24Å; V85-L88 VanDerWaalsContact O-N 3.14Å; P86-L88 PolarHBondContact O-N 3.49Å; P86-L88 VanDerWaalsContact O-N 3.11Å; L88-G90 PolarHBondContact O-N 3.36Å; L88-G90 VanDerWaalsContact O-N 3.13Å; L88-Y91 HydrophobicContact CB-CD2 4.31Å; L88-Y91 HydrophobicContact CD2-CD2 3.85Å; L88-Y91 HydrophobicContact CD2-CE2 4.02Å; L88-Y91 WeakPolarHBondContact O-CA 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.19Å; L88-Y91 PolarHBondContact O-N 3Å |
| 89 | A | 89.1 | Confident | 91.7 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -51 | -40.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P86 Y91 L92 | P86-A89 PolarHBondContact O-N 2.98Å; A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.76Å; A89-L92 WeakPolarHBondContact O-CB 3.37Å; A89-L92 PolarHBondContact O-N 2.99Å |
| 90 | G | 86.5 | Confident | 91.9 | Very high | 23 Ų | 23 | 44 Ų | 44 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -66.3 | -21.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L88 L92 | L88-G90 PolarHBondContact O-N 3.36Å; L88-G90 VanDerWaalsContact O-N 3.13Å; G90-L92 VanDerWaalsContact C-N 3.31Å |
| 91 | Y | 87.1 | Confident | 92.2 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -82.7 | -8.9 | 176.7 | -67.3 | -91.8 | 0 | 0 | 0 | 113.1 | L88 A89 T95 Q361 Q418 | L88-Y91 HydrophobicContact CB-CD2 4.31Å; L88-Y91 HydrophobicContact CD2-CD2 3.85Å; L88-Y91 HydrophobicContact CD2-CE2 4.02Å; L88-Y91 WeakPolarHBondContact O-CA 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.19Å; L88-Y91 PolarHBondContact O-N 3Å; A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.76Å; Y91-T95 WeakPolarHBondContact O-CG2 3.46Å; Y91-Q361 PolarHBondContact OH-NE2 3.1Å; Y91-Q418 HydrophobicContact CD1-CB 4.49Å; Y91-Q418 HydrophobicContact CD1-CG 3.88Å; Y91-Q418 HydrophobicContact CE1-CB 3.93Å; Y91-Q418 HydrophobicContact CE1-CG 3.83Å; Y91-Q418 HydrophobicContact CG-CG 4.38Å |
| 92 | L | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -82.1 | -22.3 | 176.9 | -52.4 | 176.5 | 0 | 0 | 0 | 112.1 | I82 A89 G90 T95 L97 V133 L134 | I82-L92 HydrophobicContact CG2-CD2 4.04Å; A89-L92 WeakPolarHBondContact O-CB 3.37Å; A89-L92 PolarHBondContact O-N 2.99Å; G90-L92 VanDerWaalsContact C-N 3.31Å; L92-T95 WeakPolarHBondContact O-CG2 3.38Å; L92-T95 PolarHBondContact O-OG1 3.24Å; L92-L97 HydrophobicContact CD2-CD1 4.11Å; L92-V133 WeakPolarHBondContact CD1-O 3.45Å; L92-L134 HydrophobicContact CB-CG 4.08Å |
| 93 | Q | 94.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 151.3 | 175.6 | -59.4 | -179.5 | 25.3 | 0 | 0 | 110.6 | T95 P123 I422 | Q93-T95 PolarHBondContact O-N 3.08Å; Q93-T95 VanDerWaalsContact O-N 3.14Å; Q93-P123 HydrophobicContact CB-CB 4.35Å; Q93-P123 HydrophobicContact CG-CB 3.81Å; Q93-P123 HydrophobicContact CG-CG 4.12Å; Q93-I422 HydrophobicContact CB-CB 4.44Å; Q93-I422 HydrophobicContact CB-CG2 4.08Å |
| 94 | L | 94.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 34% | 0.335 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 8.8 | -176.6 | -49 | 177.6 | 0 | 0 | 0 | 115 | D98 K100 F121 I422 | L94-D98 PolarHBondContact N-OD2 3.36Å; L94-K100 VanDerWaalsContact O-CE 3.28Å; L94-K100 WeakPolarHBondContact O-CE 3.17Å; L94-K100 PolarHBondContact O-NZ 2.65Å; L94-F121 HydrophobicContact CD1-CD2 4.42Å; L94-F121 HydrophobicContact CD1-CE2 3.99Å; L94-F121 HydrophobicContact CD2-CD2 3.77Å; L94-F121 HydrophobicContact CD2-CE2 3.71Å; L94-F121 HydrophobicContact CG-CE2 4.45Å; L94-I422 HydrophobicContact CD1-CG2 4.19Å |
| 95 | T | 95.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 37 Ų | 37 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -97.7 | -179.4 | 173.3 | 76.2 | 0 | 0 | 0 | 0 | 111.7 | Y91 L92 Q93 L97 D98 K100 | Y91-T95 WeakPolarHBondContact O-CG2 3.46Å; L92-T95 WeakPolarHBondContact O-CG2 3.38Å; L92-T95 PolarHBondContact O-OG1 3.24Å; Q93-T95 PolarHBondContact O-N 3.08Å; Q93-T95 VanDerWaalsContact O-N 3.14Å; T95-L97 PolarHBondContact O-N 3.09Å; T95-L97 PolarHBondContact OG1-N 2.93Å; T95-D98 PolarHBondContact O-N 3.41Å; T95-K100 VanDerWaalsContact C-CE 3.47Å; T95-K100 WeakPolarHBondContact O-CE 3.46Å |
| 96 | E | 95.7 | Very high | 94 | Very high | 144 Ų | 144 | 37.2 Ų | 37.2 | 67% | 0.673 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.2 | 174.4 | -62.6 | -53.2 | 110.5 | 0 | 0 | 114 | D98 K100 | E96-D98 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE1-NZ 3Å; E96-K100 PolarHBondContact OE1-NZ 3.13Å |
| 97 | L | 97.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.5 | 173 | -53.5 | 180 | 0 | 0 | 0 | 112.6 | T80 L92 T95 G125 K126 V127 L134 | T80-L97 HydrophobicContact CG2-CD1 4.42Å; T80-L97 HydrophobicContact CG2-CD2 4.48Å; L92-L97 HydrophobicContact CD2-CD1 4.11Å; T95-L97 PolarHBondContact O-N 3.09Å; T95-L97 PolarHBondContact OG1-N 2.93Å; L97-G125 CarbonylContact O-C 3.14Å; L97-G125 WeakPolarHBondContact O-CA 3.16Å; L97-K126 PolarHBondContact O-N 2.74Å; L97-V127 HydrophobicContact CB-CB 4.5Å; L97-V127 HydrophobicContact CD2-CB 3.95Å; L97-V127 HydrophobicContact CD2-CG2 3.82Å; L97-L134 HydrophobicContact CB-CD1 4.4Å |
| 98 | D | 97.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -115.5 | 137.6 | -177 | -177.2 | 11.7 | 0 | 0 | 0 | 110.4 | L94 T95 E96 K100 P123 R124 L134 | L94-D98 PolarHBondContact N-OD2 3.36Å; T95-D98 PolarHBondContact O-N 3.41Å; E96-D98 PolarHBondContact O-N 2.74Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 VanDerWaalsContact CG-N 3.26Å; D98-K100 WeakPolarHBondContact O-CG 3.31Å; D98-K100 PolarHBondContact O-N 2.04Å; D98-K100 PolarHBondContact OD1-N 3.39Å; D98-P123 WeakPolarHBondContact OD1-CA 3.41Å; D98-R124 CarbonylContact C-O 3.44Å; D98-R124 WeakPolarHBondContact CA-O 3.33Å; D98-R124 PolarHBondContact OD1-N 3.5Å; D98-L134 HydrophobicContact CB-CD2 3.93Å |
| 99 | W | 97.7 | Very high | 94.4 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | trans | -67 | -18.4 | 168.6 | -76.3 | 103.4 | 0 | 0 | 0 | 113.1 | A75 Y101 R124 G125 K126 E263 N303 Q468 | A75-W99 HydrophobicContact CB-CH2 3.75Å; A75-W99 HydrophobicContact CB-CZ2 3.52Å; W99-Y101 VanDerWaalsContact C-N 3.32Å; W99-Y101 HydrophobicContact CB-CD2 3.67Å; W99-Y101 HydrophobicContact CB-CE1 4.24Å; W99-Y101 HydrophobicContact CB-CE2 3.34Å; W99-Y101 HydrophobicContact CB-CG 4.26Å; W99-Y101 HydrophobicContact CD2-CE2 4.34Å; W99-Y101 HydrophobicContact CG-CD2 4.44Å; W99-Y101 AromaticContact CG-CE2 3.67Å; W99-Y101 HydrophobicContact CG-CE2 3.67Å; W99-Y101 AromaticContact CG-CZ 3.86Å; W99-Y101 PolarHBondContact O-N 3.35Å; W99-R124 HydrophobicContact CB-CB 4.26Å; W99-R124 VanDerWaalsContact CD1-O 3.27Å; W99-R124 HydrophobicContact CG-CB 4.43Å; W99-R124 PolarHBondContact N-O 3.17Å; W99-G125 PolarHBondContact NE1-O 3.33Å; W99-K126 HydrophobicContact CD2-CB 4.03Å; W99-K126 HydrophobicContact CD2-CD 3.94Å; W99-K126 HydrophobicContact CD2-CG 4.02Å; W99-K126 HydrophobicContact CE3-CD 3.94Å; W99-K126 HydrophobicContact CE3-CG 4.48Å; W99-K126 HydrophobicContact CG-CB 4Å; W99-K126 HydrophobicContact CH2-CD 4.11Å; W99-K126 HydrophobicContact CH2-CG 4.28Å; W99-K126 HydrophobicContact CZ2-CB 4.45Å; W99-K126 HydrophobicContact CZ2-CD 4.1Å; W99-K126 HydrophobicContact CZ2-CG 3.79Å; W99-K126 HydrophobicContact CZ3-CD 4.02Å; W99-E263 HydrophobicContact CH2-CG 4.32Å; W99-N303 PolarHBondContact NE1-ND2 3.13Å; W99-Q468 PolarHBondContact O-NE2 2.87Å | ||
| 100 | K | 97.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | 58 | 41.8 | 177.1 | -47.5 | 176.3 | -163.2 | 173.3 | 0 | 111.9 | L94 T95 E96 D98 Q468 | L94-K100 VanDerWaalsContact O-CE 3.28Å; L94-K100 WeakPolarHBondContact O-CE 3.17Å; L94-K100 PolarHBondContact O-NZ 2.65Å; T95-K100 VanDerWaalsContact C-CE 3.47Å; T95-K100 WeakPolarHBondContact O-CE 3.46Å; E96-K100 IonicContact OE1-NZ 3Å; E96-K100 PolarHBondContact OE1-NZ 3.13Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 VanDerWaalsContact CG-N 3.26Å; D98-K100 WeakPolarHBondContact O-CG 3.31Å; D98-K100 PolarHBondContact O-N 2.04Å; D98-K100 PolarHBondContact OD1-N 3.39Å; K100-Q468 PolarHBondContact O-NE2 2.9Å | ||
| 101 | Y | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 153.9 | 178.7 | -67.7 | -54.5 | 0 | 0 | 0 | 111.8 | W99 W122 R124 L302 N303 Q468 P469 I471 | W99-Y101 VanDerWaalsContact C-N 3.32Å; W99-Y101 HydrophobicContact CB-CD2 3.67Å; W99-Y101 HydrophobicContact CB-CE1 4.24Å; W99-Y101 HydrophobicContact CB-CE2 3.34Å; W99-Y101 HydrophobicContact CB-CG 4.26Å; W99-Y101 HydrophobicContact CD2-CE2 4.34Å; W99-Y101 HydrophobicContact CG-CD2 4.44Å; W99-Y101 AromaticContact CG-CE2 3.67Å; W99-Y101 HydrophobicContact CG-CE2 3.67Å; W99-Y101 AromaticContact CG-CZ 3.86Å; W99-Y101 PolarHBondContact O-N 3.35Å; Y101-W122 WeakPolarHBondContact CB-O 3.07Å; Y101-W122 PolarHBondContact O-N 3.13Å; Y101-R124 HydrophobicContact CD2-CB 4.08Å; Y101-R124 HydrophobicContact CD2-CG 3.7Å; Y101-R124 HydrophobicContact CE2-CB 4.21Å; Y101-R124 HydrophobicContact CE2-CG 4.12Å; Y101-L302 HydrophobicContact CD2-CD1 3.79Å; Y101-L302 HydrophobicContact CE2-CB 4.46Å; Y101-L302 HydrophobicContact CE2-CD1 4.22Å; Y101-L302 HydrophobicContact CG-CD1 4.46Å; Y101-N303 VanDerWaalsContact OH-CG 3.27Å; Y101-N303 PolarHBondContact OH-ND2 2.76Å; Y101-N303 PolarHBondContact OH-OD1 3.21Å; Y101-Q468 HydrophobicContact CD1-CB 4.01Å; Y101-Q468 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q468 HydrophobicContact CD1-CG 3.87Å; Y101-Q468 HydrophobicContact CE1-CB 3.86Å; Y101-Q468 HydrophobicContact CE1-CG 3.67Å; Y101-P469 HydrophobicContact CE1-CG 4.3Å; Y101-I471 HydrophobicContact CD1-CD1 4.08Å; Y101-I471 HydrophobicContact CD2-CD1 4.44Å; Y101-I471 HydrophobicContact CG-CD1 3.8Å |
| 102 | Q | 97.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.9 | 172.9 | -56 | -175 | -8 | 0 | 0 | 109.5 | C120 F121 | Q102-C120 WeakPolarHBondContact CA-O 3.46Å; Q102-F121 HydrophobicContact CG-CD1 3.75Å; Q102-F121 HydrophobicContact CG-CE1 3.95Å |
| 103 | T | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 155.6 | 170.8 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | R119 C120 W122 P473 | T103-R119 WeakPolarHBondContact O-CG 3.32Å; T103-R119 PolarHBondContact O-NH1 3.37Å; T103-C120 HydrophobicContact CG2-CB 4.04Å; T103-C120 PolarHBondContact N-O 3.24Å; T103-C120 PolarHBondContact OG1-N 3.14Å; T103-W122 HydrophobicContact CG2-CD2 4.13Å; T103-W122 HydrophobicContact CG2-CG 4Å; T103-W122 HydrophobicContact CG2-CZ2 4.49Å; T103-P473 HydrophobicContact CG2-CG 3.42Å; T103-P473 VanDerWaalsContact CG2-CG 3.42Å |
| 104 | T | 97 | Very high | 96.1 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 136.1 | 163.1 | -51.6 | 0 | 0 | 0 | 0 | 107.4 | Y111 I471 I472 | T104-Y111 WeakPolarHBondContact O-CE2 3.34Å; T104-Y111 PolarHBondContact O-OH 3.2Å; T104-I471 VanDerWaalsContact CB-O 3.28Å; T104-I471 WeakPolarHBondContact CB-O 3.41Å; T104-I471 PolarHBondContact N-O 3.31Å; T104-I471 PolarHBondContact OG1-O 2.68Å; T104-I472 HydrophobicContact CG2-CG1 4.45Å |
| 105 | P | 96.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 146.1 | 175.8 | 28.9 | -36 | 0 | 0 | 0 | 109.8 | D118 R119 | P105-D118 HydrophobicContact CB-CB 4.36Å; P105-R119 HydrophobicContact CB-CG 4.45Å |
| 106 | S | 93.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 135.4 | 171.2 | 167.6 | 0 | 0 | 0 | 0 | 110.4 | T108 R109 Q110 | S106-T108 PolarHBondContact O-N 3.18Å; S106-T108 PolarHBondContact OG-N 3.04Å; S106-T108 VanDerWaalsContact OG-N 3.16Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; S106-R109 PolarHBondContact O-N 2.82Å; S106-R109 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact OG-N 3.13Å; S106-Q110 PolarHBondContact OG-N 2.84Å; S106-Q110 PolarHBondContact OG-OE1 3.03Å |
| 107 | S | 91.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 87% | 0.874 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.3 | 173.2 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 108 | T | 92.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 56% | 0.558 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | 8.4 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | S106 Q110 | S106-T108 PolarHBondContact O-N 3.18Å; S106-T108 PolarHBondContact OG-N 3.04Å; S106-T108 VanDerWaalsContact OG-N 3.16Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; T108-Q110 PolarHBondContact O-N 3.47Å; T108-Q110 VanDerWaalsContact OG1-CG 3.25Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q110 PolarHBondContact OG1-OE1 3.28Å |
| 109 | R | 93.3 | Very high | 96.3 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | trans | 52.5 | 35.7 | -178.9 | -52.7 | -173 | 72.9 | -159.4 | -4.3 | 113.4 | S106 Y111 Q113 D118 | S106-R109 PolarHBondContact O-N 2.82Å; S106-R109 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact OG-N 3.13Å; R109-Y111 PolarHBondContact O-N 2.88Å; R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-NE2 2.98Å; R109-D118 IonicContact CZ-OD2 3.63Å; R109-D118 VanDerWaalsContact CZ-OD2 3.25Å; R109-D118 IonicContact NE-OD2 3.2Å; R109-D118 PolarHBondContact NE-OD2 3.08Å; R109-D118 IonicContact NH2-OD1 2.83Å; R109-D118 PolarHBondContact NH2-OD1 3.39Å; R109-D118 IonicContact NH2-OD2 2.73Å; R109-D118 PolarHBondContact NH2-OD2 2.98Å | ||
| 110 | Q | 94.7 | Very high | 96.3 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | trans | -65.8 | -18.8 | -175.8 | -81.4 | 165.6 | -50.8 | 0 | 0 | 115.3 | S106 T108 K532 | S106-Q110 PolarHBondContact OG-N 2.84Å; S106-Q110 PolarHBondContact OG-OE1 3.03Å; T108-Q110 PolarHBondContact O-N 3.47Å; T108-Q110 VanDerWaalsContact OG1-CG 3.25Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q110 PolarHBondContact OG1-OE1 3.28Å; Q110-K532 WeakPolarHBondContact O-CB 3.28Å; Q110-K532 WeakPolarHBondContact O-CG 3.42Å | ||
| 111 | Y | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -150.1 | 165.3 | -175.1 | 52.2 | -106.8 | 0 | 0 | 0 | 112.2 | T104 R109 Q113 Y475 K532 T535 | T104-Y111 WeakPolarHBondContact O-CE2 3.34Å; T104-Y111 PolarHBondContact O-OH 3.2Å; R109-Y111 PolarHBondContact O-N 2.88Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Y111-Y475 HydrophobicContact CD1-CD2 4.1Å; Y111-Y475 HydrophobicContact CD1-CG 4.42Å; Y111-Y475 HydrophobicContact CD2-CD2 4.3Å; Y111-Y475 AromaticContact CG-CD2 3.89Å; Y111-Y475 HydrophobicContact CG-CD2 3.89Å; Y111-K532 CarbonylContact C-O 3.47Å; Y111-T535 WeakPolarHBondContact CA-OG1 3.49Å |
| 112 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 57.3 | 27.9 | 172.2 | -51.6 | 0 | 0 | 0 | 0 | 114.7 | A114 M115 D118 C120 K532 T535 | C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 2.93Å; C112-M115 HydrophobicContact CB-CB 4.47Å; C112-M115 HydrophobicContact CB-SD 3.95Å; C112-M115 WeakPolarHBondContact O-CB 3.38Å; C112-M115 PolarHBondContact O-N 3.32Å; C112-D118 WeakPolarHBondContact O-CA 3.48Å; C112-C120 HydrophobicContact CB-CB 4.21Å; C112-C120 WeakPolarHBondContact CB-SG 3.38Å; C112-C120 WeakPolarHBondContact SG-CB 3.26Å; C112-C120 CovalentContact SG-SG 2.03Å; C112-C120 PolarHBondContact SG-SG 3.09Å; C112-K532 PolarHBondContact N-O 3.02Å; C112-T535 PolarHBondContact N-OG1 3.43Å | ||
| 113 | Q | 97.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.8 | -171.8 | -49.9 | 169.1 | -1.5 | 0 | 0 | 113.1 | R109 Y111 M115 R426 K532 E533 | R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-NE2 2.98Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Q113-M115 PolarHBondContact O-N 2.77Å; Q113-R426 PolarHBondContact O-NE 2.93Å; Q113-R426 VanDerWaalsContact O-NE 3.16Å; Q113-K532 WeakPolarHBondContact CG-O 3.49Å; Q113-K532 PolarHBondContact N-O 3.28Å; Q113-E533 PolarHBondContact N-O 2.89Å; Q113-E533 VanDerWaalsContact N-O 3.13Å |
| 114 | A | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C112 L425 R426 F429 E533 | C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 2.93Å; A114-L425 HydrophobicContact CB-CD2 4.3Å; A114-R426 WeakPolarHBondContact O-CB 3.43Å; A114-R426 VanDerWaalsContact O-CG 3.23Å; A114-R426 WeakPolarHBondContact O-CG 3.21Å; A114-R426 PolarHBondContact O-N 3.18Å; A114-F429 HydrophobicContact CB-CD1 3.98Å; A114-F429 HydrophobicContact CB-CD2 3.74Å; A114-F429 HydrophobicContact CB-CE1 3.92Å; A114-F429 HydrophobicContact CB-CE2 3.71Å; A114-F429 HydrophobicContact CB-CG 3.88Å; A114-F429 HydrophobicContact CB-CZ 3.8Å; A114-E533 HydrophobicContact CB-CG 4.17Å; A114-E533 WeakPolarHBondContact CB-O 3.47Å; A114-E533 PolarHBondContact N-O 3.47Å |
| 115 | M | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 153.3 | -175.6 | -66 | 73.1 | 178.2 | 0 | 0 | 111.9 | C112 Q113 G117 D118 R119 L423 N424 L425 R426 F534 T535 | C112-M115 HydrophobicContact CB-CB 4.47Å; C112-M115 HydrophobicContact CB-SD 3.95Å; C112-M115 WeakPolarHBondContact O-CB 3.38Å; C112-M115 PolarHBondContact O-N 3.32Å; Q113-M115 PolarHBondContact O-N 2.77Å; M115-G117 PolarHBondContact O-N 3.13Å; M115-D118 PolarHBondContact O-N 3.31Å; M115-R119 WeakPolarHBondContact CB-O 3.36Å; M115-L423 WeakPolarHBondContact CG-O 3.26Å; M115-N424 CarbonylContact C-O 3.57Å; M115-N424 WeakPolarHBondContact CA-O 3.47Å; M115-N424 HydrophobicContact CB-CB 4.3Å; M115-N424 WeakPolarHBondContact CB-O 3.4Å; M115-N424 HydrophobicContact CG-CB 4.35Å; M115-L425 HydrophobicContact CE-CD2 4.06Å; M115-L425 HydrophobicContact SD-CD2 4.45Å; M115-R426 VanDerWaalsContact O-CZ 3.22Å; M115-R426 PolarHBondContact O-NE 3.14Å; M115-R426 PolarHBondContact O-NH2 3.09Å; M115-F534 HydrophobicContact CE-CD2 3.44Å; M115-F534 VanDerWaalsContact CE-CD2 3.44Å; M115-F534 HydrophobicContact CE-CE2 3.6Å; M115-T535 WeakPolarHBondContact CE-O 3.45Å |
| 116 | K | 97.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -62.1 | 122.5 | 179.7 | -61.4 | 177.7 | -180 | -175.8 | 0 | 109.8 | D118 N424 L425 R426 D427 | K116-D118 VanDerWaalsContact C-N 3.27Å; K116-D118 PolarHBondContact O-N 3.39Å; K116-N424 WeakPolarHBondContact CB-OD1 3.44Å; K116-N424 PolarHBondContact N-O 3.03Å; K116-N424 PolarHBondContact O-ND2 3.46Å; K116-L425 VanDerWaalsContact CE-O 3.27Å; K116-L425 WeakPolarHBondContact CE-O 3.2Å; K116-R426 HydrophobicContact CG-CG 4.23Å; K116-D427 WeakPolarHBondContact CE-OD1 3.16Å; K116-D427 IonicContact NZ-OD1 3.46Å; K116-D427 PolarHBondContact NZ-OD1 3.46Å |
| 117 | G | 97 | Very high | 96.5 | Very high | 44 Ų | 44 | 41 Ų | 41 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 74.2 | 13.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M115 R119 | M115-G117 PolarHBondContact O-N 3.13Å; G117-R119 VanDerWaalsContact C-N 3.27Å; G117-R119 WeakPolarHBondContact O-CG 3.48Å; G117-R119 PolarHBondContact O-N 3Å |
| 118 | D | 96.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 58.2 | 39.4 | -174.7 | -59.7 | -6.4 | 0 | 0 | 0 | 112.4 | P105 R109 C112 M115 K116 R426 | P105-D118 HydrophobicContact CB-CB 4.36Å; R109-D118 IonicContact CZ-OD2 3.63Å; R109-D118 VanDerWaalsContact CZ-OD2 3.25Å; R109-D118 IonicContact NE-OD2 3.2Å; R109-D118 PolarHBondContact NE-OD2 3.08Å; R109-D118 IonicContact NH2-OD1 2.83Å; R109-D118 PolarHBondContact NH2-OD1 3.39Å; R109-D118 IonicContact NH2-OD2 2.73Å; R109-D118 PolarHBondContact NH2-OD2 2.98Å; C112-D118 WeakPolarHBondContact O-CA 3.48Å; M115-D118 PolarHBondContact O-N 3.31Å; K116-D118 VanDerWaalsContact C-N 3.27Å; K116-D118 PolarHBondContact O-N 3.39Å; D118-R426 IonicContact OD1-CZ 2.82Å; D118-R426 IonicContact OD1-NE 3.3Å; D118-R426 IonicContact OD1-NH2 3.11Å; D118-R426 PolarHBondContact OD1-NH2 2.97Å |
| 119 | R | 97.2 | Very high | 97.1 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 33% | 0.328 | 15% | 0.146 | S | C | . | . | trans | -125.8 | 125.5 | -177 | -64.6 | 174.6 | -177.4 | -97.3 | 6.3 | 110.7 | T103 P105 M115 G117 N424 | T103-R119 WeakPolarHBondContact O-CG 3.32Å; T103-R119 PolarHBondContact O-NH1 3.37Å; P105-R119 HydrophobicContact CB-CG 4.45Å; M115-R119 WeakPolarHBondContact CB-O 3.36Å; G117-R119 VanDerWaalsContact C-N 3.27Å; G117-R119 WeakPolarHBondContact O-CG 3.48Å; G117-R119 PolarHBondContact O-N 3Å; R119-N424 PolarHBondContact O-ND2 3.03Å | ||
| 120 | C | 97.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | trans | -81.1 | 141.1 | 168.5 | -72 | 0 | 0 | 0 | 0 | 109.6 | Q102 T103 C112 | Q102-C120 WeakPolarHBondContact CA-O 3.46Å; T103-C120 HydrophobicContact CG2-CB 4.04Å; T103-C120 PolarHBondContact N-O 3.24Å; T103-C120 PolarHBondContact OG1-N 3.14Å; C112-C120 HydrophobicContact CB-CB 4.21Å; C112-C120 WeakPolarHBondContact CB-SG 3.38Å; C112-C120 WeakPolarHBondContact SG-CB 3.26Å; C112-C120 CovalentContact SG-SG 2.03Å; C112-C120 PolarHBondContact SG-SG 3.09Å | ||
| 121 | F | 97.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 23.1 Ų | 23.1 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140.3 | 166.8 | -70.6 | -6 | 0 | 0 | 0 | 109.6 | L94 Q102 K421 I422 N424 Y539 | L94-F121 HydrophobicContact CD1-CD2 4.42Å; L94-F121 HydrophobicContact CD1-CE2 3.99Å; L94-F121 HydrophobicContact CD2-CD2 3.77Å; L94-F121 HydrophobicContact CD2-CE2 3.71Å; L94-F121 HydrophobicContact CG-CE2 4.45Å; Q102-F121 HydrophobicContact CG-CD1 3.75Å; Q102-F121 HydrophobicContact CG-CE1 3.95Å; F121-K421 WeakPolarHBondContact CE2-O 3.38Å; F121-I422 VanDerWaalsContact CD2-O 3.28Å; F121-I422 WeakPolarHBondContact CD2-O 3.39Å; F121-N424 HydrophobicContact CD1-CB 3.67Å; F121-N424 HydrophobicContact CD2-CB 3.79Å; F121-N424 HydrophobicContact CE1-CB 3.53Å; F121-N424 WeakPolarHBondContact CE1-ND2 3.21Å; F121-N424 WeakPolarHBondContact CE1-OD1 3.27Å; F121-N424 HydrophobicContact CE2-CB 3.65Å; F121-N424 HydrophobicContact CG-CB 3.81Å; F121-N424 HydrophobicContact CZ-CB 3.54Å; F121-N424 WeakPolarHBondContact CZ-OD1 3.49Å; F121-Y539 WeakPolarHBondContact O-CE1 3.3Å |
| 122 | W | 96.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 70.9 | 179.4 | -91.7 | 33.5 | 0 | 0 | 0 | 108.6 | Y101 T103 R124 L302 M336 D338 I471 P473 Y475 P541 | Y101-W122 WeakPolarHBondContact CB-O 3.07Å; Y101-W122 PolarHBondContact O-N 3.13Å; T103-W122 HydrophobicContact CG2-CD2 4.13Å; T103-W122 HydrophobicContact CG2-CG 4Å; T103-W122 HydrophobicContact CG2-CZ2 4.49Å; W122-R124 PolarHBondContact O-N 2.79Å; W122-L302 HydrophobicContact CE3-CD1 3.8Å; W122-L302 HydrophobicContact CE3-CD2 4.19Å; W122-L302 HydrophobicContact CZ3-CD1 4.24Å; W122-L302 HydrophobicContact CZ3-CD2 3.77Å; W122-M336 HydrophobicContact CH2-CE 3.44Å; W122-M336 VanDerWaalsContact CH2-CE 3.44Å; W122-M336 HydrophobicContact CH2-CG 4.43Å; W122-M336 HydrophobicContact CH2-SD 3.7Å; W122-M336 HydrophobicContact CZ2-CE 4.33Å; W122-M336 HydrophobicContact CZ3-CE 3.92Å; W122-M336 HydrophobicContact CZ3-SD 3.63Å; W122-D338 HydrophobicContact CH2-CB 4.19Å; W122-D338 HydrophobicContact CZ2-CB 4.13Å; W122-I471 HydrophobicContact CD2-CG2 4.06Å; W122-I471 HydrophobicContact CE3-CD1 4.4Å; W122-I471 HydrophobicContact CE3-CG2 3.48Å; W122-I471 VanDerWaalsContact CE3-CG2 3.48Å; W122-I471 HydrophobicContact CH2-CG2 3.95Å; W122-I471 HydrophobicContact CZ2-CG2 4.43Å; W122-I471 HydrophobicContact CZ3-CG2 3.4Å; W122-P473 HydrophobicContact CH2-CG 4.4Å; W122-P473 HydrophobicContact CZ2-CB 4.08Å; W122-P473 HydrophobicContact CZ2-CG 3.81Å; W122-Y475 AromaticContact CZ2-CZ 3.88Å; W122-Y475 WeakPolarHBondContact CZ2-OH 3.49Å; W122-Y475 PolarHBondContact NE1-OH 3.2Å; W122-Y475 VanDerWaalsContact NE1-OH 3.13Å; W122-P541 HydrophobicContact CE3-CB 4.41Å; W122-P541 HydrophobicContact CH2-CB 4.15Å; W122-P541 HydrophobicContact CZ3-CB 3.71Å; W122-P541 HydrophobicContact CZ3-CG 4.28Å |
| 123 | P | 96.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | trans | -57.3 | 135.1 | -179.2 | 27.2 | -38.1 | 0 | 0 | 0 | 111.2 | Q93 D98 Y539 | Q93-P123 HydrophobicContact CB-CB 4.35Å; Q93-P123 HydrophobicContact CG-CB 3.81Å; Q93-P123 HydrophobicContact CG-CG 4.12Å; D98-P123 WeakPolarHBondContact OD1-CA 3.41Å; P123-Y539 HydrophobicContact CG-CD1 3.9Å; P123-Y539 HydrophobicContact CG-CD2 3.56Å; P123-Y539 HydrophobicContact CG-CE1 3.8Å; P123-Y539 HydrophobicContact CG-CE2 3.43Å; P123-Y539 VanDerWaalsContact CG-CE2 3.43Å; P123-Y539 HydrophobicContact CG-CG 3.76Å | ||
| 124 | R | 97.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 21.1 Ų | 21.1 | 17% | 0.166 | 11% | 0.111 | C | C | . | . | trans | -138 | 135.4 | 175.3 | -62 | -58.1 | -59.2 | 172.3 | -3.1 | 109.2 | D98 W99 Y101 W122 K126 S131 L302 Y539 | D98-R124 CarbonylContact C-O 3.44Å; D98-R124 WeakPolarHBondContact CA-O 3.33Å; D98-R124 PolarHBondContact OD1-N 3.5Å; W99-R124 HydrophobicContact CB-CB 4.26Å; W99-R124 VanDerWaalsContact CD1-O 3.27Å; W99-R124 HydrophobicContact CG-CB 4.43Å; W99-R124 PolarHBondContact N-O 3.17Å; Y101-R124 HydrophobicContact CD2-CB 4.08Å; Y101-R124 HydrophobicContact CD2-CG 3.7Å; Y101-R124 HydrophobicContact CE2-CB 4.21Å; Y101-R124 HydrophobicContact CE2-CG 4.12Å; W122-R124 PolarHBondContact O-N 2.79Å; R124-K126 PolarHBondContact O-N 3.3Å; R124-S131 VanDerWaalsContact CZ-OG 3.3Å; R124-S131 PolarHBondContact NE-OG 2.92Å; R124-S131 PolarHBondContact NH2-OG 2.85Å; R124-L302 HydrophobicContact CG-CD1 3.88Å; R124-Y539 PolarHBondContact NH1-O 3.39Å | ||
| 125 | G | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 125.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L97 W99 S131 | L97-G125 CarbonylContact O-C 3.14Å; L97-G125 WeakPolarHBondContact O-CA 3.16Å; W99-G125 PolarHBondContact NE1-O 3.33Å; G125-S131 PolarHBondContact N-OG 3.14Å; G125-S131 VanDerWaalsContact N-OG 3.12Å |
| 126 | K | 98.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 24.4 Ų | 24.4 | 23% | 0.226 | 13% | 0.134 | C | C | . | . | trans | -114.1 | 67.8 | 168.2 | -170.6 | -175.8 | 179.9 | -173.8 | 0 | 108 | A75 G76 L97 W99 R124 | A75-K126 HydrophobicContact CB-CG 4.46Å; G76-K126 VanDerWaalsContact CA-O 3.27Å; G76-K126 WeakPolarHBondContact CA-O 3.39Å; L97-K126 PolarHBondContact O-N 2.74Å; W99-K126 HydrophobicContact CD2-CB 4.03Å; W99-K126 HydrophobicContact CD2-CD 3.94Å; W99-K126 HydrophobicContact CD2-CG 4.02Å; W99-K126 HydrophobicContact CE3-CD 3.94Å; W99-K126 HydrophobicContact CE3-CG 4.48Å; W99-K126 HydrophobicContact CG-CB 4Å; W99-K126 HydrophobicContact CH2-CD 4.11Å; W99-K126 HydrophobicContact CH2-CG 4.28Å; W99-K126 HydrophobicContact CZ2-CB 4.45Å; W99-K126 HydrophobicContact CZ2-CD 4.1Å; W99-K126 HydrophobicContact CZ2-CG 3.79Å; W99-K126 HydrophobicContact CZ3-CD 4.02Å; R124-K126 PolarHBondContact O-N 3.3Å | ||
| 127 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -164.9 | 153 | -171.4 | 58.2 | 0 | 0 | 0 | 0 | 108.5 | E74 G77 E79 L97 G129 G130 V133 L134 | E74-V127 PolarHBondContact OE1-N 3.12Å; G77-V127 CarbonylContact O-C 3.39Å; G77-V127 WeakPolarHBondContact O-CA 3.28Å; G77-V127 WeakPolarHBondContact O-CG2 3.19Å; E79-V127 HydrophobicContact CG-CG2 4.17Å; L97-V127 HydrophobicContact CB-CB 4.5Å; L97-V127 HydrophobicContact CD2-CB 3.95Å; L97-V127 HydrophobicContact CD2-CG2 3.82Å; V127-G129 PolarHBondContact O-N 3.32Å; V127-G130 VanDerWaalsContact O-CA 3.25Å; V127-G130 WeakPolarHBondContact O-CA 3.49Å; V127-G130 PolarHBondContact O-N 3.42Å; V127-V133 HydrophobicContact CG1-CB 3.69Å; V127-V133 HydrophobicContact CG1-CG1 3.91Å; V127-V133 HydrophobicContact CG1-CG2 3.83Å; V127-V133 HydrophobicContact CG2-CG1 4.49Å; V127-L134 HydrophobicContact CG1-CD1 3.87Å |
| 128 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 126.9 | 169.4 | -174.3 | 64.1 | 0 | 0 | 0 | 110.4 | V34 L72 E74 G77 V133 I247 V258 L260 | V34-L128 HydrophobicContact CB-CD2 4.45Å; V34-L128 HydrophobicContact CG1-CD2 3.69Å; V34-L128 HydrophobicContact CG2-CD2 3.86Å; L72-L128 HydrophobicContact CD2-CD1 3.86Å; E74-L128 HydrophobicContact CG-CB 4.44Å; G77-L128 PolarHBondContact O-N 2.71Å; L128-V133 WeakPolarHBondContact O-CG2 3.4Å; L128-I247 HydrophobicContact CD1-CG1 4.23Å; L128-I247 HydrophobicContact CD1-CG2 4.4Å; L128-I247 HydrophobicContact CD2-CG2 3.99Å; L128-V258 HydrophobicContact CD1-CG1 4.32Å; L128-V258 HydrophobicContact CD2-CG1 4.48Å; L128-L260 HydrophobicContact CB-CD2 4.2Å; L128-L260 HydrophobicContact CD2-CD2 4.47Å |
| 129 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -13.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G51 V127 S132 T242 | G51-G129 CarbonylContact O-C 3.47Å; G51-G129 WeakPolarHBondContact O-CA 3.34Å; G51-G129 PolarHBondContact O-N 2.88Å; V127-G129 PolarHBondContact O-N 3.32Å; G129-S132 WeakPolarHBondContact O-CB 3.22Å; G129-S132 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-OG 2.86Å; G129-T242 WeakPolarHBondContact CA-OG1 3.43Å; G129-T242 PolarHBondContact O-OG1 2.88Å |
| 130 | G | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | 53.6 | -135.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V127 S132 V133 | V127-G130 VanDerWaalsContact O-CA 3.25Å; V127-G130 WeakPolarHBondContact O-CA 3.49Å; V127-G130 PolarHBondContact O-N 3.42Å; G130-S132 PolarHBondContact O-N 3.22Å; G130-V133 WeakPolarHBondContact O-CB 3.39Å; G130-V133 PolarHBondContact O-N 3.31Å; G130-V133 VanDerWaalsContact O-N 3.08Å |
| 131 | S | 98.1 | Very high | 97.4 | Very high | 25 Ų | 25 | 13.2 Ų | 13.2 | 18% | 0.175 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -69.7 | -13.6 | -175.5 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | R124 G125 V133 L134 N135 | R124-S131 VanDerWaalsContact CZ-OG 3.3Å; R124-S131 PolarHBondContact NE-OG 2.92Å; R124-S131 PolarHBondContact NH2-OG 2.85Å; G125-S131 PolarHBondContact N-OG 3.14Å; G125-S131 VanDerWaalsContact N-OG 3.12Å; S131-V133 PolarHBondContact O-N 2.91Å; S131-L134 PolarHBondContact O-N 3.44Å; S131-L134 VanDerWaalsContact O-N 3.14Å; S131-N135 WeakPolarHBondContact O-CB 3.08Å; S131-N135 PolarHBondContact O-N 3.16Å |
| 132 | S | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -66.2 | -16.9 | 171 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | G129 G130 N135 R239 T242 | G129-S132 WeakPolarHBondContact O-CB 3.22Å; G129-S132 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-OG 2.86Å; G130-S132 PolarHBondContact O-N 3.22Å; S132-N135 PolarHBondContact O-OD1 3.35Å; S132-R239 PolarHBondContact O-NH1 3.4Å; S132-T242 PolarHBondContact OG-N 3.31Å; S132-T242 PolarHBondContact OG-OG1 2.85Å |
| 133 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -80.5 | -28.3 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | E79 L92 V127 L128 G130 S131 R239 | E79-V133 HydrophobicContact CG-CG1 3.97Å; E79-V133 HydrophobicContact CG-CG2 3.68Å; L92-V133 WeakPolarHBondContact CD1-O 3.45Å; V127-V133 HydrophobicContact CG1-CB 3.69Å; V127-V133 HydrophobicContact CG1-CG1 3.91Å; V127-V133 HydrophobicContact CG1-CG2 3.83Å; V127-V133 HydrophobicContact CG2-CG1 4.49Å; L128-V133 WeakPolarHBondContact O-CG2 3.4Å; G130-V133 WeakPolarHBondContact O-CB 3.39Å; G130-V133 PolarHBondContact O-N 3.31Å; G130-V133 VanDerWaalsContact O-N 3.08Å; S131-V133 PolarHBondContact O-N 2.91Å; V133-R239 WeakPolarHBondContact O-CD 3.49Å; V133-R239 PolarHBondContact O-NE 2.87Å; V133-R239 VanDerWaalsContact O-NE 3.09Å; V133-R239 PolarHBondContact O-NH1 3.1Å |
| 134 | L | 94.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 15.6 Ų | 15.6 | 6% | 0.063 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -18.9 | -173.7 | -71.6 | 73.9 | 0 | 0 | 0 | 114 | L92 L97 D98 V127 S131 | L92-L134 HydrophobicContact CB-CG 4.08Å; L97-L134 HydrophobicContact CB-CD1 4.4Å; D98-L134 HydrophobicContact CB-CD2 3.93Å; V127-L134 HydrophobicContact CG1-CD1 3.87Å; S131-L134 PolarHBondContact O-N 3.44Å; S131-L134 VanDerWaalsContact O-N 3.14Å |
| 135 | N | 96 | Very high | 97.4 | Very high | 39 Ų | 39 | 15 Ų | 15 | 21% | 0.209 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -71.4 | 175.4 | -173.5 | 72.5 | 10.1 | 0 | 0 | 0 | 113.4 | S131 S132 M137 R239 | S131-N135 WeakPolarHBondContact O-CB 3.08Å; S131-N135 PolarHBondContact O-N 3.16Å; S132-N135 PolarHBondContact O-OD1 3.35Å; N135-M137 PolarHBondContact O-N 3.11Å; N135-M137 WeakPolarHBondContact OD1-CA 3.47Å; N135-M137 PolarHBondContact OD1-N 3.14Å; N135-R239 VanDerWaalsContact O-CZ 3.25Å; N135-R239 PolarHBondContact O-NH1 2.6Å; N135-R239 PolarHBondContact O-NH2 3.27Å; N135-R239 PolarHBondContact OD1-NH1 2.87Å |
| 136 | A | 95.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 14.6 Ų | 14.6 | 30% | 0.298 | 8% | 0.081 | S | C | . | . | trans | -82.1 | 17.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V138 S380 V382 | A136-V138 HydrophobicContact CB-CG2 4.21Å; A136-V138 PolarHBondContact O-N 3.49Å; A136-S380 WeakPolarHBondContact O-CB 3.36Å; A136-V382 HydrophobicContact CB-CG2 4.32Å | ||
| 137 | M | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | 60 | -4.3 | 179.6 | -67.4 | 151.4 | -69.9 | 0 | 0 | 117.3 | P86 N135 Y139 S232 T233 I234 R239 S380 | P86-M137 HydrophobicContact CB-CE 3.55Å; P86-M137 HydrophobicContact CB-SD 3.9Å; P86-M137 HydrophobicContact CG-CE 4.34Å; P86-M137 HydrophobicContact CG-SD 4.03Å; N135-M137 PolarHBondContact O-N 3.11Å; N135-M137 WeakPolarHBondContact OD1-CA 3.47Å; N135-M137 PolarHBondContact OD1-N 3.14Å; M137-Y139 PolarHBondContact O-N 3.08Å; M137-S232 CarbonylContact O-C 3.01Å; M137-S232 VanDerWaalsContact O-CA 3.29Å; M137-S232 WeakPolarHBondContact O-CA 3.28Å; M137-T233 WeakPolarHBondContact CA-OG1 3.45Å; M137-T233 PolarHBondContact O-N 2.58Å; M137-T233 PolarHBondContact O-OG1 3.44Å; M137-I234 HydrophobicContact SD-CD1 4.37Å; M137-I234 HydrophobicContact SD-CG1 3.96Å; M137-R239 HydrophobicContact CG-CG 4.11Å; M137-R239 HydrophobicContact SD-CB 3.81Å; M137-R239 HydrophobicContact SD-CG 3.99Å; M137-S380 VanDerWaalsContact CE-CB 3.48Å | ||
| 138 | V | 97.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | B | Isolated β-bridge | trans | -49.2 | 120.9 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | A136 V140 T230 V382 V385 N584 | A136-V138 HydrophobicContact CB-CG2 4.21Å; A136-V138 PolarHBondContact O-N 3.49Å; V138-V140 HydrophobicContact CG1-CG2 3.77Å; V138-T230 HydrophobicContact CB-CG2 4.25Å; V138-T230 HydrophobicContact CG1-CG2 4.16Å; V138-T230 HydrophobicContact CG2-CG2 3.93Å; V138-V382 HydrophobicContact CG2-CB 3.95Å; V138-V382 HydrophobicContact CG2-CG1 4.2Å; V138-V382 HydrophobicContact CG2-CG2 4.14Å; V138-V385 HydrophobicContact CG1-CG1 4.24Å; V138-N584 HydrophobicContact CG1-CB 4.34Å; V138-N584 WeakPolarHBondContact CG1-OD1 3.38Å |
| 139 | Y | 98 | Very high | 97.4 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 2% | 0.02 | 10% | 0.101 | C | C | . | . | trans | -104.8 | 106 | 178.8 | -176.7 | -95.7 | 0 | 0 | 0 | 109.9 | M137 R141 E171 L190 V192 N220 Q231 T233 A587 | M137-Y139 PolarHBondContact O-N 3.08Å; Y139-R141 HydrophobicContact CE1-CG 4.2Å; Y139-R141 PolarHBondContact OH-NE 3.06Å; Y139-E171 WeakPolarHBondContact CE1-OE1 3.39Å; Y139-E171 VanDerWaalsContact CZ-OE1 3.32Å; Y139-E171 PolarHBondContact OH-OE1 3.26Å; Y139-L190 HydrophobicContact CD2-CD2 4.22Å; Y139-L190 HydrophobicContact CE2-CD2 3.87Å; Y139-V192 HydrophobicContact CD1-CB 4.5Å; Y139-V192 HydrophobicContact CD1-CG1 3.54Å; Y139-V192 HydrophobicContact CD1-CG2 4.13Å; Y139-V192 HydrophobicContact CD2-CG1 4.43Å; Y139-V192 HydrophobicContact CD2-CG2 3.73Å; Y139-V192 HydrophobicContact CE1-CG1 3.95Å; Y139-V192 HydrophobicContact CE1-CG2 4.06Å; Y139-V192 HydrophobicContact CE2-CG2 3.69Å; Y139-V192 HydrophobicContact CG-CG1 3.79Å; Y139-V192 HydrophobicContact CG-CG2 3.94Å; Y139-N220 PolarHBondContact O-ND2 2.98Å; Y139-Q231 WeakPolarHBondContact CB-O 3.45Å; Y139-Q231 HydrophobicContact CD1-CB 4.47Å; Y139-Q231 PolarHBondContact N-O 2.69Å; Y139-T233 HydrophobicContact CD2-CG2 3.95Å; Y139-A587 HydrophobicContact CD2-CB 3.66Å; Y139-A587 HydrophobicContact CE2-CB 3.41Å; Y139-A587 VanDerWaalsContact CE2-CB 3.41Å; Y139-A587 HydrophobicContact CG-CB 4.47Å | ||
| 140 | V | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -135.7 | 131.6 | 177.2 | 173 | 0 | 0 | 0 | 0 | 108 | V138 I219 N220 F387 N584 P588 | V138-V140 HydrophobicContact CG1-CG2 3.77Å; V140-I219 HydrophobicContact CB-CD1 4.06Å; V140-I219 HydrophobicContact CG1-CD1 3.62Å; V140-I219 HydrophobicContact CG2-CD1 3.77Å; V140-N220 WeakPolarHBondContact CA-OD1 3.32Å; V140-F387 HydrophobicContact CG1-CZ 3.79Å; V140-F387 HydrophobicContact CG2-CE2 4.41Å; V140-F387 HydrophobicContact CG2-CZ 4.13Å; V140-N584 HydrophobicContact CB-CB 4.24Å; V140-P588 WeakPolarHBondContact O-CD 3.4Å | ||
| 141 | R | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | trans | -87.7 | -15.5 | 179.7 | -61.7 | 178 | -174.3 | 161.8 | -9 | 113.4 | Y139 Y147 F167 E171 Y183 H184 N220 P588 | Y139-R141 HydrophobicContact CE1-CG 4.2Å; Y139-R141 PolarHBondContact OH-NE 3.06Å; R141-Y147 WeakPolarHBondContact O-CE2 3.49Å; R141-Y147 PolarHBondContact O-OH 3.42Å; R141-F167 HydrophobicContact CB-CD1 4.1Å; R141-F167 HydrophobicContact CB-CD2 4.47Å; R141-F167 HydrophobicContact CB-CE1 3.9Å; R141-F167 HydrophobicContact CB-CE2 4.31Å; R141-F167 HydrophobicContact CB-CG 4.39Å; R141-F167 HydrophobicContact CB-CZ 4.05Å; R141-F167 HydrophobicContact CG-CB 4.47Å; R141-F167 HydrophobicContact CG-CD1 3.61Å; R141-F167 HydrophobicContact CG-CD2 4.47Å; R141-F167 HydrophobicContact CG-CE1 3.88Å; R141-F167 HydrophobicContact CG-CG 3.95Å; R141-F167 HydrophobicContact CG-CZ 4.46Å; R141-E171 IonicContact CZ-OE1 2.64Å; R141-E171 IonicContact NE-OE1 2.68Å; R141-E171 IonicContact NH2-OE1 3.11Å; R141-E171 PolarHBondContact NH2-OE1 3.22Å; R141-E171 IonicContact NH2-OE2 2.74Å; R141-E171 PolarHBondContact NH2-OE2 2.71Å; R141-Y183 PolarHBondContact NH1-O 3.49Å; R141-Y183 PolarHBondContact NH2-O 3.37Å; R141-H184 PolarHBondContact NH2-ND1 3.01Å; R141-N220 HydrophobicContact CG-CB 4.4Å; R141-N220 PolarHBondContact N-OD1 3.34Å; R141-N220 PolarHBondContact NH1-O 3.44Å; R141-P588 WeakPolarHBondContact O-CG 3.39Å | ||
| 142 | G | 96.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 6% | 0.062 | 13% | 0.131 | C | C | . | . | trans | 89.5 | 176 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N582 | G142-N582 WeakPolarHBondContact CA-O 3.39Š| ||
| 143 | S | 96.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | trans | -80.8 | 147.2 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | N145 D146 Y147 Q224 D398 | S143-N145 PolarHBondContact O-N 3.35Å; S143-N145 VanDerWaalsContact O-N 3.13Å; S143-N145 PolarHBondContact OG-N 3.05Å; S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 3.3Å; S143-D146 WeakPolarHBondContact O-CB 3.37Å; S143-D146 PolarHBondContact O-N 3.01Å; S143-Y147 WeakPolarHBondContact O-CD2 3.05Å; S143-Q224 VanDerWaalsContact CB-OE1 3.31Å; S143-D398 PolarHBondContact OG-O 3.49Å | ||
| 144 | K | 97.3 | Very high | 97.5 | Very high | 83 Ų | 83 | 25.9 Ų | 25.9 | 36% | 0.361 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -52.9 | -32 | 166 | 67.3 | -176.1 | 179.8 | -172.2 | 0 | 112.6 | D146 Y147 N148 Y160 | K144-D146 VanDerWaalsContact C-N 3.29Å; K144-D146 PolarHBondContact O-N 2.79Å; K144-Y147 PolarHBondContact O-N 3.17Å; K144-N148 WeakPolarHBondContact O-CB 3.5Å; K144-N148 VanDerWaalsContact O-CG 3.24Å; K144-N148 PolarHBondContact O-N 3.37Å; K144-N148 PolarHBondContact O-ND2 3.44Å; K144-Y160 HydrophobicContact CB-CD1 3.72Å; K144-Y160 HydrophobicContact CB-CD2 3.71Å; K144-Y160 HydrophobicContact CB-CE1 4.17Å; K144-Y160 HydrophobicContact CB-CE2 4.17Å; K144-Y160 HydrophobicContact CB-CG 3.44Å; K144-Y160 VanDerWaalsContact CB-CG 3.44Å |
| 145 | N | 97.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.2 | -25.1 | -178.8 | -64.4 | -44.1 | 0 | 0 | 0 | 112.5 | S143 H149 D398 W399 | S143-N145 PolarHBondContact O-N 3.35Å; S143-N145 VanDerWaalsContact O-N 3.13Å; S143-N145 PolarHBondContact OG-N 3.05Å; N145-H149 WeakPolarHBondContact O-CB 3.44Å; N145-H149 PolarHBondContact O-N 3.32Å; N145-D398 PolarHBondContact ND2-O 2.83Å; N145-W399 HydrophobicContact CB-CB 4.28Å; N145-W399 HydrophobicContact CB-CD2 3.36Å; N145-W399 HydrophobicContact CB-CE3 3.79Å; N145-W399 HydrophobicContact CB-CG 3.6Å; N145-W399 HydrophobicContact CB-CH2 4.43Å; N145-W399 HydrophobicContact CB-CZ2 4.08Å; N145-W399 HydrophobicContact CB-CZ3 4.3Å |
| 146 | D | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 175 | -57.3 | -38.3 | 0 | 0 | 0 | 111.1 | S143 K144 H149 W150 W399 V581 N582 | S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 3.3Å; S143-D146 WeakPolarHBondContact O-CB 3.37Å; S143-D146 PolarHBondContact O-N 3.01Å; K144-D146 VanDerWaalsContact C-N 3.29Å; K144-D146 PolarHBondContact O-N 2.79Å; D146-H149 WeakPolarHBondContact O-CB 3.31Å; D146-H149 PolarHBondContact O-N 3.42Å; D146-W150 PolarHBondContact O-N 2.92Å; D146-W399 PolarHBondContact OD1-NE1 2.93Å; D146-V581 HydrophobicContact CB-CB 4.47Å; D146-V581 HydrophobicContact CB-CG1 4.3Å; D146-N582 VanDerWaalsContact CG-N 3.33Å; D146-N582 PolarHBondContact OD1-N 2.75Å; D146-N582 PolarHBondContact OD1-ND2 2.97Å; D146-N582 WeakPolarHBondContact OD2-CB 3.39Å; D146-N582 PolarHBondContact OD2-N 2.77Å |
| 147 | Y | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -42.9 | -178.4 | -60.2 | -65.1 | 0 | 0 | 0 | 111.6 | R141 S143 K144 H149 W150 A151 W158 Y160 M163 F167 V581 P588 | R141-Y147 WeakPolarHBondContact O-CE2 3.49Å; R141-Y147 PolarHBondContact O-OH 3.42Å; S143-Y147 WeakPolarHBondContact O-CD2 3.05Å; K144-Y147 PolarHBondContact O-N 3.17Å; Y147-H149 PolarHBondContact O-N 3.41Å; Y147-W150 HydrophobicContact CD1-CD2 4.39Å; Y147-W150 AromaticContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CH2 4.32Å; Y147-W150 AromaticContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CE1-CE3 4.14Å; Y147-W150 AromaticContact CE1-CH2 3.86Å; Y147-W150 HydrophobicContact CE1-CH2 3.86Å; Y147-W150 AromaticContact CE1-CZ3 3.61Å; Y147-W150 HydrophobicContact CE1-CZ3 3.61Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 3.43Å; Y147-W150 VanDerWaalsContact O-N 3.12Å; Y147-A151 PolarHBondContact O-N 3.11Å; Y147-W158 CarbonylContact C-O 3.59Å; Y147-W158 WeakPolarHBondContact CA-O 3.49Å; Y147-W158 WeakPolarHBondContact CB-O 3.4Å; Y147-Y160 AromaticContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CE2-CD2 4.39Å; Y147-M163 HydrophobicContact CD1-CB 4.08Å; Y147-M163 HydrophobicContact CD1-CG 3.71Å; Y147-M163 HydrophobicContact CE1-CB 4.43Å; Y147-M163 HydrophobicContact CE1-CE 4.33Å; Y147-M163 HydrophobicContact CE1-CG 4.22Å; Y147-M163 HydrophobicContact CG-CB 4.27Å; Y147-M163 HydrophobicContact CG-CG 4.24Å; Y147-F167 HydrophobicContact CE1-CE2 4.46Å; Y147-F167 HydrophobicContact CE1-CZ 4.44Å; Y147-F167 HydrophobicContact CE2-CE2 4.13Å; Y147-F167 HydrophobicContact CE2-CZ 4.38Å; Y147-F167 AromaticContact CZ-CE2 3.87Å; Y147-F167 AromaticContact CZ-CZ 3.79Å; Y147-F167 VanDerWaalsContact OH-CZ 3.25Å; Y147-F167 WeakPolarHBondContact OH-CZ 3.48Å; Y147-V581 HydrophobicContact CE1-CG1 4.22Å; Y147-P588 WeakPolarHBondContact OH-CG 3.39Å |
| 148 | N | 98.6 | Very high | 98 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 174.2 | -67.4 | -11.7 | 0 | 0 | 0 | 111.3 | K144 A151 S152 Y160 | K144-N148 WeakPolarHBondContact O-CB 3.5Å; K144-N148 VanDerWaalsContact O-CG 3.24Å; K144-N148 PolarHBondContact O-N 3.37Å; K144-N148 PolarHBondContact O-ND2 3.44Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-S152 WeakPolarHBondContact O-CB 3.02Å; N148-S152 PolarHBondContact O-N 2.75Å; N148-Y160 PolarHBondContact OD1-N 3.27Å |
| 149 | H | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 171.8 | -176.4 | 52.6 | 0 | 0 | 0 | 112.4 | N145 D146 Y147 A151 S152 L153 W399 | N145-H149 WeakPolarHBondContact O-CB 3.44Å; N145-H149 PolarHBondContact O-N 3.32Å; D146-H149 WeakPolarHBondContact O-CB 3.31Å; D146-H149 PolarHBondContact O-N 3.42Å; Y147-H149 PolarHBondContact O-N 3.41Å; H149-A151 VanDerWaalsContact C-N 3.28Å; H149-A151 PolarHBondContact O-N 3.32Å; H149-S152 WeakPolarHBondContact CA-OG 3.34Å; H149-S152 PolarHBondContact ND1-OG 3.2Å; H149-S152 PolarHBondContact O-N 3.47Å; H149-S152 VanDerWaalsContact O-N 3.12Å; H149-S152 PolarHBondContact O-OG 3.22Å; H149-L153 WeakPolarHBondContact O-CG 3.1Å; H149-L153 PolarHBondContact O-N 3.35Å; H149-W399 HydrophobicContact CB-CH2 4.09Å; H149-W399 HydrophobicContact CB-CZ2 4.42Å |
| 150 | W | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 173.3 | -65.8 | -1.8 | 0 | 0 | 0 | 111.6 | D146 Y147 L153 N155 W158 M577 P578 T579 V581 | D146-W150 PolarHBondContact O-N 2.92Å; Y147-W150 HydrophobicContact CD1-CD2 4.39Å; Y147-W150 AromaticContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CH2 4.32Å; Y147-W150 AromaticContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CE1-CE3 4.14Å; Y147-W150 AromaticContact CE1-CH2 3.86Å; Y147-W150 HydrophobicContact CE1-CH2 3.86Å; Y147-W150 AromaticContact CE1-CZ3 3.61Å; Y147-W150 HydrophobicContact CE1-CZ3 3.61Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 3.43Å; Y147-W150 VanDerWaalsContact O-N 3.12Å; W150-L153 PolarHBondContact O-N 2.94Å; W150-N155 VanDerWaalsContact O-CB 3.28Å; W150-N155 WeakPolarHBondContact O-CB 3.25Å; W150-N155 PolarHBondContact O-N 3.36Å; W150-N155 PolarHBondContact O-ND2 3.32Å; W150-W158 HydrophobicContact CB-CB 4.3Å; W150-W158 HydrophobicContact CE3-CE3 4.01Å; W150-W158 HydrophobicContact CZ3-CE3 4.07Å; W150-W158 HydrophobicContact CZ3-CZ3 4.4Å; W150-M577 HydrophobicContact CH2-CB 4.3Å; W150-M577 HydrophobicContact CH2-CE 4.34Å; W150-M577 HydrophobicContact CH2-CG 3.71Å; W150-M577 HydrophobicContact CH2-SD 4.26Å; W150-M577 HydrophobicContact CZ2-CB 3.86Å; W150-M577 HydrophobicContact CZ2-CG 3.74Å; W150-M577 HydrophobicContact CZ2-SD 4.23Å; W150-P578 HydrophobicContact CG-CG 4.24Å; W150-T579 WeakPolarHBondContact CZ2-O 3.44Å; W150-T579 PolarHBondContact NE1-O 3.28Å; W150-T579 PolarHBondContact NE1-OG1 3.32Å; W150-T579 VanDerWaalsContact NE1-OG1 3.12Å; W150-V581 HydrophobicContact CH2-CG1 3.68Å; W150-V581 HydrophobicContact CZ2-CG1 3.43Å; W150-V581 VanDerWaalsContact CZ2-CG1 3.43Å |
| 151 | A | 98.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 22% | 0.223 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y147 N148 H149 L153 G154 N155 D159 | Y147-A151 PolarHBondContact O-N 3.11Å; N148-A151 PolarHBondContact O-N 3.32Å; H149-A151 VanDerWaalsContact C-N 3.28Å; H149-A151 PolarHBondContact O-N 3.32Å; A151-L153 PolarHBondContact O-N 3.09Å; A151-G154 PolarHBondContact O-N 3.28Å; A151-N155 WeakPolarHBondContact CA-O 3.4Å; A151-N155 PolarHBondContact O-N 2.87Å; A151-D159 HydrophobicContact CB-CB 3.96Å |
| 152 | S | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 38.1 Ų | 38.1 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.6 | -24.7 | 178.2 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | N148 H149 G154 | N148-S152 WeakPolarHBondContact O-CB 3.02Å; N148-S152 PolarHBondContact O-N 2.75Å; H149-S152 WeakPolarHBondContact CA-OG 3.34Å; H149-S152 PolarHBondContact ND1-OG 3.2Å; H149-S152 PolarHBondContact O-N 3.47Å; H149-S152 VanDerWaalsContact O-N 3.12Å; H149-S152 PolarHBondContact O-OG 3.22Å; S152-G154 PolarHBondContact O-N 3.38Å |
| 153 | L | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 7 | 171.4 | -66.3 | 174.1 | 0 | 0 | 0 | 113.5 | H149 W150 A151 P549 P578 | H149-L153 WeakPolarHBondContact O-CG 3.1Å; H149-L153 PolarHBondContact O-N 3.35Å; W150-L153 PolarHBondContact O-N 2.94Å; A151-L153 PolarHBondContact O-N 3.09Å; L153-P549 WeakPolarHBondContact O-CD 3.47Å; L153-P578 HydrophobicContact CD1-CB 3.82Å |
| 154 | G | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 24.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A151 S152 P156 | A151-G154 PolarHBondContact O-N 3.28Å; S152-G154 PolarHBondContact O-N 3.38Å; G154-P156 WeakPolarHBondContact O-CD 3.44Å |
| 155 | N | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -110.4 | 81 | -179.3 | -55.6 | -68 | 0 | 0 | 0 | 111.3 | W150 A151 W158 M547 G548 P559 | W150-N155 VanDerWaalsContact O-CB 3.28Å; W150-N155 WeakPolarHBondContact O-CB 3.25Å; W150-N155 PolarHBondContact O-N 3.36Å; W150-N155 PolarHBondContact O-ND2 3.32Å; A151-N155 WeakPolarHBondContact CA-O 3.4Å; A151-N155 PolarHBondContact O-N 2.87Å; N155-W158 HydrophobicContact CB-CB 4.2Å; N155-W158 HydrophobicContact CB-CG 4.17Å; N155-W158 WeakPolarHBondContact O-CB 3.3Å; N155-W158 PolarHBondContact O-N 3Å; N155-M547 HydrophobicContact CB-CE 3.79Å; N155-M547 HydrophobicContact CB-SD 4.38Å; N155-M547 WeakPolarHBondContact OD1-CG 3.28Å; N155-G548 VanDerWaalsContact OD1-CA 3.28Å; N155-G548 WeakPolarHBondContact OD1-CA 3.22Å; N155-G548 PolarHBondContact OD1-N 3.28Å; N155-P559 HydrophobicContact CB-CB 4.47Å | ||
| 156 | P | 98 | Very high | 98.4 | Very high | 99 Ų | 99 | 39 Ų | 39 | 64% | 0.643 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 141.8 | -175.1 | 24.1 | -35 | 0 | 0 | 0 | 113.1 | G154 W158 P559 | G154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-W158 PolarHBondContact O-N 3.45Å; P156-P559 HydrophobicContact CG-CB 4.42Å |
| 157 | G | 98.2 | Very high | 98.4 | Very high | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D159 S162 K595 | G157-D159 WeakPolarHBondContact CA-OD2 3.45Å; G157-S162 WeakPolarHBondContact O-CB 3.33Å; G157-S162 PolarHBondContact O-OG 3.05Å; G157-K595 PolarHBondContact O-NZ 2.78Å |
| 158 | W | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -97.3 | 8 | 173.8 | -70 | 90.4 | 0 | 0 | 0 | 113.5 | Y147 W150 N155 P156 M163 M547 P559 L561 I576 I592 K595 | Y147-W158 CarbonylContact C-O 3.59Å; Y147-W158 WeakPolarHBondContact CA-O 3.49Å; Y147-W158 WeakPolarHBondContact CB-O 3.4Å; W150-W158 HydrophobicContact CB-CB 4.3Å; W150-W158 HydrophobicContact CE3-CE3 4.01Å; W150-W158 HydrophobicContact CZ3-CE3 4.07Å; W150-W158 HydrophobicContact CZ3-CZ3 4.4Å; N155-W158 HydrophobicContact CB-CB 4.2Å; N155-W158 HydrophobicContact CB-CG 4.17Å; N155-W158 WeakPolarHBondContact O-CB 3.3Å; N155-W158 PolarHBondContact O-N 3Å; P156-W158 PolarHBondContact O-N 3.45Å; W158-M163 HydrophobicContact CE3-CE 4.34Å; W158-M163 HydrophobicContact CE3-CG 4.47Å; W158-M163 HydrophobicContact CE3-SD 3.55Å; W158-M163 VanDerWaalsContact CE3-SD 3.55Å; W158-M163 HydrophobicContact CZ3-CE 4.09Å; W158-M163 HydrophobicContact CZ3-SD 3.72Å; W158-M547 HydrophobicContact CB-CE 4.4Å; W158-M547 HydrophobicContact CD2-CE 3.59Å; W158-M547 HydrophobicContact CD2-SD 3.91Å; W158-M547 HydrophobicContact CE3-CE 4.22Å; W158-M547 HydrophobicContact CG-CE 3.69Å; W158-M547 HydrophobicContact CG-SD 4.19Å; W158-M547 HydrophobicContact CZ2-CE 4.36Å; W158-M547 HydrophobicContact CZ2-SD 3.72Å; W158-M547 PolarHBondContact NE1-SD 3.27Å; W158-P559 PolarHBondContact NE1-O 3.47Å; W158-L561 HydrophobicContact CH2-CD1 4.2Å; W158-L561 HydrophobicContact CH2-CD2 4.11Å; W158-L561 HydrophobicContact CH2-CG 4.48Å; W158-L561 HydrophobicContact CZ2-CD1 4.13Å; W158-L561 HydrophobicContact CZ2-CD2 3.64Å; W158-L561 HydrophobicContact CZ2-CG 3.97Å; W158-I576 HydrophobicContact CH2-CD1 4.14Å; W158-I576 HydrophobicContact CZ3-CD1 4.39Å; W158-I592 HydrophobicContact CH2-CG1 4.09Å; W158-I592 HydrophobicContact CH2-CG2 4.4Å; W158-I592 HydrophobicContact CZ3-CG1 3.73Å; W158-K595 HydrophobicContact CD2-CD 4.22Å; W158-K595 HydrophobicContact CE3-CD 4.1Å; W158-K595 HydrophobicContact CH2-CD 3.83Å; W158-K595 HydrophobicContact CH2-CG 4.46Å; W158-K595 HydrophobicContact CZ2-CD 3.91Å; W158-K595 HydrophobicContact CZ3-CD 3.9Å; W158-K595 VanDerWaalsContact NE1-NZ 3.14Å | ||
| 159 | D | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 40 Ų | 40 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -63.3 | 165.9 | 169.1 | 55.9 | 89.6 | 0 | 0 | 0 | 112.2 | A151 G157 D161 S162 M163 | A151-D159 HydrophobicContact CB-CB 3.96Å; G157-D159 WeakPolarHBondContact CA-OD2 3.45Å; D159-D161 PolarHBondContact O-N 3.22Å; D159-D161 PolarHBondContact OD1-N 2.86Å; D159-S162 VanDerWaalsContact CG-OG 3.31Å; D159-S162 PolarHBondContact O-N 3.21Å; D159-S162 WeakPolarHBondContact OD1-CB 3.15Å; D159-S162 PolarHBondContact OD1-N 3.44Å; D159-S162 PolarHBondContact OD1-OG 3.27Å; D159-S162 PolarHBondContact OD2-OG 3.22Å; D159-M163 WeakPolarHBondContact O-CG 3.1Å; D159-M163 PolarHBondContact O-N 2.96Å |
| 160 | Y | 98.4 | Very high | 98.4 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 8% | 0.078 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | -174.3 | 179.9 | -112 | 0 | 0 | 0 | 112.9 | K144 Y147 N148 S162 M163 L164 | K144-Y160 HydrophobicContact CB-CD1 3.72Å; K144-Y160 HydrophobicContact CB-CD2 3.71Å; K144-Y160 HydrophobicContact CB-CE1 4.17Å; K144-Y160 HydrophobicContact CB-CE2 4.17Å; K144-Y160 HydrophobicContact CB-CG 3.44Å; K144-Y160 VanDerWaalsContact CB-CG 3.44Å; Y147-Y160 AromaticContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CE2-CD2 4.39Å; N148-Y160 PolarHBondContact OD1-N 3.27Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.42Å; Y160-M163 CarbonylContact O-C 3.59Å; Y160-M163 PolarHBondContact O-N 3.25Å; Y160-M163 VanDerWaalsContact O-N 3.08Å; Y160-L164 HydrophobicContact CE1-CD2 4.13Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 PolarHBondContact O-N 3.14Å |
| 161 | D | 97.9 | Very high | 98.4 | Very high | 128 Ų | 128 | 37.3 Ų | 37.3 | 68% | 0.684 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.5 | -40.8 | -177.4 | -67.1 | -15.4 | 0 | 0 | 0 | 110.9 | D159 | D159-D161 PolarHBondContact O-N 3.22Å; D159-D161 PolarHBondContact OD1-N 2.86Å |
| 162 | S | 98.3 | Very high | 98.3 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 173.9 | -63 | 0 | 0 | 0 | 0 | 113 | G157 D159 Y160 Y166 | G157-S162 WeakPolarHBondContact O-CB 3.33Å; G157-S162 PolarHBondContact O-OG 3.05Å; D159-S162 VanDerWaalsContact CG-OG 3.31Å; D159-S162 PolarHBondContact O-N 3.21Å; D159-S162 WeakPolarHBondContact OD1-CB 3.15Å; D159-S162 PolarHBondContact OD1-N 3.44Å; D159-S162 PolarHBondContact OD1-OG 3.27Å; D159-S162 PolarHBondContact OD2-OG 3.22Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.42Å; S162-Y166 VanDerWaalsContact O-CD2 3.24Å; S162-Y166 WeakPolarHBondContact O-CD2 3.19Å; S162-Y166 WeakPolarHBondContact O-CE2 3.42Å |
| 163 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.5 | -34.5 | -179 | -73.2 | -59.2 | -61.8 | 0 | 0 | 113.5 | Y147 W158 D159 Y160 K165 Y166 F167 A591 K595 | Y147-M163 HydrophobicContact CD1-CB 4.08Å; Y147-M163 HydrophobicContact CD1-CG 3.71Å; Y147-M163 HydrophobicContact CE1-CB 4.43Å; Y147-M163 HydrophobicContact CE1-CE 4.33Å; Y147-M163 HydrophobicContact CE1-CG 4.22Å; Y147-M163 HydrophobicContact CG-CB 4.27Å; Y147-M163 HydrophobicContact CG-CG 4.24Å; W158-M163 HydrophobicContact CE3-CE 4.34Å; W158-M163 HydrophobicContact CE3-CG 4.47Å; W158-M163 HydrophobicContact CE3-SD 3.55Å; W158-M163 VanDerWaalsContact CE3-SD 3.55Å; W158-M163 HydrophobicContact CZ3-CE 4.09Å; W158-M163 HydrophobicContact CZ3-SD 3.72Å; D159-M163 WeakPolarHBondContact O-CG 3.1Å; D159-M163 PolarHBondContact O-N 2.96Å; Y160-M163 CarbonylContact O-C 3.59Å; Y160-M163 PolarHBondContact O-N 3.25Å; Y160-M163 VanDerWaalsContact O-N 3.08Å; M163-K165 PolarHBondContact O-N 3.45Å; M163-Y166 PolarHBondContact O-N 2.95Å; M163-Y166 HydrophobicContact SD-CD2 4.44Å; M163-F167 HydrophobicContact CB-CD2 4.5Å; M163-F167 HydrophobicContact CB-CE2 4.06Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.42Å; M163-F167 PolarHBondContact O-N 3.22Å; M163-A591 HydrophobicContact CE-CB 3.74Å; M163-K595 HydrophobicContact SD-CD 3.79Å |
| 164 | L | 98.3 | Very high | 98.2 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53 | -43.6 | 179.3 | 180 | 57.8 | 0 | 0 | 0 | 111.1 | Y160 Y166 F167 L168 Y183 | Y160-L164 HydrophobicContact CE1-CD2 4.13Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 PolarHBondContact O-N 3.14Å; L164-Y166 PolarHBondContact O-N 3Å; L164-Y166 VanDerWaalsContact O-N 3.16Å; L164-F167 WeakPolarHBondContact O-CB 3.28Å; L164-F167 PolarHBondContact O-N 2.03Å; L164-F167 VanDerWaalsContact O-N 3.11Å; L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CD2 4.4Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.94Å; L164-Y183 HydrophobicContact CD2-CD1 4.38Å |
| 165 | K | 98 | Very high | 98 | Very high | 94 Ų | 94 | 36.3 Ų | 36.3 | 41% | 0.409 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -50.6 | -41.2 | 174.3 | 177.6 | 179.6 | -180 | 177.2 | 0 | 113.3 | M163 K169 R608 | M163-K165 PolarHBondContact O-N 3.45Å; K165-K169 VanDerWaalsContact O-CB 3.32Å; K165-K169 WeakPolarHBondContact O-CB 3.44Å; K165-K169 PolarHBondContact O-N 2.95Å; K165-R608 VanDerWaalsContact NZ-CZ 3.29Å; K165-R608 VanDerWaalsContact NZ-NH2 3.1Å |
| 166 | Y | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -81.6 | -26.7 | -176.1 | -63.5 | -64.1 | 0 | 0 | 0 | 112.8 | S162 M163 L164 K169 E594 K595 D598 | S162-Y166 VanDerWaalsContact O-CD2 3.24Å; S162-Y166 WeakPolarHBondContact O-CD2 3.19Å; S162-Y166 WeakPolarHBondContact O-CE2 3.42Å; M163-Y166 PolarHBondContact O-N 2.95Å; M163-Y166 HydrophobicContact SD-CD2 4.44Å; L164-Y166 PolarHBondContact O-N 3Å; L164-Y166 VanDerWaalsContact O-N 3.16Å; Y166-K169 HydrophobicContact CD1-CD 4.4Å; Y166-E594 HydrophobicContact CD1-CB 3.74Å; Y166-E594 HydrophobicContact CG-CB 4.18Å; Y166-K595 HydrophobicContact CD1-CB 4.22Å; Y166-K595 HydrophobicContact CD2-CB 3.63Å; Y166-K595 HydrophobicContact CD2-CD 4.18Å; Y166-K595 HydrophobicContact CD2-CG 4.08Å; Y166-K595 HydrophobicContact CE1-CB 4.15Å; Y166-K595 HydrophobicContact CE2-CB 3.56Å; Y166-K595 HydrophobicContact CE2-CD 3.78Å; Y166-K595 HydrophobicContact CE2-CG 3.54Å; Y166-K595 HydrophobicContact CG-CB 3.96Å; Y166-D598 HydrophobicContact CE1-CB 4.22Å |
| 167 | F | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -52.6 | 166.1 | -69.9 | -66.3 | 0 | 0 | 0 | 111 | R141 Y147 M163 L164 K169 S170 E171 A587 P588 A591 | R141-F167 HydrophobicContact CB-CD1 4.1Å; R141-F167 HydrophobicContact CB-CD2 4.47Å; R141-F167 HydrophobicContact CB-CE1 3.9Å; R141-F167 HydrophobicContact CB-CE2 4.31Å; R141-F167 HydrophobicContact CB-CG 4.39Å; R141-F167 HydrophobicContact CB-CZ 4.05Å; R141-F167 HydrophobicContact CG-CB 4.47Å; R141-F167 HydrophobicContact CG-CD1 3.61Å; R141-F167 HydrophobicContact CG-CD2 4.47Å; R141-F167 HydrophobicContact CG-CE1 3.88Å; R141-F167 HydrophobicContact CG-CG 3.95Å; R141-F167 HydrophobicContact CG-CZ 4.46Å; Y147-F167 HydrophobicContact CE1-CE2 4.46Å; Y147-F167 HydrophobicContact CE1-CZ 4.44Å; Y147-F167 HydrophobicContact CE2-CE2 4.13Å; Y147-F167 HydrophobicContact CE2-CZ 4.38Å; Y147-F167 AromaticContact CZ-CE2 3.87Å; Y147-F167 AromaticContact CZ-CZ 3.79Å; Y147-F167 VanDerWaalsContact OH-CZ 3.25Å; Y147-F167 WeakPolarHBondContact OH-CZ 3.48Å; M163-F167 HydrophobicContact CB-CD2 4.5Å; M163-F167 HydrophobicContact CB-CE2 4.06Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.42Å; M163-F167 PolarHBondContact O-N 3.22Å; L164-F167 WeakPolarHBondContact O-CB 3.28Å; L164-F167 PolarHBondContact O-N 2.03Å; L164-F167 VanDerWaalsContact O-N 3.11Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.41Å; F167-S170 PolarHBondContact O-N 2.9Å; F167-E171 WeakPolarHBondContact O-CB 3.37Å; F167-E171 PolarHBondContact O-N 2.83Å; F167-A587 HydrophobicContact CE1-CB 4.25Å; F167-A587 WeakPolarHBondContact CE1-O 3.19Å; F167-P588 HydrophobicContact CE1-CG 4.38Å; F167-P588 HydrophobicContact CZ-CB 4.41Å; F167-P588 HydrophobicContact CZ-CG 4.32Å; F167-A591 HydrophobicContact CD1-CB 3.72Å; F167-A591 HydrophobicContact CD2-CB 4.35Å; F167-A591 HydrophobicContact CE1-CB 3.54Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; F167-A591 HydrophobicContact CG-CB 4.11Å; F167-A591 HydrophobicContact CZ-CB 3.76Å |
| 168 | L | 98.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 178.8 | -62.8 | 178.1 | 0 | 0 | 0 | 111.8 | L164 S170 E171 Y183 E185 | L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CD2 4.4Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.94Å; L168-S170 PolarHBondContact O-N 3.35Å; L168-S170 VanDerWaalsContact O-N 3.15Å; L168-E171 PolarHBondContact O-N 3.01Å; L168-E171 VanDerWaalsContact O-N 3.1Å; L168-Y183 VanDerWaalsContact CD2-C 3.49Å; L168-Y183 VanDerWaalsContact CD2-O 3.31Å; L168-Y183 WeakPolarHBondContact CD2-O 3.37Å; L168-E185 HydrophobicContact CB-CB 3.93Å; L168-E185 HydrophobicContact CD2-CB 4.03Å; L168-E185 WeakPolarHBondContact O-CB 3.4Å |
| 169 | K | 98.2 | Very high | 97 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.7 | -33.1 | 179.7 | -175.7 | -179.6 | 179.5 | -159.2 | 0 | 114.2 | K165 Y166 F167 E594 D598 | K165-K169 VanDerWaalsContact O-CB 3.32Å; K165-K169 WeakPolarHBondContact O-CB 3.44Å; K165-K169 PolarHBondContact O-N 2.95Å; Y166-K169 HydrophobicContact CD1-CD 4.4Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.41Å; K169-E594 HydrophobicContact CD-CG 4.36Å; K169-E594 VanDerWaalsContact CD-OE2 3.26Å; K169-E594 WeakPolarHBondContact CD-OE2 3.23Å; K169-E594 WeakPolarHBondContact CE-OE2 3.17Å; K169-E594 IonicContact NZ-OE2 2.85Å; K169-E594 PolarHBondContact NZ-OE2 2.87Å; K169-D598 IonicContact NZ-OD1 3.4Å; K169-D598 PolarHBondContact NZ-OD1 2.76Å; K169-D598 VanDerWaalsContact NZ-OD1 3.11Å |
| 170 | S | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -88.1 | -24.6 | 180 | -71.6 | 0 | 0 | 0 | 0 | 113 | F167 L168 G188 Y189 L190 I590 E594 | F167-S170 PolarHBondContact O-N 2.9Å; L168-S170 PolarHBondContact O-N 3.35Å; L168-S170 VanDerWaalsContact O-N 3.15Å; S170-G188 CarbonylContact O-C 3.58Å; S170-Y189 PolarHBondContact O-N 3.35Å; S170-Y189 VanDerWaalsContact O-N 3.16Å; S170-L190 VanDerWaalsContact O-CB 3.31Å; S170-L190 WeakPolarHBondContact O-CB 3.49Å; S170-L190 PolarHBondContact O-N 3.13Å; S170-I590 WeakPolarHBondContact OG-CG2 3.27Å; S170-E594 WeakPolarHBondContact OG-CG 3.27Å; S170-E594 PolarHBondContact OG-OE1 3.16Å |
| 171 | E | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.6 | -165.7 | -172.7 | 172.3 | -91.1 | 0 | 0 | 112.9 | Y139 R141 F167 L168 V173 H184 E185 G188 V192 | Y139-E171 WeakPolarHBondContact CE1-OE1 3.39Å; Y139-E171 VanDerWaalsContact CZ-OE1 3.32Å; Y139-E171 PolarHBondContact OH-OE1 3.26Å; R141-E171 IonicContact CZ-OE1 2.64Å; R141-E171 IonicContact NE-OE1 2.68Å; R141-E171 IonicContact NH2-OE1 3.11Å; R141-E171 PolarHBondContact NH2-OE1 3.22Å; R141-E171 IonicContact NH2-OE2 2.74Å; R141-E171 PolarHBondContact NH2-OE2 2.71Å; F167-E171 WeakPolarHBondContact O-CB 3.37Å; F167-E171 PolarHBondContact O-N 2.83Å; L168-E171 PolarHBondContact O-N 3.01Å; L168-E171 VanDerWaalsContact O-N 3.1Å; E171-V173 HydrophobicContact CG-CB 4.24Å; E171-H184 IonicContact OE1-ND1 3.49Å; E171-H184 PolarHBondContact OE1-ND1 3.05Å; E171-H184 WeakPolarHBondContact OE2-CA 3.33Å; E171-H184 WeakPolarHBondContact OE2-CB 3.31Å; E171-H184 IonicContact OE2-CE1 3.87Å; E171-H184 IonicContact OE2-CG 2.67Å; E171-H184 IonicContact OE2-ND1 2.77Å; E171-H184 PolarHBondContact OE2-ND1 3.2Å; E171-E185 CarbonylContact C-O 3.45Å; E171-E185 PolarHBondContact OE2-N 2.69Å; E171-E185 VanDerWaalsContact OE2-N 3.12Å; E171-G188 VanDerWaalsContact O-CA 3.23Å; E171-G188 WeakPolarHBondContact O-CA 3.21Å; E171-G188 PolarHBondContact O-N 3.04Å; E171-V192 HydrophobicContact CG-CB 4.34Å; E171-V192 HydrophobicContact CG-CG2 4.14Å |
| 172 | D | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 79.9 | 167.3 | 172.5 | 43.5 | 0 | 0 | 0 | 108.2 | R174 G187 G188 L190 T191 V192 | D172-R174 VanDerWaalsContact CG-NE 3.28Å; D172-R174 IonicContact OD1-CZ 2.82Å; D172-R174 IonicContact OD1-NE 3.56Å; D172-R174 PolarHBondContact OD1-NE 2.95Å; D172-R174 IonicContact OD1-NH2 3.6Å; D172-R174 IonicContact OD2-CZ 3.74Å; D172-R174 IonicContact OD2-NE 2.79Å; D172-R174 PolarHBondContact OD2-NE 2.67Å; D172-R174 IonicContact OD2-NH2 3.59Å; D172-R174 PolarHBondContact OD2-NH2 3.36Å; D172-G187 PolarHBondContact OD1-N 3.46Å; D172-G187 VanDerWaalsContact OD1-N 3.11Å; D172-G188 WeakPolarHBondContact CB-O 3.31Å; D172-L190 PolarHBondContact N-O 3.19Å; D172-T191 WeakPolarHBondContact O-CA 3.43Å; D172-T191 PolarHBondContact OD2-OG1 3.21Å; D172-V192 PolarHBondContact O-N 3.17Å |
| 173 | V | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 131.1 | -178.5 | 75.2 | 0 | 0 | 0 | 0 | 110.3 | E171 N175 L178 A179 H184 E185 T186 V192 | E171-V173 HydrophobicContact CG-CB 4.24Å; V173-N175 HydrophobicContact CG2-CB 4.19Å; V173-L178 HydrophobicContact CG2-CB 4.03Å; V173-L178 HydrophobicContact CG2-CD1 4.34Å; V173-A179 HydrophobicContact CG1-CB 3.82Å; V173-H184 HydrophobicContact CB-CB 4.49Å; V173-H184 HydrophobicContact CG1-CB 4.03Å; V173-E185 WeakPolarHBondContact CG1-O 3.34Å; V173-E185 PolarHBondContact N-O 3.23Å; V173-T186 HydrophobicContact CG1-CG2 3.79Å; V173-V192 CarbonylContact C-O 3.55Å; V173-V192 WeakPolarHBondContact CA-O 3.5Å |
| 174 | R | 96.3 | Very high | 96 | Very high | 140 Ų | 140 | 52.2 Ų | 52.2 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | trans | -104.9 | -1.5 | 177.3 | -51.9 | -60 | -172.3 | 119.9 | -7.9 | 114.2 | D172 P176 T191 V192 Q193 | D172-R174 VanDerWaalsContact CG-NE 3.28Å; D172-R174 IonicContact OD1-CZ 2.82Å; D172-R174 IonicContact OD1-NE 3.56Å; D172-R174 PolarHBondContact OD1-NE 2.95Å; D172-R174 IonicContact OD1-NH2 3.6Å; D172-R174 IonicContact OD2-CZ 3.74Å; D172-R174 IonicContact OD2-NE 2.79Å; D172-R174 PolarHBondContact OD2-NE 2.67Å; D172-R174 IonicContact OD2-NH2 3.59Å; D172-R174 PolarHBondContact OD2-NH2 3.36Å; R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å; R174-T191 HydrophobicContact CG-CG2 3.5Å; R174-V192 PolarHBondContact N-O 3.19Å; R174-Q193 HydrophobicContact CB-CB 4.01Å | ||
| 175 | N | 94.8 | Very high | 96 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | trans | -81.2 | 110.8 | 174.4 | -68.5 | 81.4 | 0 | 0 | 0 | 110.4 | V173 Y177 L178 A179 Q193 E194 | V173-N175 HydrophobicContact CG2-CB 4.19Å; N175-Y177 VanDerWaalsContact C-N 3.26Å; N175-Y177 HydrophobicContact CB-CD1 4.21Å; N175-Y177 HydrophobicContact CB-CE1 3.66Å; N175-Y177 WeakPolarHBondContact ND2-CE1 3.45Å; N175-Y177 PolarHBondContact ND2-OH 3.38Å; N175-Y177 PolarHBondContact O-N 3.27Å; N175-L178 HydrophobicContact CB-CB 4.12Å; N175-L178 HydrophobicContact CB-CD1 3.81Å; N175-L178 HydrophobicContact CB-CG 4Å; N175-L178 PolarHBondContact O-N 2.89Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å; N175-Q193 WeakPolarHBondContact OD1-CA 3.48Å; N175-E194 WeakPolarHBondContact ND2-CG 3.41Å; N175-E194 PolarHBondContact OD1-N 3.25Å | ||
| 176 | P | 93.2 | Very high | 95.9 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.1 | -173.2 | -25.1 | 36.4 | 0 | 0 | 0 | 114.8 | R174 L178 | R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-L178 VanDerWaalsContact C-N 3.33Å |
| 177 | Y | 92.8 | Very high | 95.8 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -21 | 177.4 | 62.2 | -84.5 | 0 | 0 | 0 | 112.8 | N175 E194 | N175-Y177 VanDerWaalsContact C-N 3.26Å; N175-Y177 HydrophobicContact CB-CD1 4.21Å; N175-Y177 HydrophobicContact CB-CE1 3.66Å; N175-Y177 WeakPolarHBondContact ND2-CE1 3.45Å; N175-Y177 PolarHBondContact ND2-OH 3.38Å; N175-Y177 PolarHBondContact O-N 3.27Å; Y177-E194 PolarHBondContact OH-OE1 3.27Å |
| 178 | L | 94.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -35.9 | 176.4 | -64.6 | 179.2 | 0 | 0 | 0 | 112.2 | V173 N175 P176 K180 T181 H184 D218 Q231 | V173-L178 HydrophobicContact CG2-CB 4.03Å; V173-L178 HydrophobicContact CG2-CD1 4.34Å; N175-L178 HydrophobicContact CB-CB 4.12Å; N175-L178 HydrophobicContact CB-CD1 3.81Å; N175-L178 HydrophobicContact CB-CG 4Å; N175-L178 PolarHBondContact O-N 2.89Å; P176-L178 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.88Å; L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 WeakPolarHBondContact O-CG2 3.41Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 PolarHBondContact O-OG1 2.82Å; L178-H184 WeakPolarHBondContact O-CB 2.84Å; L178-D218 HydrophobicContact CD2-CB 3.97Å; L178-Q231 HydrophobicContact CD1-CG 4.47Å |
| 179 | A | 91.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -15.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V173 N175 T186 | V173-A179 HydrophobicContact CG1-CB 3.82Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å; A179-T186 HydrophobicContact CB-CG2 3.94Å |
| 180 | K | 89.3 | Confident | 95.7 | Very high | 192 Ų | 192 | 56.1 Ų | 56.1 | 84% | 0.835 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.5 | 178.9 | -61.6 | -177.4 | -179.3 | -178.2 | 0 | 113.7 | L178 | L178-K180 PolarHBondContact O-N 2.88Š|
| 181 | T | 93.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 56 Ų | 56 | 27% | 0.27 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -93.6 | 153.2 | -178.6 | 71.8 | 0 | 0 | 0 | 0 | 110.3 | L178 Y183 H184 | L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 WeakPolarHBondContact O-CG2 3.41Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 PolarHBondContact O-OG1 2.82Å; T181-Y183 PolarHBondContact O-N 3.47Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; T181-H184 PolarHBondContact O-N 2.81Å; T181-H184 PolarHBondContact OG1-CD2 3.33Å |
| 182 | P | 94.5 | Very high | 95.7 | Very high | 104 Ų | 104 | 56 Ų | 56 | 68% | 0.675 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -4.7 | 178.6 | 30.4 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 183 | Y | 96.2 | Very high | 95.6 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 28% | 0.275 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.5 | -179 | -61 | -79.5 | 0 | 0 | 0 | 112.5 | R141 L164 L168 T181 A222 | R141-Y183 PolarHBondContact NH1-O 3.49Å; R141-Y183 PolarHBondContact NH2-O 3.37Å; L164-Y183 HydrophobicContact CD2-CD1 4.38Å; L168-Y183 VanDerWaalsContact CD2-C 3.49Å; L168-Y183 VanDerWaalsContact CD2-O 3.31Å; L168-Y183 WeakPolarHBondContact CD2-O 3.37Å; T181-Y183 PolarHBondContact O-N 3.47Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-A222 HydrophobicContact CE1-CB 4.41Å; Y183-A222 HydrophobicContact CE2-CB 3.69Å; Y183-A222 WeakPolarHBondContact OH-CB 3.38Å |
| 184 | H | 97.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | trans | -136.2 | 151.5 | -177.6 | -73 | -70.5 | 0 | 0 | 0 | 112.6 | R141 E171 V173 L178 T181 D218 | R141-H184 PolarHBondContact NH2-ND1 3.01Å; E171-H184 IonicContact OE1-ND1 3.49Å; E171-H184 PolarHBondContact OE1-ND1 3.05Å; E171-H184 WeakPolarHBondContact OE2-CA 3.33Å; E171-H184 WeakPolarHBondContact OE2-CB 3.31Å; E171-H184 IonicContact OE2-CE1 3.87Å; E171-H184 IonicContact OE2-CG 2.67Å; E171-H184 IonicContact OE2-ND1 2.77Å; E171-H184 PolarHBondContact OE2-ND1 3.2Å; V173-H184 HydrophobicContact CB-CB 4.49Å; V173-H184 HydrophobicContact CG1-CB 4.03Å; L178-H184 WeakPolarHBondContact O-CB 2.84Å; T181-H184 PolarHBondContact O-N 2.81Å; T181-H184 PolarHBondContact OG1-CD2 3.33Å; H184-D218 IonicContact CD2-OD2 2.75Å; H184-D218 IonicContact CE1-OD2 3.01Å; H184-D218 IonicContact NE2-OD1 3.57Å; H184-D218 IonicContact NE2-OD2 3.58Å; H184-D218 PolarHBondContact NE2-OD2 3.2Å | ||
| 185 | E | 97 | Very high | 95.2 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | trans | -135.2 | 153.7 | -178 | -166.4 | 62 | -99.4 | 0 | 0 | 110.9 | L168 E171 V173 | L168-E185 HydrophobicContact CB-CB 3.93Å; L168-E185 HydrophobicContact CD2-CB 4.03Å; L168-E185 WeakPolarHBondContact O-CB 3.4Å; E171-E185 CarbonylContact C-O 3.45Å; E171-E185 PolarHBondContact OE2-N 2.69Å; E171-E185 VanDerWaalsContact OE2-N 3.12Å; V173-E185 WeakPolarHBondContact CG1-O 3.34Å; V173-E185 PolarHBondContact N-O 3.23Å | ||
| 186 | T | 97.2 | Very high | 94.9 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -114.5 | 156.3 | 176 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | V173 A179 | V173-T186 HydrophobicContact CG1-CG2 3.79Å; A179-T186 HydrophobicContact CB-CG2 3.94Å |
| 187 | G | 95.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 86 | 2.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | D172 | D172-G187 PolarHBondContact OD1-N 3.46Å; D172-G187 VanDerWaalsContact OD1-N 3.11Å |
| 188 | G | 97.7 | Very high | 94.9 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -65.2 | 179.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S170 E171 D172 | S170-G188 CarbonylContact O-C 3.58Å; E171-G188 VanDerWaalsContact O-CA 3.23Å; E171-G188 WeakPolarHBondContact O-CA 3.21Å; E171-G188 PolarHBondContact O-N 3.04Å; D172-G188 WeakPolarHBondContact CB-O 3.31Å |
| 189 | Y | 97.8 | Very high | 95 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -80.5 | -29.3 | -178.7 | -78.5 | -72.2 | 0 | 0 | 0 | 113.3 | S170 R235 A245 F246 P249 | S170-Y189 PolarHBondContact O-N 3.35Å; S170-Y189 VanDerWaalsContact O-N 3.16Å; Y189-R235 PolarHBondContact O-NH2 2.99Å; Y189-A245 WeakPolarHBondContact CB-O 3.42Å; Y189-A245 WeakPolarHBondContact CD1-O 3.49Å; Y189-A245 WeakPolarHBondContact O-CA 3.42Å; Y189-A245 WeakPolarHBondContact O-CB 3.23Å; Y189-F246 AromaticContact CD2-CD1 3.92Å; Y189-F246 HydrophobicContact CD2-CD1 3.92Å; Y189-F246 AromaticContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CG-CD1 4.03Å; Y189-F246 HydrophobicContact CG-CE1 4.12Å; Y189-P249 HydrophobicContact CD1-CG 4.45Å; Y189-P249 HydrophobicContact CE1-CB 4.26Å |
| 190 | L | 98.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.3 | -172.9 | -175 | 74.7 | 0 | 0 | 0 | 110.3 | Y139 S170 D172 V192 T233 A245 F246 I590 | Y139-L190 HydrophobicContact CD2-CD2 4.22Å; Y139-L190 HydrophobicContact CE2-CD2 3.87Å; S170-L190 VanDerWaalsContact O-CB 3.31Å; S170-L190 WeakPolarHBondContact O-CB 3.49Å; S170-L190 PolarHBondContact O-N 3.13Å; D172-L190 PolarHBondContact N-O 3.19Å; L190-V192 HydrophobicContact CD2-CG2 4.29Å; L190-V192 HydrophobicContact CG-CG2 4.37Å; L190-V192 PolarHBondContact O-N 3.29Å; L190-T233 HydrophobicContact CD1-CG2 3.88Å; L190-T233 HydrophobicContact CD2-CG2 3.83Å; L190-T233 HydrophobicContact CG-CG2 3.97Å; L190-A245 HydrophobicContact CB-CB 4.4Å; L190-A245 HydrophobicContact CD1-CB 4.03Å; L190-F246 HydrophobicContact CB-CE2 4.2Å; L190-F246 HydrophobicContact CB-CZ 4.38Å; L190-I590 HydrophobicContact CD1-CD1 4.36Å; L190-I590 HydrophobicContact CD2-CD1 3.7Å |
| 191 | T | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 125.7 | 177 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | D172 R174 T233 I234 R235 | D172-T191 WeakPolarHBondContact O-CA 3.43Å; D172-T191 PolarHBondContact OD2-OG1 3.21Å; R174-T191 HydrophobicContact CG-CG2 3.5Å; T191-T233 WeakPolarHBondContact O-CA 3.26Å; T191-I234 WeakPolarHBondContact CB-O 3.09Å; T191-I234 WeakPolarHBondContact CG2-O 3.48Å; T191-I234 PolarHBondContact O-N 3.35Å; T191-R235 HydrophobicContact CG2-CB 4.19Å; T191-R235 HydrophobicContact CG2-CG 4.43Å; T191-R235 PolarHBondContact OG1-NE 2.79Å; T191-R235 PolarHBondContact OG1-NH2 3.35Å |
| 192 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.3 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | Y139 E171 D172 V173 R174 L190 Q231 S232 | Y139-V192 HydrophobicContact CD1-CB 4.5Å; Y139-V192 HydrophobicContact CD1-CG1 3.54Å; Y139-V192 HydrophobicContact CD1-CG2 4.13Å; Y139-V192 HydrophobicContact CD2-CG1 4.43Å; Y139-V192 HydrophobicContact CD2-CG2 3.73Å; Y139-V192 HydrophobicContact CE1-CG1 3.95Å; Y139-V192 HydrophobicContact CE1-CG2 4.06Å; Y139-V192 HydrophobicContact CE2-CG2 3.69Å; Y139-V192 HydrophobicContact CG-CG1 3.79Å; Y139-V192 HydrophobicContact CG-CG2 3.94Å; E171-V192 HydrophobicContact CG-CB 4.34Å; E171-V192 HydrophobicContact CG-CG2 4.14Å; D172-V192 PolarHBondContact O-N 3.17Å; V173-V192 CarbonylContact C-O 3.55Å; V173-V192 WeakPolarHBondContact CA-O 3.5Å; R174-V192 PolarHBondContact N-O 3.19Å; L190-V192 HydrophobicContact CD2-CG2 4.29Å; L190-V192 HydrophobicContact CG-CG2 4.37Å; L190-V192 PolarHBondContact O-N 3.29Å; V192-Q231 HydrophobicContact CG1-CB 4.04Å; V192-S232 WeakPolarHBondContact CA-O 3.44Å |
| 193 | Q | 95.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 159.4 | 176.3 | 56.9 | 172.8 | 83 | 0 | 0 | 113.4 | R174 N175 S232 I234 | R174-Q193 HydrophobicContact CB-CB 4.01Å; N175-Q193 WeakPolarHBondContact OD1-CA 3.48Å; Q193-S232 PolarHBondContact N-O 2.95Å; Q193-S232 WeakPolarHBondContact O-CA 3.33Å; Q193-S232 WeakPolarHBondContact O-CB 3.5Å; Q193-S232 PolarHBondContact O-N 2.85Å; Q193-S232 VanDerWaalsContact O-O 3.06Å; Q193-I234 HydrophobicContact CG-CB 4.19Å; Q193-I234 HydrophobicContact CG-CG2 4.42Å; Q193-I234 WeakPolarHBondContact CG-O 3.31Å |
| 194 | E | 94.6 | Very high | 95.9 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 148.1 | 162.7 | -67.4 | -176.7 | 177.5 | 0 | 0 | 111.1 | N175 Y177 R198 L229 | N175-E194 WeakPolarHBondContact ND2-CG 3.41Å; N175-E194 PolarHBondContact OD1-N 3.25Å; Y177-E194 PolarHBondContact OH-OE1 3.27Å; E194-R198 IonicContact OE2-CZ 2.66Å; E194-R198 IonicContact OE2-NH1 3.49Å; E194-R198 PolarHBondContact OE2-NH1 3.36Å; E194-R198 IonicContact OE2-NH2 2.85Å; E194-R198 PolarHBondContact OE2-NH2 3.1Å; E194-L229 HydrophobicContact CG-CB 4.47Å |
| 195 | A | 90.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | trans | -61.8 | 137.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W197 R198 I234 | A195-W197 PolarHBondContact O-N 3.15Å; A195-R198 PolarHBondContact O-NH2 2.91Å; A195-I234 HydrophobicContact CB-CD1 4.43Å | ||
| 196 | P | 88.5 | Confident | 96 | Very high | 73 Ų | 73 | 32.6 Ų | 32.6 | 47% | 0.474 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -71.8 | -17.6 | -177.9 | 29.3 | -34.4 | 0 | 0 | 0 | 112.7 | T378 | P196-T378 HydrophobicContact CG-CG2 3.96Å; P196-T378 WeakPolarHBondContact CG-OG1 2.97Å |
| 197 | W | 92.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 32.7 Ų | 32.7 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | trans | -122.2 | 142.7 | 176.8 | -173.8 | 92.9 | 0 | 0 | 0 | 110.3 | A195 T199 F360 G375 P376 T378 F379 | A195-W197 PolarHBondContact O-N 3.15Å; W197-T199 HydrophobicContact CH2-CG2 3.52Å; W197-T199 HydrophobicContact CZ3-CG2 3.92Å; W197-F360 HydrophobicContact CH2-CD1 4.4Å; W197-F360 AromaticContact CH2-CE1 3.21Å; W197-F360 HydrophobicContact CH2-CE1 3.21Å; W197-F360 AromaticContact CH2-CZ 3.61Å; W197-F360 HydrophobicContact CH2-CZ 3.61Å; W197-F360 AromaticContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CZ 4.03Å; W197-F360 AromaticContact CZ3-CE1 3.77Å; W197-F360 HydrophobicContact CZ3-CE1 3.77Å; W197-G375 WeakPolarHBondContact CB-O 3.36Å; W197-P376 HydrophobicContact CD2-CB 4.12Å; W197-P376 HydrophobicContact CD2-CG 4.31Å; W197-P376 HydrophobicContact CE3-CB 4.38Å; W197-P376 HydrophobicContact CZ2-CB 4.16Å; W197-P376 HydrophobicContact CZ2-CG 4.09Å; W197-T378 WeakPolarHBondContact CB-OG1 3.44Å; W197-F379 HydrophobicContact CE3-CB 4.03Å; W197-F379 HydrophobicContact CZ3-CB 4.27Å; W197-F379 HydrophobicContact CZ3-CG 4.42Å | ||
| 198 | R | 93.9 | Very high | 96.2 | Very high | 88 Ų | 88 | 29.4 Ų | 29.4 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | trans | -154.5 | 158.3 | 176.8 | 67 | -165.9 | 70.4 | 168.3 | -9.7 | 111.9 | E194 A195 S202 E383 | E194-R198 IonicContact OE2-CZ 2.66Å; E194-R198 IonicContact OE2-NH1 3.49Å; E194-R198 PolarHBondContact OE2-NH1 3.36Å; E194-R198 IonicContact OE2-NH2 2.85Å; E194-R198 PolarHBondContact OE2-NH2 3.1Å; A195-R198 PolarHBondContact O-NH2 2.91Å; R198-S202 VanDerWaalsContact CD-OG 3.3Å; R198-S202 WeakPolarHBondContact CD-OG 3.1Å; R198-E383 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 199 | T | 95.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | trans | -79.8 | 161.1 | 171.5 | 77.6 | 0 | 0 | 0 | 0 | 111.3 | W197 L201 S202 V355 E383 P408 | W197-T199 HydrophobicContact CH2-CG2 3.52Å; W197-T199 HydrophobicContact CZ3-CG2 3.92Å; T199-L201 PolarHBondContact O-N 3.5Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.12Å; T199-L201 PolarHBondContact OG1-N 2.86Å; T199-L201 VanDerWaalsContact OG1-N 3.1Å; T199-S202 PolarHBondContact O-N 3.32Å; T199-S202 PolarHBondContact O-OG 2.7Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; T199-V355 HydrophobicContact CG2-CG2 3.98Å; T199-E383 WeakPolarHBondContact CB-OE2 3.46Å; T199-E383 PolarHBondContact N-OE1 3.25Å; T199-E383 PolarHBondContact OG1-OE2 3.48Å; T199-P408 HydrophobicContact CG2-CB 3.77Å; T199-P408 HydrophobicContact CG2-CG 3.93Å | ||
| 200 | P | 95.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 30.6 Ų | 30.6 | 47% | 0.474 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.5 | -20.1 | 168.9 | -25.1 | 35.6 | 0 | 0 | 0 | 114.4 | S202 I203 A204 | P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 3.04Å; P200-I203 PolarHBondContact O-N 3.21Å; P200-A204 PolarHBondContact O-N 3.22Å |
| 201 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.7 | -25.6 | 178.4 | -65.2 | 174.2 | 0 | 0 | 0 | 112.7 | T199 I203 A204 F205 L353 T354 F406 P408 W443 F501 F504 | T199-L201 PolarHBondContact O-N 3.5Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.12Å; T199-L201 PolarHBondContact OG1-N 2.86Å; T199-L201 VanDerWaalsContact OG1-N 3.1Å; L201-I203 PolarHBondContact O-N 3.43Å; L201-A204 PolarHBondContact O-N 3.43Å; L201-F205 WeakPolarHBondContact O-CB 3.25Å; L201-F205 PolarHBondContact O-N 3.37Å; L201-L353 HydrophobicContact CD1-CD1 3.38Å; L201-L353 HydrophobicContact CD2-CD1 3.68Å; L201-L353 HydrophobicContact CD2-CD2 4.42Å; L201-L353 HydrophobicContact CG-CD1 3.34Å; L201-T354 HydrophobicContact CD1-CG2 4.01Å; L201-F406 HydrophobicContact CB-CE1 3.97Å; L201-F406 HydrophobicContact CB-CZ 3.53Å; L201-F406 HydrophobicContact CD1-CZ 4.23Å; L201-F406 HydrophobicContact CG-CZ 4.48Å; L201-P408 HydrophobicContact CD1-CB 4.17Å; L201-W443 HydrophobicContact CD1-CB 4.03Å; L201-W443 HydrophobicContact CD1-CG 4.38Å; L201-F501 HydrophobicContact CD2-CD1 4.33Å; L201-F501 HydrophobicContact CD2-CE1 3.95Å; L201-F504 HydrophobicContact CD2-CD2 3.67Å; L201-F504 HydrophobicContact CD2-CE2 3.78Å; L201-F504 HydrophobicContact CD2-CG 4.45Å |
| 202 | S | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 174.8 | 79.7 | 0 | 0 | 0 | 0 | 110.9 | R198 T199 P200 L206 | R198-S202 VanDerWaalsContact CD-OG 3.3Å; R198-S202 WeakPolarHBondContact CD-OG 3.1Å; T199-S202 PolarHBondContact O-N 3.32Å; T199-S202 PolarHBondContact O-OG 2.7Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 3.04Å; S202-L206 WeakPolarHBondContact O-CG 3.35Å; S202-L206 PolarHBondContact O-N 2.83Å |
| 203 | I | 96.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 40.2 Ų | 40.2 | 35% | 0.349 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.5 | -39.9 | 176.9 | -56.4 | -55 | 0 | 0 | 0 | 110.9 | P200 L201 F205 L206 Q207 | P200-I203 PolarHBondContact O-N 3.21Å; L201-I203 PolarHBondContact O-N 3.43Å; I203-F205 PolarHBondContact O-N 2.81Å; I203-L206 PolarHBondContact O-N 3.37Å; I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 WeakPolarHBondContact O-CG 3.14Å; I203-Q207 PolarHBondContact O-N 3.17Å |
| 204 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P200 L201 Q207 A208 A500 F501 F504 | P200-A204 PolarHBondContact O-N 3.22Å; L201-A204 PolarHBondContact O-N 3.43Å; A204-Q207 PolarHBondContact O-N 3.18Å; A204-A208 VanDerWaalsContact O-CB 3.31Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.8Å; A204-A500 HydrophobicContact CB-CB 4.35Å; A204-A500 WeakPolarHBondContact O-CB 3.3Å; A204-F501 HydrophobicContact CB-CE2 4.39Å; A204-F501 HydrophobicContact CB-CZ 4.45Å; A204-F504 HydrophobicContact CB-CE2 3.9Å |
| 205 | F | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.5 | -179.1 | -106.4 | 0 | 0 | 0 | 112.8 | L201 I203 A208 G209 F227 A386 F404 F406 I445 V495 F501 | L201-F205 WeakPolarHBondContact O-CB 3.25Å; L201-F205 PolarHBondContact O-N 3.37Å; I203-F205 PolarHBondContact O-N 2.81Å; F205-A208 PolarHBondContact O-N 3.45Å; F205-G209 PolarHBondContact O-N 3.16Å; F205-F227 AromaticContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD2-CD1 4.27Å; F205-F227 HydrophobicContact CD2-CE1 4.11Å; F205-F227 AromaticContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CE1 4.09Å; F205-F227 HydrophobicContact CE1-CG 4.47Å; F205-F227 AromaticContact CE2-CD1 3.88Å; F205-F227 HydrophobicContact CE2-CD1 3.88Å; F205-F227 AromaticContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CG-CD1 4.31Å; F205-F227 AromaticContact CZ-CD1 3.49Å; F205-F227 HydrophobicContact CZ-CD1 3.49Å; F205-F227 VanDerWaalsContact CZ-CD1 3.49Å; F205-F227 AromaticContact CZ-CE1 3.56Å; F205-F227 HydrophobicContact CZ-CE1 3.56Å; F205-F227 WeakPolarHBondContact O-CD1 3.49Å; F205-A386 HydrophobicContact CE1-CB 4.29Å; F205-A386 HydrophobicContact CZ-CB 3.73Å; F205-F404 HydrophobicContact CZ-CB 4.37Å; F205-F406 HydrophobicContact CB-CD1 4.01Å; F205-F406 HydrophobicContact CB-CD2 4.35Å; F205-F406 HydrophobicContact CB-CE1 4.31Å; F205-F406 HydrophobicContact CB-CG 4.07Å; F205-F406 HydrophobicContact CD1-CB 4.05Å; F205-F406 HydrophobicContact CD1-CD1 4.46Å; F205-F406 HydrophobicContact CD1-CG 4.26Å; F205-F406 HydrophobicContact CD2-CB 3.67Å; F205-F406 HydrophobicContact CD2-CD1 4.39Å; F205-F406 AromaticContact CD2-CD2 3.69Å; F205-F406 HydrophobicContact CD2-CD2 3.69Å; F205-F406 AromaticContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CE1-CB 3.98Å; F205-F406 HydrophobicContact CE2-CB 3.6Å; F205-F406 HydrophobicContact CE2-CD2 4.25Å; F205-F406 HydrophobicContact CE2-CG 4.08Å; F205-F406 HydrophobicContact CG-CB 3.88Å; F205-F406 HydrophobicContact CG-CD1 4.04Å; F205-F406 HydrophobicContact CG-CD2 4.14Å; F205-F406 AromaticContact CG-CG 3.71Å; F205-F406 HydrophobicContact CG-CG 3.71Å; F205-F406 HydrophobicContact CZ-CB 3.75Å; F205-I445 HydrophobicContact CE2-CD1 4.07Å; F205-I445 HydrophobicContact CE2-CG1 4.42Å; F205-V495 HydrophobicContact CD2-CG1 4.21Å; F205-F501 HydrophobicContact CB-CE2 4.35Å; F205-F501 HydrophobicContact CB-CZ 4.28Å |
| 206 | L | 98.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.2 | -56.9 | -177.9 | 0 | 0 | 0 | 112.1 | S202 I203 A208 G209 I210 F227 M228 L229 | S202-L206 WeakPolarHBondContact O-CG 3.35Å; S202-L206 PolarHBondContact O-N 2.83Å; I203-L206 PolarHBondContact O-N 3.37Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.32Å; L206-G209 PolarHBondContact O-N 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.44Å; L206-I210 VanDerWaalsContact O-N 3.12Å; L206-F227 HydrophobicContact CD2-CB 4.26Å; L206-M228 VanDerWaalsContact CD2-C 3.43Å; L206-L229 HydrophobicContact CD1-CD1 4.07Å; L206-L229 HydrophobicContact CD1-CD2 3.94Å; L206-L229 HydrophobicContact CD1-CG 3.65Å; L206-L229 HydrophobicContact CD2-CD2 4.39Å; L206-L229 HydrophobicContact CD2-CG 4.29Å; L206-L229 HydrophobicContact CG-CD2 4.21Å; L206-L229 HydrophobicContact CG-CG 4.29Å |
| 207 | Q | 98.5 | Very high | 97 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 178.7 | -73 | 178.8 | -22.6 | 0 | 0 | 111.4 | I203 A204 G209 I210 E211 A500 | I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 WeakPolarHBondContact O-CG 3.14Å; I203-Q207 PolarHBondContact O-N 3.17Å; A204-Q207 PolarHBondContact O-N 3.18Å; Q207-G209 VanDerWaalsContact C-N 3.31Å; Q207-G209 PolarHBondContact O-N 2.86Å; Q207-I210 WeakPolarHBondContact O-CB 3.49Å; Q207-I210 PolarHBondContact O-N 3.24Å; Q207-I210 VanDerWaalsContact O-N 3.13Å; Q207-E211 WeakPolarHBondContact O-CG 3.36Å; Q207-E211 PolarHBondContact O-N 3.12Å; Q207-A500 HydrophobicContact CB-CB 3.64Å |
| 208 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A204 F205 L206 I210 E211 M212 V495 T498 A500 F501 | A204-A208 VanDerWaalsContact O-CB 3.31Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.8Å; F205-A208 PolarHBondContact O-N 3.45Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.32Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.22Å; A208-E211 PolarHBondContact O-N 2.89Å; A208-M212 WeakPolarHBondContact O-CB 3.49Å; A208-M212 VanDerWaalsContact O-CG 3.23Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.92Å; A208-V495 HydrophobicContact CB-CG1 3.87Å; A208-T498 HydrophobicContact CB-CG2 3.82Å; A208-T498 WeakPolarHBondContact CB-OG1 3.46Å; A208-A500 HydrophobicContact CB-CB 4.33Å; A208-F501 HydrophobicContact CB-CD2 3.9Å; A208-F501 HydrophobicContact CB-CE2 3.99Å |
| 209 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F205 L206 Q207 M212 G213 Y214 F227 | F205-G209 PolarHBondContact O-N 3.16Å; L206-G209 PolarHBondContact O-N 3.3Å; Q207-G209 VanDerWaalsContact C-N 3.31Å; Q207-G209 PolarHBondContact O-N 2.86Å; G209-M212 CarbonylContact O-C 3.56Å; G209-M212 PolarHBondContact O-N 3.42Å; G209-G213 PolarHBondContact O-N 3.2Å; G209-Y214 CarbonylContact C-O 3.54Å; G209-Y214 WeakPolarHBondContact O-CA 3.33Å; G209-Y214 WeakPolarHBondContact O-CB 3.4Å; G209-Y214 PolarHBondContact O-N 3.48Å; G209-F227 VanDerWaalsContact CA-CD2 3.47Å; G209-F227 VanDerWaalsContact CA-CE2 3.44Å |
| 210 | I | 98.5 | Very high | 97.4 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 177.7 | -63.8 | 166.9 | 0 | 0 | 0 | 111.6 | L206 Q207 A208 M212 G213 Y214 N216 | L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.44Å; L206-I210 VanDerWaalsContact O-N 3.12Å; Q207-I210 WeakPolarHBondContact O-CB 3.49Å; Q207-I210 PolarHBondContact O-N 3.24Å; Q207-I210 VanDerWaalsContact O-N 3.13Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.22Å; I210-M212 PolarHBondContact O-N 2.86Å; I210-G213 PolarHBondContact O-N 3.36Å; I210-Y214 VanDerWaalsContact CA-O 3.28Å; I210-Y214 WeakPolarHBondContact CA-O 3.44Å; I210-N216 HydrophobicContact CD1-CB 4.47Å |
| 211 | E | 98.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 41% | 0.407 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -31.6 | 175.5 | -72.5 | -178.7 | -136.2 | 0 | 0 | 112.5 | Q207 A208 G213 T498 Q499 A500 | Q207-E211 WeakPolarHBondContact O-CG 3.36Å; Q207-E211 PolarHBondContact O-N 3.12Å; A208-E211 PolarHBondContact O-N 2.89Å; E211-G213 VanDerWaalsContact C-N 3.26Å; E211-G213 PolarHBondContact O-N 2.82Å; E211-T498 HydrophobicContact CB-CG2 4.2Å; E211-T498 WeakPolarHBondContact OE2-CB 3.43Å; E211-Q499 WeakPolarHBondContact OE2-CB 3.29Å; E211-Q499 PolarHBondContact OE2-N 3.12Å; E211-A500 WeakPolarHBondContact OE1-CB 3.36Å; E211-A500 PolarHBondContact OE1-N 2.93Å |
| 212 | M | 97.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.2 | 175.8 | -68.9 | 172.6 | 62 | 0 | 0 | 113.5 | A208 G209 I210 Y214 L491 N494 V495 T498 | A208-M212 WeakPolarHBondContact O-CB 3.49Å; A208-M212 VanDerWaalsContact O-CG 3.23Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.92Å; G209-M212 CarbonylContact O-C 3.56Å; G209-M212 PolarHBondContact O-N 3.42Å; I210-M212 PolarHBondContact O-N 2.86Å; M212-Y214 HydrophobicContact CB-CD2 3.85Å; M212-Y214 HydrophobicContact CB-CE2 4.13Å; M212-Y214 HydrophobicContact CE-CE2 4.29Å; M212-L491 HydrophobicContact CE-CD2 4.28Å; M212-N494 HydrophobicContact CE-CB 4.01Å; M212-N494 HydrophobicContact SD-CB 4.39Å; M212-V495 HydrophobicContact CE-CG2 4.17Å; M212-V495 HydrophobicContact SD-CB 4.3Å; M212-V495 HydrophobicContact SD-CG2 3.55Å; M212-V495 VanDerWaalsContact SD-CG2 3.55Å; M212-T498 HydrophobicContact CG-CG2 3.87Å; M212-T498 HydrophobicContact SD-CG2 4.13Å |
| 213 | G | 97.1 | Very high | 97.2 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 72% | 0.722 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 10.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G209 I210 E211 | G209-G213 PolarHBondContact O-N 3.2Å; I210-G213 PolarHBondContact O-N 3.36Å; E211-G213 VanDerWaalsContact C-N 3.26Å; E211-G213 PolarHBondContact O-N 2.82Å |
| 214 | Y | 97.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | trans | -93.9 | 153.7 | 173.8 | -63.4 | -87.2 | 0 | 0 | 0 | 111.4 | G209 I210 M212 T225 F227 L388 | G209-Y214 CarbonylContact C-O 3.54Å; G209-Y214 WeakPolarHBondContact O-CA 3.33Å; G209-Y214 WeakPolarHBondContact O-CB 3.4Å; G209-Y214 PolarHBondContact O-N 3.48Å; I210-Y214 VanDerWaalsContact CA-O 3.28Å; I210-Y214 WeakPolarHBondContact CA-O 3.44Å; M212-Y214 HydrophobicContact CB-CD2 3.85Å; M212-Y214 HydrophobicContact CB-CE2 4.13Å; M212-Y214 HydrophobicContact CE-CE2 4.29Å; Y214-T225 HydrophobicContact CD1-CG2 4.11Å; Y214-T225 HydrophobicContact CE1-CG2 4.01Å; Y214-F227 HydrophobicContact CD2-CD2 4.41Å; Y214-F227 AromaticContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CE2-CE2 4.43Å; Y214-F227 HydrophobicContact CG-CD2 4.1Å; Y214-F227 AromaticContact CG-CE2 3.83Å; Y214-F227 HydrophobicContact CG-CE2 3.83Å; Y214-L388 HydrophobicContact CD1-CD2 3.79Å; Y214-L388 HydrophobicContact CD2-CD2 4.11Å; Y214-L388 HydrophobicContact CE1-CD2 3.5Å; Y214-L388 HydrophobicContact CE2-CD2 3.83Å; Y214-L388 HydrophobicContact CG-CD2 4.08Å | ||
| 215 | E | 96.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 43.7 Ų | 43.7 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | trans | -87.7 | 149.2 | 174.6 | -69.8 | 178.9 | -158.7 | 0 | 0 | 112.3 | R217 G226 F227 | E215-R217 IonicContact OE1-NH2 3.36Å; E215-R217 PolarHBondContact OE1-NH2 3.38Å; E215-R217 IonicContact OE2-CZ 2.93Å; E215-R217 IonicContact OE2-NE 2.68Å; E215-R217 PolarHBondContact OE2-NE 2.87Å; E215-R217 IonicContact OE2-NH2 2.74Å; E215-R217 PolarHBondContact OE2-NH2 3.31Å; E215-G226 WeakPolarHBondContact O-CA 3.49Å; E215-F227 PolarHBondContact O-N 2.81Å | ||
| 216 | N | 96.9 | Very high | 97.1 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -80.4 | 110.6 | 159.7 | 176.4 | 25.7 | 0 | 0 | 0 | 108.8 | I210 F227 | I210-N216 HydrophobicContact CD1-CB 4.47Å; N216-F227 VanDerWaalsContact CA-O 3.26Å; N216-F227 WeakPolarHBondContact CA-O 3.25Å; N216-F227 PolarHBondContact OD1-O 3.41Å |
| 217 | R | 95.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 43 Ų | 43 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | trans | -145.6 | 165.3 | -172.3 | 65 | 174.4 | 63.7 | 168.9 | -15.1 | 113.1 | E215 I219 Q223 T225 F227 M228 | E215-R217 IonicContact OE1-NH2 3.36Å; E215-R217 PolarHBondContact OE1-NH2 3.38Å; E215-R217 IonicContact OE2-CZ 2.93Å; E215-R217 IonicContact OE2-NE 2.68Å; E215-R217 PolarHBondContact OE2-NE 2.87Å; E215-R217 IonicContact OE2-NH2 2.74Å; E215-R217 PolarHBondContact OE2-NH2 3.31Å; R217-I219 PolarHBondContact O-N 2.79Å; R217-Q223 VanDerWaalsContact NH2-OE1 3.16Å; R217-T225 WeakPolarHBondContact CD-O 3.18Å; R217-T225 VanDerWaalsContact CZ-O 3.23Å; R217-T225 PolarHBondContact NE-O 2.54Å; R217-T225 PolarHBondContact NH1-O 3.13Å; R217-F227 PolarHBondContact N-O 3.13Å; R217-M228 WeakPolarHBondContact O-CB 3.38Å | ||
| 218 | D | 96.4 | Very high | 97 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | trans | -77.3 | 104.7 | 170.6 | 171.9 | 36.7 | 0 | 0 | 0 | 110.9 | L178 H184 N220 G221 Q231 | L178-D218 HydrophobicContact CD2-CB 3.97Å; H184-D218 IonicContact CD2-OD2 2.75Å; H184-D218 IonicContact CE1-OD2 3.01Å; H184-D218 IonicContact NE2-OD1 3.57Å; H184-D218 IonicContact NE2-OD2 3.58Å; H184-D218 PolarHBondContact NE2-OD2 3.2Å; D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 PolarHBondContact OD1-N 3.24Å; D218-N220 VanDerWaalsContact OD1-N 3.15Å; D218-G221 PolarHBondContact O-N 2.87Å; D218-G221 VanDerWaalsContact OD2-CA 3.28Å; D218-G221 WeakPolarHBondContact OD2-CA 3.33Å; D218-G221 PolarHBondContact OD2-N 2.75Å; D218-G221 VanDerWaalsContact OD2-N 3.09Å; D218-Q231 PolarHBondContact OD1-NE2 3.4Å | ||
| 219 | I | 96.6 | Very high | 97 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.2 | -179.8 | 71.2 | 94.2 | 0 | 0 | 0 | 112.6 | V140 R217 G221 Q224 M228 F387 | V140-I219 HydrophobicContact CB-CD1 4.06Å; V140-I219 HydrophobicContact CG1-CD1 3.62Å; V140-I219 HydrophobicContact CG2-CD1 3.77Å; R217-I219 PolarHBondContact O-N 2.79Å; I219-G221 VanDerWaalsContact C-N 3.29Å; I219-Q224 HydrophobicContact CB-CG 4.33Å; I219-Q224 WeakPolarHBondContact CG2-O 3.46Å; I219-M228 HydrophobicContact CB-SD 3.69Å; I219-M228 HydrophobicContact CD1-SD 4.38Å; I219-M228 HydrophobicContact CG1-CG 4.23Å; I219-M228 HydrophobicContact CG1-SD 3.07Å; I219-M228 WeakPolarHBondContact CG1-SD 3.39Å; I219-M228 HydrophobicContact CG2-CB 4.32Å; I219-M228 HydrophobicContact CG2-CG 3.83Å; I219-M228 HydrophobicContact CG2-SD 3.49Å; I219-M228 WeakPolarHBondContact CG2-SD 3.22Å; I219-M228 PolarHBondContact N-SD 2.78Å; I219-F387 HydrophobicContact CB-CD2 4.14Å; I219-F387 HydrophobicContact CB-CE2 4.24Å; I219-F387 HydrophobicContact CD1-CE2 3.8Å; I219-F387 HydrophobicContact CD1-CZ 4.27Å; I219-F387 HydrophobicContact CG1-CD2 4.43Å; I219-F387 HydrophobicContact CG1-CE2 4.03Å; I219-F387 HydrophobicContact CG2-CD2 3.9Å; I219-F387 HydrophobicContact CG2-CE2 4.33Å |
| 220 | N | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 2.6 | 176.2 | -71.1 | -46.9 | 0 | 0 | 0 | 112.4 | Y139 V140 R141 D218 Q231 | Y139-N220 PolarHBondContact O-ND2 2.98Å; V140-N220 WeakPolarHBondContact CA-OD1 3.32Å; R141-N220 HydrophobicContact CG-CB 4.4Å; R141-N220 PolarHBondContact N-OD1 3.34Å; R141-N220 PolarHBondContact NH1-O 3.44Å; D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 PolarHBondContact OD1-N 3.24Å; D218-N220 VanDerWaalsContact OD1-N 3.15Å; N220-Q231 PolarHBondContact ND2-OE1 2.88Å |
| 221 | G | 95.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -138.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D218 I219 | D218-G221 PolarHBondContact O-N 2.87Å; D218-G221 VanDerWaalsContact OD2-CA 3.28Å; D218-G221 WeakPolarHBondContact OD2-CA 3.33Å; D218-G221 PolarHBondContact OD2-N 2.75Å; D218-G221 VanDerWaalsContact OD2-N 3.09Å; I219-G221 VanDerWaalsContact C-N 3.29Å |
| 222 | A | 94.3 | Very high | 96.8 | Very high | 48 Ų | 48 | 32 Ų | 32 | 40% | 0.397 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -33.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y183 | Y183-A222 HydrophobicContact CE1-CB 4.41Å; Y183-A222 HydrophobicContact CE2-CB 3.69Å; Y183-A222 WeakPolarHBondContact OH-CB 3.38Å |
| 223 | Q | 95.2 | Very high | 96.8 | Very high | 101 Ų | 101 | 29.7 Ų | 29.7 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | trans | -134.6 | 140.5 | -175.7 | -65 | -176.9 | -1 | 0 | 0 | 110.3 | R217 D398 | R217-Q223 VanDerWaalsContact NH2-OE1 3.16Å; Q223-D398 WeakPolarHBondContact CA-OD2 3.2Å | ||
| 224 | Q | 96.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | trans | -96.6 | -39.2 | -174.8 | -168.1 | 177.2 | 41.3 | 0 | 0 | 113.3 | S143 I219 G226 F387 D398 P400 N582 | S143-Q224 VanDerWaalsContact CB-OE1 3.31Å; I219-Q224 HydrophobicContact CB-CG 4.33Å; I219-Q224 WeakPolarHBondContact CG2-O 3.46Å; Q224-G226 PolarHBondContact O-N 2.87Å; Q224-F387 HydrophobicContact CG-CB 4.09Å; Q224-F387 HydrophobicContact CG-CD1 3.93Å; Q224-F387 HydrophobicContact CG-CD2 4.2Å; Q224-F387 HydrophobicContact CG-CE1 4.45Å; Q224-F387 HydrophobicContact CG-CG 3.81Å; Q224-D398 PolarHBondContact N-OD1 3.3Å; Q224-D398 PolarHBondContact N-OD2 3.05Å; Q224-P400 HydrophobicContact CB-CG 4.29Å; Q224-P400 HydrophobicContact CG-CG 4.12Å; Q224-N582 PolarHBondContact NE2-O 3.13Å | ||
| 225 | T | 97.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 26 Ų | 26 | 10% | 0.104 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -62.2 | 122.2 | -175.6 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | Y214 R217 F387 D398 | Y214-T225 HydrophobicContact CD1-CG2 4.11Å; Y214-T225 HydrophobicContact CE1-CG2 4.01Å; R217-T225 WeakPolarHBondContact CD-O 3.18Å; R217-T225 VanDerWaalsContact CZ-O 3.23Å; R217-T225 PolarHBondContact NE-O 2.54Å; R217-T225 PolarHBondContact NH1-O 3.13Å; T225-F387 CarbonylContact C-O 3.56Å; T225-F387 WeakPolarHBondContact CA-O 3.33Å; T225-F387 WeakPolarHBondContact CG2-O 3.49Å; T225-D398 WeakPolarHBondContact CB-OD1 3.47Å; T225-D398 PolarHBondContact N-OD1 2.94Å; T225-D398 PolarHBondContact OG1-OD1 2.79Å |
| 226 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151 | -174.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | E215 Q224 A386 F387 | E215-G226 WeakPolarHBondContact O-CA 3.49Å; Q224-G226 PolarHBondContact O-N 2.87Å; G226-A386 CarbonylContact O-C 3.59Å; G226-A386 WeakPolarHBondContact O-CA 3.22Å; G226-F387 PolarHBondContact N-O 3.32Å; G226-F387 PolarHBondContact O-N 2.56Å |
| 227 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.3 | 177.6 | -75.8 | -116.6 | 0 | 0 | 0 | 109.5 | F205 L206 G209 Y214 E215 N216 R217 A386 L388 V495 | F205-F227 AromaticContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD2-CD1 4.27Å; F205-F227 HydrophobicContact CD2-CE1 4.11Å; F205-F227 AromaticContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CE1 4.09Å; F205-F227 HydrophobicContact CE1-CG 4.47Å; F205-F227 AromaticContact CE2-CD1 3.88Å; F205-F227 HydrophobicContact CE2-CD1 3.88Å; F205-F227 AromaticContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CG-CD1 4.31Å; F205-F227 AromaticContact CZ-CD1 3.49Å; F205-F227 HydrophobicContact CZ-CD1 3.49Å; F205-F227 VanDerWaalsContact CZ-CD1 3.49Å; F205-F227 AromaticContact CZ-CE1 3.56Å; F205-F227 HydrophobicContact CZ-CE1 3.56Å; F205-F227 WeakPolarHBondContact O-CD1 3.49Å; L206-F227 HydrophobicContact CD2-CB 4.26Å; G209-F227 VanDerWaalsContact CA-CD2 3.47Å; G209-F227 VanDerWaalsContact CA-CE2 3.44Å; Y214-F227 HydrophobicContact CD2-CD2 4.41Å; Y214-F227 AromaticContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CE2-CE2 4.43Å; Y214-F227 HydrophobicContact CG-CD2 4.1Å; Y214-F227 AromaticContact CG-CE2 3.83Å; Y214-F227 HydrophobicContact CG-CE2 3.83Å; E215-F227 PolarHBondContact O-N 2.81Å; N216-F227 VanDerWaalsContact CA-O 3.26Å; N216-F227 WeakPolarHBondContact CA-O 3.25Å; N216-F227 PolarHBondContact OD1-O 3.41Å; R217-F227 PolarHBondContact N-O 3.13Å; F227-A386 HydrophobicContact CB-CB 4.49Å; F227-A386 HydrophobicContact CD1-CB 3.65Å; F227-A386 HydrophobicContact CD2-CB 3.87Å; F227-A386 HydrophobicContact CE1-CB 3.69Å; F227-A386 HydrophobicContact CE2-CB 3.92Å; F227-A386 HydrophobicContact CG-CB 3.73Å; F227-A386 HydrophobicContact CZ-CB 3.82Å; F227-L388 HydrophobicContact CD2-CD2 4.22Å; F227-L388 HydrophobicContact CE2-CD2 3.47Å; F227-L388 VanDerWaalsContact CE2-CD2 3.47Å; F227-L388 HydrophobicContact CZ-CD1 4.45Å; F227-L388 HydrophobicContact CZ-CD2 4.08Å; F227-V495 HydrophobicContact CE1-CG2 4.23Å; F227-V495 HydrophobicContact CZ-CG2 4.13Å |
| 228 | M | 97.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.039 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 164.1 | 170.6 | 76.8 | 175.1 | -71.6 | 0 | 0 | 112.8 | L206 R217 I219 Q231 G384 V385 | L206-M228 VanDerWaalsContact CD2-C 3.43Å; R217-M228 WeakPolarHBondContact O-CB 3.38Å; I219-M228 HydrophobicContact CB-SD 3.69Å; I219-M228 HydrophobicContact CD1-SD 4.38Å; I219-M228 HydrophobicContact CG1-CG 4.23Å; I219-M228 HydrophobicContact CG1-SD 3.07Å; I219-M228 WeakPolarHBondContact CG1-SD 3.39Å; I219-M228 HydrophobicContact CG2-CB 4.32Å; I219-M228 HydrophobicContact CG2-CG 3.83Å; I219-M228 HydrophobicContact CG2-SD 3.49Å; I219-M228 WeakPolarHBondContact CG2-SD 3.22Å; I219-M228 PolarHBondContact N-SD 2.78Å; M228-Q231 HydrophobicContact CE-CB 4.43Å; M228-Q231 HydrophobicContact CE-CG 3.7Å; M228-G384 VanDerWaalsContact O-CA 3.3Å; M228-G384 WeakPolarHBondContact O-CA 3.43Å; M228-V385 HydrophobicContact CG-CG2 3.52Å; M228-V385 PolarHBondContact N-O 3.38Å; M228-V385 PolarHBondContact O-N 3.34Å; M228-V385 HydrophobicContact SD-CG2 4.24Å |
| 229 | L | 96.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 19 Ų | 19 | 7% | 0.073 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 143.5 | 164.8 | -63.1 | 171 | 0 | 0 | 0 | 109.7 | E194 L206 Q231 | E194-L229 HydrophobicContact CG-CB 4.47Å; L206-L229 HydrophobicContact CD1-CD1 4.07Å; L206-L229 HydrophobicContact CD1-CD2 3.94Å; L206-L229 HydrophobicContact CD1-CG 3.65Å; L206-L229 HydrophobicContact CD2-CD2 4.39Å; L206-L229 HydrophobicContact CD2-CG 4.29Å; L206-L229 HydrophobicContact CG-CD2 4.21Å; L206-L229 HydrophobicContact CG-CG 4.29Å; L229-Q231 PolarHBondContact O-N 3.4Å; L229-Q231 VanDerWaalsContact O-N 3.14Å |
| 230 | T | 96.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | trans | -67.9 | 115.6 | -173.8 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | V138 V382 E383 G384 | V138-T230 HydrophobicContact CB-CG2 4.25Å; V138-T230 HydrophobicContact CG1-CG2 4.16Å; V138-T230 HydrophobicContact CG2-CG2 3.93Å; T230-V382 WeakPolarHBondContact CB-O 3.33Å; T230-V382 PolarHBondContact OG1-O 2.92Å; T230-V382 VanDerWaalsContact OG1-O 3.12Å; T230-E383 PolarHBondContact N-O 2.72Å; T230-E383 VanDerWaalsContact OG1-C 3.28Å; T230-E383 PolarHBondContact OG1-O 3.41Å; T230-G384 PolarHBondContact OG1-N 2.93Å | ||
| 231 | Q | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131 | 158.5 | -75.7 | 171 | 12.5 | 0 | 0 | 108.8 | Y139 L178 V192 D218 N220 M228 L229 | Y139-Q231 WeakPolarHBondContact CB-O 3.45Å; Y139-Q231 HydrophobicContact CD1-CB 4.47Å; Y139-Q231 PolarHBondContact N-O 2.69Å; L178-Q231 HydrophobicContact CD1-CG 4.47Å; V192-Q231 HydrophobicContact CG1-CB 4.04Å; D218-Q231 PolarHBondContact OD1-NE2 3.4Å; N220-Q231 PolarHBondContact ND2-OE1 2.88Å; M228-Q231 HydrophobicContact CE-CB 4.43Å; M228-Q231 HydrophobicContact CE-CG 3.7Å; L229-Q231 PolarHBondContact O-N 3.4Å; L229-Q231 VanDerWaalsContact O-N 3.14Å |
| 232 | S | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.3 | -172.6 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | M137 V192 Q193 I234 | M137-S232 CarbonylContact O-C 3.01Å; M137-S232 VanDerWaalsContact O-CA 3.29Å; M137-S232 WeakPolarHBondContact O-CA 3.28Å; V192-S232 WeakPolarHBondContact CA-O 3.44Å; Q193-S232 PolarHBondContact N-O 2.95Å; Q193-S232 WeakPolarHBondContact O-CA 3.33Å; Q193-S232 WeakPolarHBondContact O-CB 3.5Å; Q193-S232 PolarHBondContact O-N 2.85Å; Q193-S232 VanDerWaalsContact O-O 3.06Å; S232-I234 PolarHBondContact O-N 3.14Å |
| 233 | T | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | trans | -77 | 74.4 | 171.4 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | M137 Y139 L190 T191 C240 | M137-T233 WeakPolarHBondContact CA-OG1 3.45Å; M137-T233 PolarHBondContact O-N 2.58Å; M137-T233 PolarHBondContact O-OG1 3.44Å; Y139-T233 HydrophobicContact CD2-CG2 3.95Å; L190-T233 HydrophobicContact CD1-CG2 3.88Å; L190-T233 HydrophobicContact CD2-CG2 3.83Å; L190-T233 HydrophobicContact CG-CG2 3.97Å; T191-T233 WeakPolarHBondContact O-CA 3.26Å; T233-C240 PolarHBondContact O-N 3.43Å | ||
| 234 | I | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.4 | -175 | -69.8 | 175.2 | 0 | 0 | 0 | 109.1 | P86 M137 T191 Q193 A195 S232 A238 | P86-I234 HydrophobicContact CG-CD1 4.36Å; M137-I234 HydrophobicContact SD-CD1 4.37Å; M137-I234 HydrophobicContact SD-CG1 3.96Å; T191-I234 WeakPolarHBondContact CB-O 3.09Å; T191-I234 WeakPolarHBondContact CG2-O 3.48Å; T191-I234 PolarHBondContact O-N 3.35Å; Q193-I234 HydrophobicContact CG-CB 4.19Å; Q193-I234 HydrophobicContact CG-CG2 4.42Å; Q193-I234 WeakPolarHBondContact CG-O 3.31Å; A195-I234 HydrophobicContact CB-CD1 4.43Å; S232-I234 PolarHBondContact O-N 3.14Å; I234-A238 CarbonylContact C-O 3.59Å; I234-A238 VanDerWaalsContact CA-O 3.27Å; I234-A238 WeakPolarHBondContact CA-O 3.46Å; I234-A238 WeakPolarHBondContact CG2-O 3.15Å |
| 235 | R | 93.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 12 Ų | 12 | 16% | 0.158 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.3 | 172.3 | -178.2 | -176.5 | -63.3 | 168.9 | 1.9 | 107.9 | E31 Y189 T191 G237 A238 C240 | E31-R235 IonicContact OE1-NH1 3.92Å; E31-R235 PolarHBondContact OE1-NH1 3.46Å; Y189-R235 PolarHBondContact O-NH2 2.99Å; T191-R235 HydrophobicContact CG2-CB 4.19Å; T191-R235 HydrophobicContact CG2-CG 4.43Å; T191-R235 PolarHBondContact OG1-NE 2.79Å; T191-R235 PolarHBondContact OG1-NH2 3.35Å; R235-G237 PolarHBondContact O-N 3.31Å; R235-A238 PolarHBondContact N-O 2.87Å; R235-A238 PolarHBondContact O-N 3.19Å; R235-A238 VanDerWaalsContact O-N 3.14Å; R235-C240 HydrophobicContact CB-CB 4Å |
| 236 | R | 90.2 | Very high | 96.3 | Very high | 118 Ų | 118 | 11.1 Ų | 11.1 | 45% | 0.445 | 5% | 0.049 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 56.1 | 179.8 | -55.1 | -178.8 | -56.6 | -92 | -8.7 | 112 | E31 A238 E373 | E31-R236 VanDerWaalsContact CD-NH2 3.27Å; E31-R236 IonicContact OE1-CZ 3Å; E31-R236 IonicContact OE1-NH1 3.25Å; E31-R236 PolarHBondContact OE1-NH1 3.47Å; E31-R236 IonicContact OE1-NH2 3.65Å; E31-R236 PolarHBondContact OE1-NH2 3Å; E31-R236 IonicContact OE2-CZ 3.66Å; E31-R236 IonicContact OE2-NH1 3.89Å; E31-R236 IonicContact OE2-NH2 2.92Å; E31-R236 PolarHBondContact OE2-NH2 3.26Å; R236-A238 PolarHBondContact O-N 2.88Å; R236-E373 WeakPolarHBondContact CB-OE2 3.42Å; R236-E373 VanDerWaalsContact O-CB 3.31Å; R236-E373 WeakPolarHBondContact O-CB 3.29Å |
| 237 | G | 91.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -12.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | P86 R235 | P86-G237 WeakPolarHBondContact CD-O 3.31Å; P86-G237 WeakPolarHBondContact CG-O 3.39Å; R235-G237 PolarHBondContact O-N 3.31Å |
| 238 | A | 93.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 12.2 Ų | 12.2 | 13% | 0.132 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 156.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D84 I234 R235 R236 C240 | D84-A238 WeakPolarHBondContact O-CA 3.26Å; I234-A238 CarbonylContact C-O 3.59Å; I234-A238 VanDerWaalsContact CA-O 3.27Å; I234-A238 WeakPolarHBondContact CA-O 3.46Å; I234-A238 WeakPolarHBondContact CG2-O 3.15Å; R235-A238 PolarHBondContact N-O 2.87Å; R235-A238 PolarHBondContact O-N 3.19Å; R235-A238 VanDerWaalsContact O-N 3.14Å; R236-A238 PolarHBondContact O-N 2.88Å; A238-C240 PolarHBondContact O-N 2.95Å |
| 239 | R | 95.4 | Very high | 96 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 131.8 | 173 | 176.8 | -175.3 | -62.8 | -83.1 | -5.4 | 111.5 | S83 D84 S132 V133 N135 M137 K244 | S83-R239 WeakPolarHBondContact O-CD 3.25Å; S83-R239 PolarHBondContact O-NE 3.38Å; S83-R239 VanDerWaalsContact O-NE 3.08Å; D84-R239 PolarHBondContact O-N 3.03Å; S132-R239 PolarHBondContact O-NH1 3.4Å; V133-R239 WeakPolarHBondContact O-CD 3.49Å; V133-R239 PolarHBondContact O-NE 2.87Å; V133-R239 VanDerWaalsContact O-NE 3.09Å; V133-R239 PolarHBondContact O-NH1 3.1Å; N135-R239 VanDerWaalsContact O-CZ 3.25Å; N135-R239 PolarHBondContact O-NH1 2.6Å; N135-R239 PolarHBondContact O-NH2 3.27Å; N135-R239 PolarHBondContact OD1-NH1 2.87Å; M137-R239 HydrophobicContact CG-CG 4.11Å; M137-R239 HydrophobicContact SD-CB 3.81Å; M137-R239 HydrophobicContact SD-CG 3.99Å; R239-K244 WeakPolarHBondContact O-CD 3.37Å; R239-K244 PolarHBondContact O-NZ 3.41Å |
| 240 | C | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | trans | -104.3 | 84 | 169.1 | -165.9 | 0 | 0 | 0 | 0 | 109.7 | T233 R235 A238 | T233-C240 PolarHBondContact O-N 3.43Å; R235-C240 HydrophobicContact CB-CB 4Å; A238-C240 PolarHBondContact O-N 2.95Å | ||
| 241 | S | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -68.2 | 167.8 | 174.6 | 75.9 | 0 | 0 | 0 | 0 | 111 | E79 G243 K244 A245 | E79-S241 PolarHBondContact OE1-OG 2.74Å; E79-S241 WeakPolarHBondContact OE2-CB 3.35Å; E79-S241 PolarHBondContact OE2-OG 3.29Å; E79-S241 VanDerWaalsContact OE2-OG 3.06Å; S241-G243 VanDerWaalsContact C-N 3.25Å; S241-G243 PolarHBondContact O-N 3.05Å; S241-G243 PolarHBondContact OG-N 3.49Å; S241-K244 PolarHBondContact O-N 3.1Å; S241-K244 PolarHBondContact OG-N 3.44Å; S241-A245 VanDerWaalsContact O-CB 3.28Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.5Å | ||
| 242 | T | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.9 | -23.5 | 169.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | S53 G129 S132 F246 I590 | S53-T242 WeakPolarHBondContact CA-OG1 3.26Å; G129-T242 WeakPolarHBondContact CA-OG1 3.43Å; G129-T242 PolarHBondContact O-OG1 2.88Å; S132-T242 PolarHBondContact OG-N 3.31Å; S132-T242 PolarHBondContact OG-OG1 2.85Å; T242-F246 HydrophobicContact CG2-CD2 4.17Å; T242-F246 HydrophobicContact CG2-CE2 4.28Å; T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.97Å; T242-I590 HydrophobicContact CG2-CD1 3.51Å; T242-I590 HydrophobicContact CG2-CG1 3.78Å |
| 243 | G | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -60.7 | -51 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S241 I247 R248 | S241-G243 VanDerWaalsContact C-N 3.25Å; S241-G243 PolarHBondContact O-N 3.05Å; S241-G243 PolarHBondContact OG-N 3.49Å; G243-I247 WeakPolarHBondContact O-CA 3.41Å; G243-I247 WeakPolarHBondContact O-CB 3.2Å; G243-I247 PolarHBondContact O-N 3.19Å; G243-R248 WeakPolarHBondContact O-CG 3.49Å; G243-R248 PolarHBondContact O-N 3.12Å |
| 244 | K | 96.3 | Very high | 95 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -68.3 | -40.6 | 176.6 | -69.7 | -178.9 | -170.7 | 178.5 | 0 | 114.3 | E79 D84 R239 S241 P249 | E79-K244 WeakPolarHBondContact OE2-CE 3.33Å; D84-K244 VanDerWaalsContact OD1-CE 3.23Å; D84-K244 WeakPolarHBondContact OD1-CE 3.35Å; D84-K244 IonicContact OD1-NZ 3.48Å; D84-K244 PolarHBondContact OD1-NZ 3.5Å; D84-K244 IonicContact OD2-NZ 3.68Å; D84-K244 PolarHBondContact OD2-NZ 3.14Å; R239-K244 WeakPolarHBondContact O-CD 3.37Å; R239-K244 PolarHBondContact O-NZ 3.41Å; S241-K244 PolarHBondContact O-N 3.1Å; S241-K244 PolarHBondContact OG-N 3.44Å; K244-P249 VanDerWaalsContact O-CD 3.28Å; K244-P249 WeakPolarHBondContact O-CD 3.4Å |
| 245 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -71.3 | -49.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y189 L190 S241 P249 | Y189-A245 WeakPolarHBondContact CB-O 3.42Å; Y189-A245 WeakPolarHBondContact CD1-O 3.49Å; Y189-A245 WeakPolarHBondContact O-CA 3.42Å; Y189-A245 WeakPolarHBondContact O-CB 3.23Å; L190-A245 HydrophobicContact CB-CB 4.4Å; L190-A245 HydrophobicContact CD1-CB 4.03Å; S241-A245 VanDerWaalsContact O-CB 3.28Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.5Å; A245-P249 WeakPolarHBondContact O-CG 3.28Å |
| 246 | F | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -109.1 | -26.9 | -167.1 | -64.4 | -88.6 | 0 | 0 | 0 | 114.2 | A56 V57 N60 Y189 L190 T242 V250 I590 | A56-F246 HydrophobicContact CB-CB 4.3Å; V57-F246 HydrophobicContact CB-CD1 4.35Å; V57-F246 HydrophobicContact CB-CE1 4.47Å; V57-F246 HydrophobicContact CG1-CD1 4.41Å; V57-F246 HydrophobicContact CG1-CE1 4.24Å; V57-F246 HydrophobicContact CG2-CD1 3.89Å; V57-F246 HydrophobicContact CG2-CD2 3.87Å; V57-F246 HydrophobicContact CG2-CE1 3.81Å; V57-F246 HydrophobicContact CG2-CE2 3.82Å; V57-F246 HydrophobicContact CG2-CG 3.91Å; V57-F246 HydrophobicContact CG2-CZ 3.78Å; N60-F246 HydrophobicContact CB-CB 4.1Å; N60-F246 HydrophobicContact CB-CD1 4.49Å; N60-F246 WeakPolarHBondContact CB-O 3.27Å; N60-F246 PolarHBondContact ND2-O 3.19Å; Y189-F246 AromaticContact CD2-CD1 3.92Å; Y189-F246 HydrophobicContact CD2-CD1 3.92Å; Y189-F246 AromaticContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CG-CD1 4.03Å; Y189-F246 HydrophobicContact CG-CE1 4.12Å; L190-F246 HydrophobicContact CB-CE2 4.2Å; L190-F246 HydrophobicContact CB-CZ 4.38Å; T242-F246 HydrophobicContact CG2-CD2 4.17Å; T242-F246 HydrophobicContact CG2-CE2 4.28Å; T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.97Å; F246-V250 VanDerWaalsContact O-CG2 3.24Å; F246-V250 WeakPolarHBondContact O-CG2 3.3Å; F246-I590 HydrophobicContact CE2-CG2 4.09Å; F246-I590 HydrophobicContact CZ-CG2 3.89Å |
| 247 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -97.1 | -51.1 | -175.2 | -58.7 | -52.6 | 0 | 0 | 0 | 112.4 | V34 A56 A59 L72 L128 G243 V250 R251 F256 V258 | V34-I247 HydrophobicContact CG1-CG2 3.58Å; A56-I247 HydrophobicContact CB-CD1 4.02Å; A56-I247 HydrophobicContact CB-CG1 3.84Å; A56-I247 WeakPolarHBondContact O-CD1 3.33Å; A59-I247 HydrophobicContact CB-CD1 4.23Å; L72-I247 HydrophobicContact CD2-CD1 4.07Å; L72-I247 HydrophobicContact CD2-CG1 4.39Å; L128-I247 HydrophobicContact CD1-CG1 4.23Å; L128-I247 HydrophobicContact CD1-CG2 4.4Å; L128-I247 HydrophobicContact CD2-CG2 3.99Å; G243-I247 WeakPolarHBondContact O-CA 3.41Å; G243-I247 WeakPolarHBondContact O-CB 3.2Å; G243-I247 PolarHBondContact O-N 3.19Å; I247-V250 WeakPolarHBondContact O-CG2 3.22Å; I247-V250 PolarHBondContact O-N 3.42Å; I247-V250 VanDerWaalsContact O-N 3.09Å; I247-R251 PolarHBondContact O-N 2.96Å; I247-R251 VanDerWaalsContact O-N 3.14Å; I247-F256 HydrophobicContact CD1-CE1 4.22Å; I247-F256 HydrophobicContact CD1-CZ 3.88Å; I247-F256 HydrophobicContact CG2-CE1 4.19Å; I247-F256 HydrophobicContact CG2-CZ 4.39Å; I247-V258 HydrophobicContact CG2-CG2 4.1Å |
| 248 | R | 95.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -56.4 | -44.1 | -176 | -59.5 | -167.6 | -174.4 | 177.2 | 0.6 | 113.4 | P30 E31 E79 G243 V250 R251 | P30-R248 CarbonylContact O-C 3.56Å; P30-R248 WeakPolarHBondContact O-CB 3.35Å; P30-R248 VanDerWaalsContact O-O 3.11Å; E31-R248 WeakPolarHBondContact O-CD 3.5Å; E31-R248 PolarHBondContact O-NH1 3.13Å; E79-R248 IonicContact OE1-NH2 2.7Å; G243-R248 WeakPolarHBondContact O-CG 3.49Å; G243-R248 PolarHBondContact O-N 3.12Å; R248-V250 PolarHBondContact O-N 3.21Å; R248-R251 WeakPolarHBondContact O-CB 3.35Å; R248-R251 WeakPolarHBondContact O-CD 3.36Å; R248-R251 VanDerWaalsContact O-CG 3.27Å; R248-R251 WeakPolarHBondContact O-CG 3.27Å; R248-R251 PolarHBondContact O-N 3.33Å |
| 249 | P | 94.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 25.7 Ų | 25.7 | 36% | 0.357 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -64.6 | -17.1 | -178.9 | -24.9 | 37.3 | 0 | 0 | 0 | 114.3 | Y189 K244 A245 | Y189-P249 HydrophobicContact CD1-CG 4.45Å; Y189-P249 HydrophobicContact CE1-CB 4.26Å; K244-P249 VanDerWaalsContact O-CD 3.28Å; K244-P249 WeakPolarHBondContact O-CD 3.4Å; A245-P249 WeakPolarHBondContact O-CG 3.28Å |
| 250 | V | 94.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -118 | 7.7 | -174.7 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | N60 F246 I247 R248 Q252 R253 F256 | N60-V250 HydrophobicContact CB-CG2 4.47Å; N60-V250 VanDerWaalsContact ND2-CG1 3.33Å; N60-V250 WeakPolarHBondContact ND2-CG1 3.43Å; F246-V250 VanDerWaalsContact O-CG2 3.24Å; F246-V250 WeakPolarHBondContact O-CG2 3.3Å; I247-V250 WeakPolarHBondContact O-CG2 3.22Å; I247-V250 PolarHBondContact O-N 3.42Å; I247-V250 VanDerWaalsContact O-N 3.09Å; R248-V250 PolarHBondContact O-N 3.21Å; V250-Q252 PolarHBondContact O-N 3.25Å; V250-R253 HydrophobicContact CB-CG 4.21Å; V250-R253 VanDerWaalsContact CG1-NH2 3.31Å; V250-R253 WeakPolarHBondContact O-CB 3.39Å; V250-R253 WeakPolarHBondContact O-CG 3.36Å; V250-R253 PolarHBondContact O-N 2.78Å; V250-F256 HydrophobicContact CG2-CD1 4.13Å; V250-F256 HydrophobicContact CG2-CE1 4.02Å |
| 251 | R | 91.5 | Very high | 96.2 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.7 | -176.6 | 74.2 | -171.9 | -177.6 | 86.9 | 1.6 | 115 | Q26 S27 D29 N32 K33 V34 I247 R248 | Q26-R251 PolarHBondContact O-NH2 2.85Å; Q26-R251 VanDerWaalsContact O-NH2 3.07Å; S27-R251 PolarHBondContact O-NH2 3.45Å; D29-R251 PolarHBondContact O-NE 2.75Å; D29-R251 VanDerWaalsContact O-NE 3.1Å; D29-R251 PolarHBondContact O-NH2 2.99Å; N32-R251 WeakPolarHBondContact O-CD 3.44Å; K33-R251 WeakPolarHBondContact O-CD 3.49Å; K33-R251 PolarHBondContact O-NH1 3.29Å; V34-R251 HydrophobicContact CG1-CB 4.28Å; I247-R251 PolarHBondContact O-N 2.96Å; I247-R251 VanDerWaalsContact O-N 3.14Å; R248-R251 WeakPolarHBondContact O-CB 3.35Å; R248-R251 WeakPolarHBondContact O-CD 3.36Å; R248-R251 VanDerWaalsContact O-CG 3.27Å; R248-R251 WeakPolarHBondContact O-CG 3.27Å; R248-R251 PolarHBondContact O-N 3.33Å |
| 252 | Q | 90.4 | Very high | 96.2 | Very high | 105 Ų | 105 | 31.4 Ų | 31.4 | 49% | 0.491 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 1.4 | 179.7 | -64 | -61.3 | -25.1 | 0 | 0 | 113.8 | S27 V250 K254 | S27-Q252 PolarHBondContact O-NE2 2.98Å; S27-Q252 VanDerWaalsContact O-NE2 3.09Å; V250-Q252 PolarHBondContact O-N 3.25Å; Q252-K254 PolarHBondContact O-N 3.29Å |
| 253 | R | 94.7 | Very high | 96.2 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 23% | 0.226 | 15% | 0.152 | C | C | . | . | trans | -67.1 | 118.7 | 177.2 | -73.2 | -176.8 | -176 | 166 | -0.6 | 110.2 | N60 S63 V250 N255 F256 | N60-R253 PolarHBondContact O-NH1 2.86Å; S63-R253 PolarHBondContact OG-NH1 3.33Å; V250-R253 HydrophobicContact CB-CG 4.21Å; V250-R253 VanDerWaalsContact CG1-NH2 3.31Å; V250-R253 WeakPolarHBondContact O-CB 3.39Å; V250-R253 WeakPolarHBondContact O-CG 3.36Å; V250-R253 PolarHBondContact O-N 2.78Å; R253-N255 PolarHBondContact O-N 2.83Å; R253-F256 HydrophobicContact CB-CB 3.96Å; R253-F256 PolarHBondContact O-N 3.08Å | ||
| 254 | K | 94 | Very high | 96.3 | Very high | 191 Ų | 191 | 33.3 Ų | 33.3 | 83% | 0.83 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.1 | -175.7 | -60.9 | -175.7 | 179.1 | -178.2 | 0 | 115.2 | R41 Q252 | R41-K254 PolarHBondContact NH2-O 2.98Å; Q252-K254 PolarHBondContact O-N 3.29Å |
| 255 | N | 96.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.7 | -179.8 | 67.8 | -50.2 | 0 | 0 | 0 | 113 | S63 V65 W68 T69 V70 R253 | S63-N255 PolarHBondContact O-ND2 3.12Å; V65-N255 PolarHBondContact O-ND2 3.42Å; W68-N255 VanDerWaalsContact O-CB 3.27Å; W68-N255 WeakPolarHBondContact O-CB 3.16Å; W68-N255 PolarHBondContact O-ND2 3.09Å; T69-N255 WeakPolarHBondContact CA-O 3.5Å; V70-N255 PolarHBondContact N-O 3.4Å; R253-N255 PolarHBondContact O-N 2.83Å |
| 256 | F | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.1 | -178.5 | 177.5 | -138.5 | 0 | 0 | 0 | 110.8 | A59 V70 L72 I247 V250 R253 V258 | A59-F256 HydrophobicContact CB-CE2 3.76Å; A59-F256 HydrophobicContact CB-CZ 3.94Å; V70-F256 HydrophobicContact CB-CD2 4.2Å; V70-F256 HydrophobicContact CG1-CD2 4.19Å; V70-F256 HydrophobicContact CG1-CE2 4.46Å; V70-F256 WeakPolarHBondContact O-CA 3.49Å; L72-F256 HydrophobicContact CB-CE2 3.85Å; L72-F256 HydrophobicContact CB-CZ 4.27Å; L72-F256 HydrophobicContact CD2-CZ 4.32Å; I247-F256 HydrophobicContact CD1-CE1 4.22Å; I247-F256 HydrophobicContact CD1-CZ 3.88Å; I247-F256 HydrophobicContact CG2-CE1 4.19Å; I247-F256 HydrophobicContact CG2-CZ 4.39Å; V250-F256 HydrophobicContact CG2-CD1 4.13Å; V250-F256 HydrophobicContact CG2-CE1 4.02Å; R253-F256 HydrophobicContact CB-CB 3.96Å; R253-F256 PolarHBondContact O-N 3.08Å; F256-V258 HydrophobicContact CD1-CG2 4.43Å; F256-V258 HydrophobicContact CE1-CG2 3.62Å; F256-V258 HydrophobicContact CE2-CG2 3.83Å; F256-V258 HydrophobicContact CZ-CG2 3.25Å |
| 257 | D | 97.7 | Very high | 96.5 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.8 | 177.1 | -66.2 | -24.6 | 0 | 0 | 0 | 109.8 | P37 R41 Y44 V70 L71 L72 | P37-D257 HydrophobicContact CG-CB 4.08Å; R41-D257 IonicContact CZ-OD2 3.65Å; R41-D257 VanDerWaalsContact NH1-CG 3.34Å; R41-D257 IonicContact NH1-OD1 2.67Å; R41-D257 PolarHBondContact NH1-OD1 2.92Å; R41-D257 IonicContact NH1-OD2 3.11Å; R41-D257 PolarHBondContact NH1-OD2 2.94Å; Y44-D257 HydrophobicContact CE1-CB 4.16Å; Y44-D257 WeakPolarHBondContact CE1-OD2 3.42Å; Y44-D257 PolarHBondContact OH-OD2 2.85Å; V70-D257 PolarHBondContact O-N 3.5Å; L71-D257 WeakPolarHBondContact CA-O 3.5Å; L71-D257 HydrophobicContact CD1-CB 3.84Å; L72-D257 PolarHBondContact N-O 2.84Å |
| 258 | V | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.4 | 172.6 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V34 P37 L72 L128 I247 F256 L260 | V34-V258 HydrophobicContact CB-CB 4.49Å; V34-V258 HydrophobicContact CG1-CG2 4.43Å; V34-V258 HydrophobicContact CG2-CG1 4.16Å; P37-V258 WeakPolarHBondContact CD-O 3.46Å; L72-V258 HydrophobicContact CB-CG2 4.43Å; L72-V258 HydrophobicContact CD2-CG1 4.36Å; L72-V258 HydrophobicContact CD2-CG2 4.41Å; L128-V258 HydrophobicContact CD1-CG1 4.32Å; L128-V258 HydrophobicContact CD2-CG1 4.48Å; I247-V258 HydrophobicContact CG2-CG2 4.1Å; F256-V258 HydrophobicContact CD1-CG2 4.43Å; F256-V258 HydrophobicContact CE1-CG2 3.62Å; F256-V258 HydrophobicContact CE2-CG2 3.83Å; F256-V258 HydrophobicContact CZ-CG2 3.25Å; V258-L260 HydrophobicContact CG1-CD2 4.03Å |
| 259 | L | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.1 | 177.8 | -159.9 | 63.2 | 0 | 0 | 0 | 109.9 | I40 L71 L72 L73 E74 A262 Y280 R282 | I40-L259 HydrophobicContact CD1-CD1 3.94Å; I40-L259 HydrophobicContact CD1-CD2 4.25Å; I40-L259 HydrophobicContact CD1-CG 4.5Å; I40-L259 HydrophobicContact CG1-CD1 4.22Å; I40-L259 HydrophobicContact CG1-CD2 4.42Å; L71-L259 HydrophobicContact CD1-CB 4.19Å; L72-L259 PolarHBondContact O-N 3.42Å; L73-L259 HydrophobicContact CD2-CB 3.97Å; L73-L259 HydrophobicContact CD2-CD2 3.92Å; E74-L259 PolarHBondContact N-O 2.81Å; L259-A262 HydrophobicContact CB-CB 4.18Å; L259-A262 HydrophobicContact CD2-CB 3.87Å; L259-A262 HydrophobicContact CG-CB 3.87Å; L259-Y280 HydrophobicContact CD2-CE2 3.71Å; L259-R282 VanDerWaalsContact CD1-NH1 3.32Å |
| 260 | L | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -90.6 | 162.1 | 178.6 | -57.1 | -179.9 | 0 | 0 | 0 | 110.3 | V34 E36 E74 D78 L128 V258 A262 R282 | V34-L260 HydrophobicContact CG2-CD1 3.94Å; V34-L260 HydrophobicContact CG2-CD2 4.45Å; V34-L260 HydrophobicContact CG2-CG 4.35Å; E36-L260 HydrophobicContact CG-CG 4.37Å; E36-L260 PolarHBondContact OE1-N 3.49Å; E74-L260 HydrophobicContact CB-CD2 4.06Å; E74-L260 HydrophobicContact CG-CD2 4.24Å; E74-L260 CarbonylContact O-C 3.54Å; D78-L260 HydrophobicContact CB-CD1 4.04Å; L128-L260 HydrophobicContact CB-CD2 4.2Å; L128-L260 HydrophobicContact CD2-CD2 4.47Å; V258-L260 HydrophobicContact CG1-CD2 4.03Å; L260-A262 PolarHBondContact O-N 3.06Å; L260-A262 VanDerWaalsContact O-N 3.13Å; L260-R282 PolarHBondContact O-NE 2.82Å; L260-R282 VanDerWaalsContact O-NE 3.14Å |
| 261 | H | 97.3 | Very high | 97 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 52.3 | 32.7 | -176.5 | -54.5 | -70.2 | 0 | 0 | 0 | 113 | E74 G76 G77 R282 | E74-H261 PolarHBondContact O-N 2.9Å; G76-H261 PolarHBondContact O-N 2.77Å; G77-H261 VanDerWaalsContact CA-CE1 3.44Å; G77-H261 WeakPolarHBondContact CA-CE1 3.47Å; G77-H261 PolarHBondContact N-CE1 3.47Å; H261-R282 WeakPolarHBondContact O-CA 3.37Å; H261-R282 WeakPolarHBondContact O-CG 3.44Å |
| 262 | A | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | -117.1 | 87.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L73 E74 L259 L260 A264 Y280 M281 | L73-A262 HydrophobicContact CD2-CB 4.01Å; E74-A262 CarbonylContact C-O 3Å; E74-A262 PolarHBondContact O-N 2.92Å; L259-A262 HydrophobicContact CB-CB 4.18Å; L259-A262 HydrophobicContact CD2-CB 3.87Å; L259-A262 HydrophobicContact CG-CB 3.87Å; L260-A262 PolarHBondContact O-N 3.06Å; L260-A262 VanDerWaalsContact O-N 3.13Å; A262-A264 PolarHBondContact O-N 3.39Å; A262-Y280 HydrophobicContact CB-CD2 3.86Å; A262-Y280 HydrophobicContact CB-CE2 4.27Å; A262-M281 WeakPolarHBondContact CA-O 3.48Å | ||
| 263 | E | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 114 | -179.4 | -175.1 | -178.6 | 171 | 0 | 0 | 110.3 | A75 W99 T265 Y280 M281 Q466 | A75-E263 HydrophobicContact CB-CB 3.9Å; A75-E263 HydrophobicContact CB-CG 4.08Å; W99-E263 HydrophobicContact CH2-CG 4.32Å; E263-T265 PolarHBondContact O-N 2.81Å; E263-Y280 CarbonylContact O-C 3.57Å; E263-Y280 WeakPolarHBondContact O-CA 3.33Å; E263-Y280 WeakPolarHBondContact O-CB 3.42Å; E263-M281 PolarHBondContact N-O 2.84Å; E263-M281 PolarHBondContact O-N 2.92Å; E263-Q466 PolarHBondContact OE2-NE2 3.43Å |
| 264 | A | 98.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 132.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I49 A262 V278 L307 | I49-A264 HydrophobicContact CB-CB 4.36Å; I49-A264 HydrophobicContact CD1-CB 3.85Å; I49-A264 HydrophobicContact CG1-CB 4.05Å; I49-A264 HydrophobicContact CG2-CB 3.42Å; I49-A264 VanDerWaalsContact CG2-CB 3.42Å; A262-A264 PolarHBondContact O-N 3.39Å; A264-V278 HydrophobicContact CB-CG1 3.8Å; A264-L307 HydrophobicContact CB-CD1 4.36Å |
| 265 | T | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -31.1 | -174.2 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | E263 E279 M281 P465 | E263-T265 PolarHBondContact O-N 2.81Å; T265-E279 PolarHBondContact N-O 3.35Å; T265-E279 PolarHBondContact OG1-O 3.21Å; T265-E279 VanDerWaalsContact OG1-O 3.11Å; T265-E279 PolarHBondContact OG1-OE1 2.79Å; T265-M281 HydrophobicContact CG2-CB 4.26Å; T265-P465 HydrophobicContact CG2-CB 3.68Å; T265-P465 HydrophobicContact CG2-CG 3.79Å |
| 266 | R | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146 | 174.5 | -51.9 | -173.4 | 93.3 | -170 | -0.5 | 111.3 | E279 L310 | R266-E279 HydrophobicContact CB-CB 4.21Å; R266-E279 PolarHBondContact N-O 3.27Å; R266-E279 PolarHBondContact O-N 2.77Å; R266-L310 VanDerWaalsContact CZ-O 3.3Å; R266-L310 PolarHBondContact NE-O 3.33Å; R266-L310 PolarHBondContact NH2-O 2.74Å |
| 267 | I | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.7 | 160.3 | -57.9 | 176 | 0 | 0 | 0 | 106.9 | I49 F269 A275 V295 L307 L308 S311 V569 | I49-I267 HydrophobicContact CD1-CG1 4.43Å; I267-F269 HydrophobicContact CB-CE2 3.96Å; I267-F269 HydrophobicContact CB-CZ 4.19Å; I267-F269 HydrophobicContact CG2-CD2 4.38Å; I267-F269 HydrophobicContact CG2-CE1 4.17Å; I267-F269 HydrophobicContact CG2-CE2 3.82Å; I267-F269 HydrophobicContact CG2-CZ 3.7Å; I267-A275 HydrophobicContact CG2-CB 3.76Å; I267-V295 HydrophobicContact CD1-CG1 4Å; I267-V295 HydrophobicContact CG1-CG1 4.21Å; I267-V295 HydrophobicContact CG2-CG2 4.31Å; I267-L307 HydrophobicContact CD1-CD2 4.31Å; I267-L307 HydrophobicContact CD1-CG 4.49Å; I267-L307 HydrophobicContact CG1-CD1 4.49Å; I267-L307 HydrophobicContact CG1-CD2 4.33Å; I267-L307 HydrophobicContact CG1-CG 4.34Å; I267-L308 HydrophobicContact CD1-CD2 4.17Å; I267-S311 PolarHBondContact N-OG 3.12Å; I267-V569 HydrophobicContact CD1-CG1 3.9Å; I267-V569 HydrophobicContact CD1-CG2 4.34Å; I267-V569 HydrophobicContact CG2-CG2 4.08Å |
| 268 | L | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.8 | -179.1 | -55.8 | 179.7 | 0 | 0 | 0 | 109 | A275 I276 G277 E279 V288 | L268-A275 CarbonylContact O-C 3.54Å; L268-A275 WeakPolarHBondContact O-CA 3.23Å; L268-I276 HydrophobicContact CB-CG1 4.09Å; L268-I276 WeakPolarHBondContact O-CG1 3.31Å; L268-I276 PolarHBondContact O-N 2.77Å; L268-G277 PolarHBondContact N-O 3.46Å; L268-E279 HydrophobicContact CD2-CB 4.33Å; L268-V288 HydrophobicContact CD1-CG1 3.59Å; L268-V288 HydrophobicContact CD1-CG2 4.23Å |
| 269 | F | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.7 | 177.9 | -63.3 | -85.6 | 0 | 0 | 0 | 111.2 | I267 R274 A275 V313 I327 V566 V569 | I267-F269 HydrophobicContact CB-CE2 3.96Å; I267-F269 HydrophobicContact CB-CZ 4.19Å; I267-F269 HydrophobicContact CG2-CD2 4.38Å; I267-F269 HydrophobicContact CG2-CE1 4.17Å; I267-F269 HydrophobicContact CG2-CE2 3.82Å; I267-F269 HydrophobicContact CG2-CZ 3.7Å; F269-R274 CarbonylContact C-O 3.59Å; F269-R274 VanDerWaalsContact CA-O 3.27Å; F269-R274 WeakPolarHBondContact CA-O 3.36Å; F269-A275 HydrophobicContact CD1-CB 4.16Å; F269-A275 HydrophobicContact CE1-CB 3.95Å; F269-V313 HydrophobicContact CE2-CG2 4Å; F269-V313 HydrophobicContact CZ-CG2 4.01Å; F269-I327 HydrophobicContact CB-CD1 3.88Å; F269-I327 HydrophobicContact CD2-CD1 3.42Å; F269-I327 VanDerWaalsContact CD2-CD1 3.42Å; F269-I327 HydrophobicContact CE2-CD1 4.24Å; F269-I327 HydrophobicContact CG-CD1 3.93Å; F269-I327 HydrophobicContact CG-CG2 4.46Å; F269-V566 HydrophobicContact CD1-CB 4.29Å; F269-V566 HydrophobicContact CD1-CG1 4.34Å; F269-V566 HydrophobicContact CE1-CB 3.68Å; F269-V566 HydrophobicContact CE1-CG1 3.88Å; F269-V566 HydrophobicContact CE1-CG2 3.98Å; F269-V566 HydrophobicContact CZ-CB 4.29Å; F269-V566 HydrophobicContact CZ-CG1 4.17Å; F269-V566 HydrophobicContact CZ-CG2 4.28Å; F269-V569 HydrophobicContact CE1-CG2 3.68Å; F269-V569 HydrophobicContact CZ-CG2 3.84Å |
| 270 | D | 98.2 | Very high | 98.4 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -82.8 | -174.9 | 168.8 | 68.5 | 15.8 | 0 | 0 | 0 | 112.4 | Q272 K273 R274 I276 | D270-Q272 PolarHBondContact O-N 2.94Å; D270-Q272 VanDerWaalsContact OD1-C 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.27Å; D270-Q272 PolarHBondContact OD1-N 3.07Å; D270-K273 PolarHBondContact O-N 3.14Å; D270-K273 VanDerWaalsContact O-N 3.07Å; D270-K273 PolarHBondContact OD1-N 3.41Å; D270-K273 VanDerWaalsContact OD1-N 3.07Å; D270-R274 PolarHBondContact N-O 2.67Å; D270-R274 PolarHBondContact OD1-N 2.66Å; D270-I276 HydrophobicContact CB-CG2 4.04Å | ||
| 271 | K | 97.6 | Very high | 98.4 | Very high | 201 Ų | 201 | 48.5 Ų | 48.5 | 87% | 0.874 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.1 | 179.5 | -64.8 | -175.2 | 179.6 | -178.7 | 0 | 113.2 | K273 | K271-K273 VanDerWaalsContact C-N 3.27Š|
| 272 | Q | 98.1 | Very high | 98.3 | Very high | 146 Ų | 146 | 47.1 Ų | 47.1 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9 | 177.4 | -68.3 | 71.8 | 28.6 | 0 | 0 | 111.8 | D270 R274 | D270-Q272 PolarHBondContact O-N 2.94Å; D270-Q272 VanDerWaalsContact OD1-C 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.27Å; D270-Q272 PolarHBondContact OD1-N 3.07Å; Q272-R274 PolarHBondContact O-N 2.85Å |
| 273 | K | 98.4 | Very high | 98 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 60.7 | 29 | -177.5 | -47.7 | -175.7 | -177.6 | -172.8 | 0 | 113.1 | D270 K271 I327 G565 V566 S567 | D270-K273 PolarHBondContact O-N 3.14Å; D270-K273 VanDerWaalsContact O-N 3.07Å; D270-K273 PolarHBondContact OD1-N 3.41Å; D270-K273 VanDerWaalsContact OD1-N 3.07Å; K271-K273 VanDerWaalsContact C-N 3.27Å; K273-I327 HydrophobicContact CB-CG2 4.11Å; K273-I327 HydrophobicContact CD-CG2 4.01Å; K273-I327 WeakPolarHBondContact CD-O 3.18Å; K273-I327 WeakPolarHBondContact CE-O 3.46Å; K273-I327 HydrophobicContact CG-CG2 3.91Å; K273-I327 PolarHBondContact NZ-O 2.83Å; K273-G565 VanDerWaalsContact CD-O 3.27Å; K273-G565 WeakPolarHBondContact CD-O 3.41Å; K273-V566 HydrophobicContact CB-CG1 4.26Å; K273-V566 WeakPolarHBondContact O-CA 3.33Å; K273-V566 WeakPolarHBondContact O-CB 3.48Å; K273-S567 PolarHBondContact O-N 2.81Å |
| 274 | R | 98.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 53 Ų | 53 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 132.7 | 170.7 | 176.6 | 178.3 | 175.9 | 69 | 9.2 | 110 | F269 D270 Q272 I276 R292 R293 S567 | F269-R274 CarbonylContact C-O 3.59Å; F269-R274 VanDerWaalsContact CA-O 3.27Å; F269-R274 WeakPolarHBondContact CA-O 3.36Å; D270-R274 PolarHBondContact N-O 2.67Å; D270-R274 PolarHBondContact OD1-N 2.66Å; Q272-R274 PolarHBondContact O-N 2.85Å; R274-I276 PolarHBondContact O-N 3.48Å; R274-R292 PolarHBondContact NH2-O 3.45Å; R274-R293 PolarHBondContact NH2-O 3.17Å; R274-R293 VanDerWaalsContact NH2-O 3.13Å; R274-S567 CarbonylContact C-O 3.5Å; R274-S567 WeakPolarHBondContact CA-O 3.4Å; R274-S567 VanDerWaalsContact CA-OG 3.31Å; R274-S567 WeakPolarHBondContact CA-OG 3.4Å; R274-S567 VanDerWaalsContact CB-OG 3.31Å; R274-S567 WeakPolarHBondContact CB-OG 3.33Å |
| 275 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I267 L268 F269 V295 S567 V569 | I267-A275 HydrophobicContact CG2-CB 3.76Å; L268-A275 CarbonylContact O-C 3.54Å; L268-A275 WeakPolarHBondContact O-CA 3.23Å; F269-A275 HydrophobicContact CD1-CB 4.16Å; F269-A275 HydrophobicContact CE1-CB 3.95Å; A275-V295 HydrophobicContact CB-CG2 4.13Å; A275-S567 PolarHBondContact N-O 3.33Å; A275-V569 HydrophobicContact CB-CG2 3.5Å; A275-V569 VanDerWaalsContact CB-CG2 3.5Å |
| 276 | I | 98.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -14 | -177.9 | 58.6 | 167.3 | 0 | 0 | 0 | 112.8 | L268 D270 R274 F290 V291 | L268-I276 HydrophobicContact CB-CG1 4.09Å; L268-I276 WeakPolarHBondContact O-CG1 3.31Å; L268-I276 PolarHBondContact O-N 2.77Å; D270-I276 HydrophobicContact CB-CG2 4.04Å; R274-I276 PolarHBondContact O-N 3.48Å; I276-F290 WeakPolarHBondContact O-CA 3.26Å; I276-F290 WeakPolarHBondContact O-CD1 3.28Å; I276-V291 PolarHBondContact O-N 3.37Å |
| 277 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L268 V289 | L268-G277 PolarHBondContact N-O 3.46Å; G277-V289 CarbonylContact C-O 3.58Å; G277-V289 WeakPolarHBondContact CA-O 3.23Å |
| 278 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.5 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | V47 I49 L73 A264 V288 V289 V295 | V47-V278 HydrophobicContact CB-CG2 4.21Å; V47-V278 HydrophobicContact CG1-CB 4.34Å; V47-V278 HydrophobicContact CG1-CG2 3.88Å; I49-V278 HydrophobicContact CD1-CG1 3.77Å; I49-V278 HydrophobicContact CD1-CG2 3.96Å; I49-V278 HydrophobicContact CG1-CG1 4.34Å; L73-V278 HydrophobicContact CD1-CG1 3.97Å; A264-V278 HydrophobicContact CB-CG1 3.8Å; V278-V288 WeakPolarHBondContact O-CA 3.26Å; V278-V289 HydrophobicContact CB-CG1 4.15Å; V278-V289 PolarHBondContact N-O 3.01Å; V278-V289 PolarHBondContact O-N 3.17Å; V278-V295 HydrophobicContact CG2-CB 4.39Å; V278-V295 HydrophobicContact CG2-CG1 3.75Å; V278-V295 HydrophobicContact CG2-CG2 3.67Å |
| 279 | E | 98.6 | Very high | 97.5 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.8 | 167.4 | -175.4 | -178.6 | 101.7 | 0 | 0 | 109.1 | T265 R266 L268 K286 N287 | T265-E279 PolarHBondContact N-O 3.35Å; T265-E279 PolarHBondContact OG1-O 3.21Å; T265-E279 VanDerWaalsContact OG1-O 3.11Å; T265-E279 PolarHBondContact OG1-OE1 2.79Å; R266-E279 HydrophobicContact CB-CB 4.21Å; R266-E279 PolarHBondContact N-O 3.27Å; R266-E279 PolarHBondContact O-N 2.77Å; L268-E279 HydrophobicContact CD2-CB 4.33Å; E279-K286 VanDerWaalsContact CD-CD 3.5Å; E279-K286 VanDerWaalsContact CD-CE 3.48Å; E279-K286 HydrophobicContact CG-CD 4.06Å; E279-K286 HydrophobicContact CG-CG 3.7Å; E279-K286 VanDerWaalsContact OE1-CE 3.24Å; E279-K286 WeakPolarHBondContact OE1-CE 3.25Å; E279-K286 IonicContact OE1-NZ 2.93Å; E279-K286 PolarHBondContact OE1-NZ 3.06Å; E279-K286 VanDerWaalsContact OE2-CD 3.24Å; E279-K286 WeakPolarHBondContact OE2-CD 3.49Å; E279-K286 WeakPolarHBondContact OE2-CE 3.14Å; E279-K286 IonicContact OE2-NZ 3.81Å; E279-K286 PolarHBondContact OE2-NZ 3.2Å; E279-N287 WeakPolarHBondContact CA-O 3.38Å |
| 280 | Y | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 70.4 Ų | 70.4 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.7 | 178.8 | 68.6 | -85.5 | 0 | 0 | 0 | 112.5 | L73 L259 A262 E263 R282 N287 V289 | L73-Y280 HydrophobicContact CD1-CD1 4.19Å; L73-Y280 HydrophobicContact CD1-CG 4.27Å; L259-Y280 HydrophobicContact CD2-CE2 3.71Å; A262-Y280 HydrophobicContact CB-CD2 3.86Å; A262-Y280 HydrophobicContact CB-CE2 4.27Å; E263-Y280 CarbonylContact O-C 3.57Å; E263-Y280 WeakPolarHBondContact O-CA 3.33Å; E263-Y280 WeakPolarHBondContact O-CB 3.42Å; Y280-R282 HydrophobicContact CD2-CB 4.13Å; Y280-R282 HydrophobicContact CE2-CB 4.01Å; Y280-N287 HydrophobicContact CD1-CB 4.1Å; Y280-N287 HydrophobicContact CD2-CB 4.14Å; Y280-N287 HydrophobicContact CE1-CB 3.58Å; Y280-N287 HydrophobicContact CE2-CB 3.62Å; Y280-N287 HydrophobicContact CG-CB 4.36Å; Y280-N287 PolarHBondContact N-O 3.36Å; Y280-N287 PolarHBondContact O-N 3.07Å; Y280-V289 HydrophobicContact CD1-CG1 4.22Å; Y280-V289 HydrophobicContact CE1-CB 4.18Å; Y280-V289 HydrophobicContact CE1-CG1 4.05Å |
| 281 | M | 97.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 23% | 0.232 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.4 | 176.4 | -166.5 | 61.8 | 59.4 | 0 | 0 | 109.7 | A262 E263 T265 G284 R285 K286 | A262-M281 WeakPolarHBondContact CA-O 3.48Å; E263-M281 PolarHBondContact N-O 2.84Å; E263-M281 PolarHBondContact O-N 2.92Å; T265-M281 HydrophobicContact CG2-CB 4.26Å; M281-G284 VanDerWaalsContact SD-C 3.54Å; M281-R285 WeakPolarHBondContact CA-O 3.4Å; M281-R285 VanDerWaalsContact SD-O 3.32Å; M281-K286 HydrophobicContact CE-CB 4.08Å |
| 282 | R | 95.5 | Very high | 97.5 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 130.3 | 174.7 | -174.8 | 170.9 | -173.4 | -122.2 | -0.4 | 110.1 | E36 L259 L260 H261 Y280 G284 R285 | E36-R282 IonicContact OE1-CZ 2.69Å; E36-R282 IonicContact OE1-NE 3.35Å; E36-R282 IonicContact OE1-NH2 3.7Å; E36-R282 PolarHBondContact OE1-NH2 3.43Å; E36-R282 IonicContact OE2-NH2 3.51Å; E36-R282 PolarHBondContact OE2-NH2 2.97Å; L259-R282 VanDerWaalsContact CD1-NH1 3.32Å; L260-R282 PolarHBondContact O-NE 2.82Å; L260-R282 VanDerWaalsContact O-NE 3.14Å; H261-R282 WeakPolarHBondContact O-CA 3.37Å; H261-R282 WeakPolarHBondContact O-CG 3.44Å; Y280-R282 HydrophobicContact CD2-CB 4.13Å; Y280-R282 HydrophobicContact CE2-CB 4.01Å; R282-G284 PolarHBondContact O-N 3.48Å; R282-R285 PolarHBondContact N-O 2.83Å; R282-R285 PolarHBondContact O-N 3.27Å |
| 283 | G | 92.4 | Very high | 97.5 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 79% | 0.794 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 35.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R285 | G283-R285 PolarHBondContact O-N 3.36Š|
| 284 | G | 93 | Very high | 97.6 | Very high | 72 Ų | 72 | 56 Ų | 56 | 74% | 0.742 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 4.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | M281 R282 | M281-G284 VanDerWaalsContact SD-C 3.54Å; R282-G284 PolarHBondContact O-N 3.48Å |
| 285 | R | 95.2 | Very high | 97.6 | Very high | 190 Ų | 190 | 52.3 Ų | 52.3 | 72% | 0.717 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.7 | 179.2 | -62.6 | -177.8 | -176.5 | -176.2 | 0.6 | 111 | M281 R282 G283 N287 | M281-R285 WeakPolarHBondContact CA-O 3.4Å; M281-R285 VanDerWaalsContact SD-O 3.32Å; R282-R285 PolarHBondContact N-O 2.83Å; R282-R285 PolarHBondContact O-N 3.27Å; G283-R285 PolarHBondContact O-N 3.36Å; R285-N287 PolarHBondContact O-ND2 2.96Å |
| 286 | K | 97.2 | Very high | 97.6 | Very high | 126 Ų | 126 | 52.3 Ų | 52.3 | 55% | 0.548 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.2 | 169.6 | 178.1 | -177 | -75.4 | -138.2 | 0 | 109.2 | E279 M281 | E279-K286 VanDerWaalsContact CD-CD 3.5Å; E279-K286 VanDerWaalsContact CD-CE 3.48Å; E279-K286 HydrophobicContact CG-CD 4.06Å; E279-K286 HydrophobicContact CG-CG 3.7Å; E279-K286 VanDerWaalsContact OE1-CE 3.24Å; E279-K286 WeakPolarHBondContact OE1-CE 3.25Å; E279-K286 IonicContact OE1-NZ 2.93Å; E279-K286 PolarHBondContact OE1-NZ 3.06Å; E279-K286 VanDerWaalsContact OE2-CD 3.24Å; E279-K286 WeakPolarHBondContact OE2-CD 3.49Å; E279-K286 WeakPolarHBondContact OE2-CE 3.14Å; E279-K286 IonicContact OE2-NZ 3.81Å; E279-K286 PolarHBondContact OE2-NZ 3.2Å; M281-K286 HydrophobicContact CE-CB 4.08Å |
| 287 | N | 97.6 | Very high | 97.6 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.3 | 178.9 | -64.1 | -83.9 | 0 | 0 | 0 | 109.7 | E279 Y280 R285 | E279-N287 WeakPolarHBondContact CA-O 3.38Å; Y280-N287 HydrophobicContact CD1-CB 4.1Å; Y280-N287 HydrophobicContact CD2-CB 4.14Å; Y280-N287 HydrophobicContact CE1-CB 3.58Å; Y280-N287 HydrophobicContact CE2-CB 3.62Å; Y280-N287 HydrophobicContact CG-CB 4.36Å; Y280-N287 PolarHBondContact N-O 3.36Å; Y280-N287 PolarHBondContact O-N 3.07Å; R285-N287 PolarHBondContact O-ND2 2.96Å |
| 288 | V | 98.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.4 | 175.8 | 177 | 0 | 0 | 0 | 0 | 109.1 | L268 V278 F290 | L268-V288 HydrophobicContact CD1-CG1 3.59Å; L268-V288 HydrophobicContact CD1-CG2 4.23Å; V278-V288 WeakPolarHBondContact O-CA 3.26Å; V288-F290 HydrophobicContact CG1-CE1 4.37Å; V288-F290 HydrophobicContact CG1-CE2 4.42Å; V288-F290 HydrophobicContact CG1-CZ 4.22Å |
| 289 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.9 | 168.7 | 61.1 | 0 | 0 | 0 | 0 | 109.2 | Y44 V47 L71 L73 G277 V278 Y280 | Y44-V289 HydrophobicContact CD2-CG2 3.55Å; Y44-V289 HydrophobicContact CE2-CG2 3.85Å; V47-V289 HydrophobicContact CG1-CG1 4.36Å; V47-V289 HydrophobicContact CG2-CG1 4.18Å; V47-V289 HydrophobicContact CG2-CG2 4.49Å; L71-V289 HydrophobicContact CD2-CB 4.28Å; L71-V289 HydrophobicContact CD2-CG1 3.98Å; L71-V289 HydrophobicContact CD2-CG2 3.84Å; L73-V289 HydrophobicContact CD1-CG1 4.47Å; G277-V289 CarbonylContact C-O 3.58Å; G277-V289 WeakPolarHBondContact CA-O 3.23Å; V278-V289 HydrophobicContact CB-CG1 4.15Å; V278-V289 PolarHBondContact N-O 3.01Å; V278-V289 PolarHBondContact O-N 3.17Å; Y280-V289 HydrophobicContact CD1-CG1 4.22Å; Y280-V289 HydrophobicContact CE1-CB 4.18Å; Y280-V289 HydrophobicContact CE1-CG1 4.05Å |
| 290 | F | 98.8 | Very high | 97.6 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 156.4 | 179.5 | -65.3 | -78.6 | 0 | 0 | 0 | 111.6 | R42 Q43 Y44 I276 V288 | R42-F290 PolarHBondContact O-N 3.34Å; Q43-F290 VanDerWaalsContact CA-O 3.28Å; Q43-F290 WeakPolarHBondContact CA-O 3.21Å; Q43-F290 HydrophobicContact CB-CB 4.1Å; Q43-F290 HydrophobicContact CG-CB 3.83Å; Y44-F290 PolarHBondContact N-O 2.88Å; I276-F290 WeakPolarHBondContact O-CA 3.26Å; I276-F290 WeakPolarHBondContact O-CD1 3.28Å; V288-F290 HydrophobicContact CG1-CE1 4.37Å; V288-F290 HydrophobicContact CG1-CE2 4.42Å; V288-F290 HydrophobicContact CG1-CZ 4.22Å |
| 291 | V | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.6 | -179.8 | 74 | 0 | 0 | 0 | 0 | 110.5 | Y44 D45 V47 I276 E294 V295 | Y44-V291 CarbonylContact O-C 3.54Å; Y44-V291 WeakPolarHBondContact O-CA 3.28Å; D45-V291 VanDerWaalsContact O-CG2 3.27Å; D45-V291 WeakPolarHBondContact O-CG2 3.3Å; V47-V291 HydrophobicContact CG2-CB 4.3Å; V47-V291 HydrophobicContact CG2-CG2 4.2Å; I276-V291 PolarHBondContact O-N 3.37Å; V291-E294 VanDerWaalsContact CG2-O 3.26Å; V291-E294 WeakPolarHBondContact CG2-O 3.41Å; V291-V295 HydrophobicContact CB-CG2 4.33Å; V291-V295 HydrophobicContact CG1-CG2 3.85Å; V291-V295 HydrophobicContact CG2-CG2 4.42Å |
| 292 | R | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -43.5 | 176 | -62.8 | -168.6 | -70.2 | -155.8 | -1.6 | 111.6 | Q43 Y44 D45 R274 | Q43-R292 HydrophobicContact CG-CG 3.66Å; Y44-R292 PolarHBondContact O-N 3.22Å; D45-R292 IonicContact OD1-CZ 3.25Å; D45-R292 VanDerWaalsContact OD1-CZ 3.25Å; D45-R292 IonicContact OD1-NE 3.13Å; D45-R292 PolarHBondContact OD1-NE 2.55Å; D45-R292 IonicContact OD1-NH2 2.98Å; D45-R292 PolarHBondContact OD1-NH2 3.2Å; D45-R292 IonicContact OD2-CZ 3.12Å; D45-R292 IonicContact OD2-NE 3.55Å; D45-R292 IonicContact OD2-NH2 3.87Å; D45-R292 PolarHBondContact OD2-NH2 2.93Å; R274-R292 PolarHBondContact NH2-O 3.45Å |
| 293 | R | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -77.2 | -170.4 | -58.8 | -176.5 | -174.2 | -131.9 | -6.8 | 111 | D45 F46 W68 R274 W604 | D45-R293 HydrophobicContact CB-CG 4.19Å; D45-R293 WeakPolarHBondContact O-CA 3.47Å; D45-R293 WeakPolarHBondContact O-CB 3.45Å; D45-R293 PolarHBondContact O-N 2.61Å; D45-R293 IonicContact OD1-NE 3.77Å; D45-R293 PolarHBondContact OD1-NE 2.78Å; F46-R293 HydrophobicContact CD1-CB 4.27Å; F46-R293 HydrophobicContact CE1-CB 3.81Å; F46-R293 HydrophobicContact CE2-CB 4.42Å; F46-R293 HydrophobicContact CZ-CB 3.9Å; F46-R293 VanDerWaalsContact CZ-CD 3.46Å; F46-R293 HydrophobicContact CZ-CG 4.33Å; W68-R293 VanDerWaalsContact CE2-NH1 3.3Å; W68-R293 VanDerWaalsContact CZ2-NH1 3.26Å; R274-R293 PolarHBondContact NH2-O 3.17Å; R274-R293 VanDerWaalsContact NH2-O 3.13Å; R293-W604 HydrophobicContact CB-CD2 4.24Å; R293-W604 HydrophobicContact CB-CH2 3.77Å; R293-W604 HydrophobicContact CB-CZ2 3.41Å; R293-W604 VanDerWaalsContact CB-CZ2 3.41Å; R293-W604 HydrophobicContact CB-CZ3 4.32Å; R293-W604 HydrophobicContact CG-CD2 4.14Å; R293-W604 HydrophobicContact CG-CE3 4.04Å; R293-W604 HydrophobicContact CG-CH2 3.76Å; R293-W604 HydrophobicContact CG-CZ2 3.89Å; R293-W604 HydrophobicContact CG-CZ3 3.84Å |
| 294 | E | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.7 | -172.2 | -58.1 | -177.8 | -170.7 | 0 | 0 | 113.2 | D45 F46 V47 V291 I296 G568 R570 W604 | D45-E294 PolarHBondContact O-N 3.27Å; F46-E294 WeakPolarHBondContact CA-O 3.39Å; F46-E294 HydrophobicContact CD1-CB 4.02Å; F46-E294 HydrophobicContact CE1-CB 4.05Å; F46-E294 HydrophobicContact CE1-CG 4.29Å; V47-E294 PolarHBondContact N-O 3.26Å; V291-E294 VanDerWaalsContact CG2-O 3.26Å; V291-E294 WeakPolarHBondContact CG2-O 3.41Å; E294-I296 HydrophobicContact CB-CD1 4.05Å; E294-G568 CarbonylContact C-O 3.47Å; E294-G568 VanDerWaalsContact CA-O 3.29Å; E294-G568 WeakPolarHBondContact CA-O 3.49Å; E294-R570 IonicContact OE1-CZ 2.76Å; E294-R570 IonicContact OE1-NE 3.67Å; E294-R570 PolarHBondContact OE1-NE 3Å; E294-R570 IonicContact OE1-NH2 3.31Å; E294-R570 PolarHBondContact OE1-NH2 3.43Å; E294-R570 WeakPolarHBondContact OE2-CD 3.19Å; E294-R570 WeakPolarHBondContact OE2-CG 3.21Å; E294-R570 IonicContact OE2-CZ 3.17Å; E294-R570 IonicContact OE2-NE 3.45Å; E294-R570 PolarHBondContact OE2-NE 3.34Å; E294-R570 IonicContact OE2-NH2 2.93Å; E294-W604 HydrophobicContact CG-CZ2 4.05Å; E294-W604 PolarHBondContact OE1-NE1 2.81Å |
| 295 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.2 | 162.7 | -178 | 0 | 0 | 0 | 0 | 108.6 | V47 I49 I267 A275 V278 V291 G568 V569 R570 | V47-V295 WeakPolarHBondContact O-CA 3.34Å; I49-V295 HydrophobicContact CD1-CG1 3.53Å; I49-V295 HydrophobicContact CG1-CG1 4.19Å; I267-V295 HydrophobicContact CD1-CG1 4Å; I267-V295 HydrophobicContact CG1-CG1 4.21Å; I267-V295 HydrophobicContact CG2-CG2 4.31Å; A275-V295 HydrophobicContact CB-CG2 4.13Å; V278-V295 HydrophobicContact CG2-CB 4.39Å; V278-V295 HydrophobicContact CG2-CG1 3.75Å; V278-V295 HydrophobicContact CG2-CG2 3.67Å; V291-V295 HydrophobicContact CB-CG2 4.33Å; V291-V295 HydrophobicContact CG1-CG2 3.85Å; V291-V295 HydrophobicContact CG2-CG2 4.42Å; V295-G568 PolarHBondContact N-O 2.93Å; V295-V569 WeakPolarHBondContact O-CA 3.05Å; V295-R570 PolarHBondContact O-N 2.89Å |
| 296 | I | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 106 | 175 | -46.5 | -53.5 | 0 | 0 | 0 | 107.9 | F46 V47 V48 I49 V58 L62 E294 S298 R570 V572 I600 | F46-I296 HydrophobicContact CD1-CD1 4.49Å; V47-I296 PolarHBondContact O-N 3.5Å; V48-I296 HydrophobicContact CB-CB 4.48Å; V48-I296 HydrophobicContact CG1-CB 4.39Å; V48-I296 HydrophobicContact CG2-CB 4.18Å; V48-I296 HydrophobicContact CG2-CG1 4.23Å; I49-I296 PolarHBondContact N-O 2.96Å; V58-I296 HydrophobicContact CG1-CG1 4.26Å; V58-I296 HydrophobicContact CG1-CG2 4.06Å; L62-I296 HydrophobicContact CD1-CG1 4.5Å; E294-I296 HydrophobicContact CB-CD1 4.05Å; I296-S298 PolarHBondContact O-N 3.15Å; I296-R570 HydrophobicContact CD1-CB 4.11Å; I296-R570 HydrophobicContact CD1-CG 4.45Å; I296-V572 HydrophobicContact CG2-CB 4Å; I296-V572 HydrophobicContact CG2-CG2 3.61Å; I296-I600 HydrophobicContact CD1-CD1 3.65Å; I296-I600 HydrophobicContact CG1-CD1 4.35Å |
| 297 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 107 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T304 R570 V571 V572 | A297-T304 HydrophobicContact CB-CG2 4.22Å; A297-R570 PolarHBondContact N-O 3.43Å; A297-V571 HydrophobicContact CB-CG2 4.41Å; A297-V571 WeakPolarHBondContact O-CA 3.28Å; A297-V572 PolarHBondContact O-N 3.42Å |
| 298 | S | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | trans | -130 | 31.7 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | I49 I296 G300 V572 D573 | I49-S298 CarbonylContact O-C 3.44Å; I49-S298 WeakPolarHBondContact O-CA 3.25Å; I49-S298 WeakPolarHBondContact O-CB 3.42Å; I49-S298 PolarHBondContact O-N 3.05Å; I296-S298 PolarHBondContact O-N 3.15Å; S298-G300 PolarHBondContact O-N 3.17Å; S298-V572 VanDerWaalsContact CB-O 3.25Å; S298-V572 WeakPolarHBondContact CB-O 3.35Å; S298-V572 PolarHBondContact OG-O 2.83Å; S298-D573 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 299 | A | 98.7 | Very high | 98.7 | Very high | 30 Ų | 30 | 17.5 Ų | 17.5 | 25% | 0.248 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -74.5 | -3.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I49 N303 T304 D573 | I49-A299 HydrophobicContact CG2-CB 4.33Å; I49-A299 PolarHBondContact O-N 2.97Å; I49-A299 VanDerWaalsContact O-N 3.12Å; A299-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 WeakPolarHBondContact O-CB 3.16Å; A299-T304 PolarHBondContact N-OG1 2.9Å; A299-T304 VanDerWaalsContact N-OG1 3.07Å; A299-D573 PolarHBondContact N-OD2 2.83Å |
| 300 | G | 98.5 | Very high | 98.7 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 12% | 0.124 | 9% | 0.085 | C | C | . | . | trans | 93.4 | 167 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S298 L302 N303 T304 D573 | S298-G300 PolarHBondContact O-N 3.17Å; G300-L302 PolarHBondContact O-N 3.45Å; G300-N303 PolarHBondContact O-N 3.02Å; G300-N303 VanDerWaalsContact O-N 3.13Å; G300-T304 PolarHBondContact N-OG1 2.92Å; G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.42Å; G300-T304 PolarHBondContact O-OG1 3.2Å; G300-D573 WeakPolarHBondContact CA-OD2 3.34Å; G300-D573 PolarHBondContact N-OD2 2.7Å | ||
| 301 | A | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | P305 P541 T544 A574 | A301-P305 WeakPolarHBondContact O-CG 3.5Å; A301-P541 HydrophobicContact CB-CB 4.01Å; A301-P541 HydrophobicContact CB-CG 4.26Å; A301-P541 WeakPolarHBondContact CB-O 3.35Å; A301-T544 WeakPolarHBondContact O-CB 3.11Å; A301-T544 WeakPolarHBondContact O-CG2 3.36Å; A301-T544 PolarHBondContact O-OG1 3.12Å; A301-A574 HydrophobicContact CB-CB 4.31Å |
| 302 | L | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -35 | 178.6 | -49 | 179.6 | 0 | 0 | 0 | 112.7 | Y101 W122 R124 G300 P305 M336 V458 I471 P541 | Y101-L302 HydrophobicContact CD2-CD1 3.79Å; Y101-L302 HydrophobicContact CE2-CB 4.46Å; Y101-L302 HydrophobicContact CE2-CD1 4.22Å; Y101-L302 HydrophobicContact CG-CD1 4.46Å; W122-L302 HydrophobicContact CE3-CD1 3.8Å; W122-L302 HydrophobicContact CE3-CD2 4.19Å; W122-L302 HydrophobicContact CZ3-CD1 4.24Å; W122-L302 HydrophobicContact CZ3-CD2 3.77Å; R124-L302 HydrophobicContact CG-CD1 3.88Å; G300-L302 PolarHBondContact O-N 3.45Å; L302-P305 WeakPolarHBondContact O-CG 3.35Å; L302-M336 HydrophobicContact CD2-SD 3.98Å; L302-V458 HydrophobicContact CD2-CG2 3.84Å; L302-I471 HydrophobicContact CD1-CD1 3.84Å; L302-I471 HydrophobicContact CD1-CG1 4.48Å; L302-P541 HydrophobicContact CD1-CG 4.42Å; L302-P541 HydrophobicContact CD2-CB 3.84Å; L302-P541 HydrophobicContact CD2-CG 4.24Å; L302-P541 HydrophobicContact CG-CB 4.39Å; L302-P541 HydrophobicContact CG-CG 4.26Å |
| 303 | N | 98.6 | Very high | 98.8 | Very high | 18 Ų | 18 | 7.7 Ų | 7.7 | 10% | 0.096 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -91.3 | -28.7 | -175.8 | -75.6 | -26.9 | 0 | 0 | 0 | 113.1 | W99 Y101 A299 G300 K306 L307 | W99-N303 PolarHBondContact NE1-ND2 3.13Å; Y101-N303 VanDerWaalsContact OH-CG 3.27Å; Y101-N303 PolarHBondContact OH-ND2 2.76Å; Y101-N303 PolarHBondContact OH-OD1 3.21Å; A299-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 WeakPolarHBondContact O-CB 3.16Å; G300-N303 PolarHBondContact O-N 3.02Å; G300-N303 VanDerWaalsContact O-N 3.13Å; N303-K306 PolarHBondContact O-N 3.47Å; N303-L307 VanDerWaalsContact O-CB 3.32Å; N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 PolarHBondContact O-N 3.06Å |
| 304 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.1 | -53.5 | 171.9 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | A297 A299 G300 K306 L307 L308 V571 D573 | A297-T304 HydrophobicContact CB-CG2 4.22Å; A299-T304 PolarHBondContact N-OG1 2.9Å; A299-T304 VanDerWaalsContact N-OG1 3.07Å; G300-T304 PolarHBondContact N-OG1 2.92Å; G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.42Å; G300-T304 PolarHBondContact O-OG1 3.2Å; T304-K306 VanDerWaalsContact C-N 3.29Å; T304-K306 PolarHBondContact O-N 2.67Å; T304-L307 PolarHBondContact O-N 3.49Å; T304-L308 HydrophobicContact CG2-CD1 4.38Å; T304-L308 WeakPolarHBondContact O-CG 3.47Å; T304-L308 PolarHBondContact O-N 3.35Å; T304-V571 HydrophobicContact CG2-CB 4.36Å; T304-V571 HydrophobicContact CG2-CG1 3.41Å; T304-V571 VanDerWaalsContact CG2-CG1 3.41Å; T304-V571 HydrophobicContact CG2-CG2 4.01Å; T304-D573 WeakPolarHBondContact CB-OD2 3.32Å; T304-D573 PolarHBondContact OG1-OD2 2.88Å |
| 305 | P | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 177.5 | 25.9 | -37 | 0 | 0 | 0 | 112.2 | A301 L302 L308 M309 V332 V458 | A301-P305 WeakPolarHBondContact O-CG 3.5Å; L302-P305 WeakPolarHBondContact O-CG 3.35Å; P305-L308 PolarHBondContact O-N 2.96Å; P305-M309 HydrophobicContact CB-CE 4.37Å; P305-M309 WeakPolarHBondContact O-CB 3.22Å; P305-M309 WeakPolarHBondContact O-CE 3.23Å; P305-M309 VanDerWaalsContact O-CG 3.32Å; P305-M309 WeakPolarHBondContact O-CG 3.43Å; P305-M309 PolarHBondContact O-N 3.34Å; P305-V332 VanDerWaalsContact CA-CG1 3.44Å; P305-V332 HydrophobicContact CB-CG1 3.51Å; P305-V332 WeakPolarHBondContact O-CG1 3.39Å; P305-V458 HydrophobicContact CG-CB 4.3Å; P305-V458 HydrophobicContact CG-CG1 4.23Å |
| 306 | K | 98.7 | Very high | 98.8 | Very high | 11 Ų | 11 | 6.5 Ų | 6.5 | 5% | 0.048 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.7 | -179.6 | -168.4 | 173.2 | -168.9 | 0 | 111.7 | N303 T304 M309 L310 L460 P465 H467 P469 | N303-K306 PolarHBondContact O-N 3.47Å; T304-K306 VanDerWaalsContact C-N 3.29Å; T304-K306 PolarHBondContact O-N 2.67Å; K306-M309 PolarHBondContact O-N 2.59Å; K306-L310 HydrophobicContact CG-CD1 3.99Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 VanDerWaalsContact O-CG 3.3Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.19Å; K306-L460 HydrophobicContact CB-CD2 4.3Å; K306-L460 HydrophobicContact CG-CD2 3.7Å; K306-P465 VanDerWaalsContact CE-O 3.24Å; K306-P465 WeakPolarHBondContact CE-O 3.14Å; K306-P465 PolarHBondContact NZ-O 3.47Å; K306-H467 WeakPolarHBondContact CE-O 3.44Å; K306-H467 PolarHBondContact NZ-O 2.99Å; K306-P469 HydrophobicContact CD-CG 4.44Å |
| 307 | L | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 178.4 | 174 | 65.2 | 0 | 0 | 0 | 111.2 | I49 A264 I267 N303 T304 L310 S311 | I49-L307 HydrophobicContact CD1-CD2 3.62Å; I49-L307 HydrophobicContact CG2-CD2 4Å; A264-L307 HydrophobicContact CB-CD1 4.36Å; I267-L307 HydrophobicContact CD1-CD2 4.31Å; I267-L307 HydrophobicContact CD1-CG 4.49Å; I267-L307 HydrophobicContact CG1-CD1 4.49Å; I267-L307 HydrophobicContact CG1-CD2 4.33Å; I267-L307 HydrophobicContact CG1-CG 4.34Å; N303-L307 VanDerWaalsContact O-CB 3.32Å; N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 PolarHBondContact O-N 3.06Å; T304-L307 PolarHBondContact O-N 3.49Å; L307-L310 PolarHBondContact O-N 2.91Å; L307-S311 WeakPolarHBondContact O-CB 3.22Å; L307-S311 PolarHBondContact O-N 2.96Å; L307-S311 PolarHBondContact O-OG 3.25Å |
| 308 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.4 | -70.1 | -179.8 | 0 | 0 | 0 | 111.1 | I267 T304 P305 L310 S311 G312 V313 V332 V556 V569 V571 | I267-L308 HydrophobicContact CD1-CD2 4.17Å; T304-L308 HydrophobicContact CG2-CD1 4.38Å; T304-L308 WeakPolarHBondContact O-CG 3.47Å; T304-L308 PolarHBondContact O-N 3.35Å; P305-L308 PolarHBondContact O-N 2.96Å; L308-L310 PolarHBondContact O-N 3.06Å; L308-S311 CarbonylContact O-C 3.45Å; L308-S311 WeakPolarHBondContact O-CA 3.15Å; L308-S311 WeakPolarHBondContact O-CB 3.22Å; L308-S311 PolarHBondContact O-N 2.87Å; L308-G312 PolarHBondContact O-N 3.45Å; L308-V313 CarbonylContact C-O 2.96Å; L308-V313 HydrophobicContact CB-CB 4.31Å; L308-V313 PolarHBondContact O-N 2.97Å; L308-V313 VanDerWaalsContact O-O 3.1Å; L308-V332 HydrophobicContact CB-CG1 4Å; L308-V332 HydrophobicContact CB-CG2 4.5Å; L308-V332 HydrophobicContact CD1-CG1 4.26Å; L308-V332 HydrophobicContact CD1-CG2 4.26Å; L308-V556 HydrophobicContact CD1-CG1 4.43Å; L308-V569 HydrophobicContact CD2-CG1 4.39Å; L308-V571 HydrophobicContact CD1-CG2 3.93Å |
| 309 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 177.9 | -74.5 | -174.9 | -76.1 | 0 | 0 | 111.9 | P305 K306 S311 G312 V313 L319 V332 L460 | P305-M309 HydrophobicContact CB-CE 4.37Å; P305-M309 WeakPolarHBondContact O-CB 3.22Å; P305-M309 WeakPolarHBondContact O-CE 3.23Å; P305-M309 VanDerWaalsContact O-CG 3.32Å; P305-M309 WeakPolarHBondContact O-CG 3.43Å; P305-M309 PolarHBondContact O-N 3.34Å; K306-M309 PolarHBondContact O-N 2.59Å; M309-S311 PolarHBondContact O-N 3.33Å; M309-G312 PolarHBondContact O-N 2.99Å; M309-V313 WeakPolarHBondContact CA-O 3.06Å; M309-V313 PolarHBondContact N-O 3.28Å; M309-V313 VanDerWaalsContact N-O 3.14Å; M309-L319 HydrophobicContact CB-CD2 3.87Å; M309-L319 HydrophobicContact CG-CD2 4.24Å; M309-L319 WeakPolarHBondContact O-CD2 3.4Å; M309-V332 HydrophobicContact CG-CB 4.42Å; M309-V332 HydrophobicContact CG-CG1 4.02Å; M309-L460 HydrophobicContact CB-CD1 3.8Å; M309-L460 HydrophobicContact CB-CD2 4.03Å; M309-L460 HydrophobicContact CB-CG 3.87Å; M309-L460 HydrophobicContact CE-CD2 4.08Å; M309-L460 HydrophobicContact CE-CG 4.13Å; M309-L460 HydrophobicContact SD-CG 4.1Å |
| 310 | L | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -25.3 | 175.6 | -71.8 | 169.4 | 0 | 0 | 0 | 112.9 | R266 K306 L307 L308 G312 I324 L460 P465 | R266-L310 VanDerWaalsContact CZ-O 3.3Å; R266-L310 PolarHBondContact NE-O 3.33Å; R266-L310 PolarHBondContact NH2-O 2.74Å; K306-L310 HydrophobicContact CG-CD1 3.99Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 VanDerWaalsContact O-CG 3.3Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.19Å; L307-L310 PolarHBondContact O-N 2.91Å; L308-L310 PolarHBondContact O-N 3.06Å; L310-G312 VanDerWaalsContact C-N 3.31Å; L310-I324 HydrophobicContact CD2-CD1 4.28Å; L310-L460 HydrophobicContact CD2-CD1 3.93Å; L310-L460 HydrophobicContact CD2-CD2 4.19Å; L310-L460 HydrophobicContact CG-CD1 4.23Å; L310-L460 HydrophobicContact CG-CD2 3.89Å; L310-P465 HydrophobicContact CD1-CB 3.92Å |
| 311 | S | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.3 | 176.3 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | I267 L307 L308 M309 I327 | I267-S311 PolarHBondContact N-OG 3.12Å; L307-S311 WeakPolarHBondContact O-CB 3.22Å; L307-S311 PolarHBondContact O-N 2.96Å; L307-S311 PolarHBondContact O-OG 3.25Å; L308-S311 CarbonylContact O-C 3.45Å; L308-S311 WeakPolarHBondContact O-CA 3.15Å; L308-S311 WeakPolarHBondContact O-CB 3.22Å; L308-S311 PolarHBondContact O-N 2.87Å; M309-S311 PolarHBondContact O-N 3.33Å; S311-I327 WeakPolarHBondContact O-CD1 3.42Å |
| 312 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 14.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L308 M309 L310 P325 I327 S328 | L308-G312 PolarHBondContact O-N 3.45Å; M309-G312 PolarHBondContact O-N 2.99Å; L310-G312 VanDerWaalsContact C-N 3.31Å; G312-P325 VanDerWaalsContact CA-O 3.28Å; G312-P325 WeakPolarHBondContact CA-O 3.07Å; G312-I327 WeakPolarHBondContact O-CA 3.37Å; G312-I327 WeakPolarHBondContact O-CB 3.49Å; G312-I327 PolarHBondContact O-N 3.14Å; G312-S328 PolarHBondContact O-N 2.84Å |
| 313 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 107.4 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | F269 L308 M309 I327 S328 L330 V332 V563 V566 | F269-V313 HydrophobicContact CE2-CG2 4Å; F269-V313 HydrophobicContact CZ-CG2 4.01Å; L308-V313 CarbonylContact C-O 2.96Å; L308-V313 HydrophobicContact CB-CB 4.31Å; L308-V313 PolarHBondContact O-N 2.97Å; L308-V313 VanDerWaalsContact O-O 3.1Å; M309-V313 WeakPolarHBondContact CA-O 3.06Å; M309-V313 PolarHBondContact N-O 3.28Å; M309-V313 VanDerWaalsContact N-O 3.14Å; V313-I327 HydrophobicContact CG2-CB 4.47Å; V313-S328 WeakPolarHBondContact CA-O 3.41Å; V313-L330 HydrophobicContact CG1-CD1 3.86Å; V313-V332 HydrophobicContact CG1-CG2 4.35Å; V313-V563 HydrophobicContact CG1-CG1 3.97Å; V313-V566 HydrophobicContact CG2-CG1 3.83Å |
| 314 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -172.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A316 S328 D329 L330 | G314-A316 PolarHBondContact O-N 3.14Å; G314-S328 PolarHBondContact N-O 3.03Å; G314-S328 VanDerWaalsContact N-O 3.07Å; G314-D329 WeakPolarHBondContact O-CA 3.43Å; G314-L330 CarbonylContact C-O 3.53Å; G314-L330 VanDerWaalsContact CA-O 3.25Å; G314-L330 WeakPolarHBondContact CA-O 3.25Å; G314-L330 PolarHBondContact O-N 2.87Å |
| 315 | P | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | trans | -62 | 120.5 | -171.8 | -23.8 | 33.5 | 0 | 0 | 0 | 110.9 | E317 H318 L319 L330 V332 | P315-E317 VanDerWaalsContact C-N 3.32Å; P315-E317 PolarHBondContact O-N 3.22Å; P315-H318 HydrophobicContact CB-CB 4.15Å; P315-H318 PolarHBondContact O-N 3.26Å; P315-H318 VanDerWaalsContact O-N 3.11Å; P315-L319 WeakPolarHBondContact O-CG 3.49Å; P315-L319 PolarHBondContact O-N 2.94Å; P315-L330 WeakPolarHBondContact CA-O 3.24Å; P315-L330 WeakPolarHBondContact CD-O 3.43Å; P315-V332 WeakPolarHBondContact CD-O 3.26Å | ||
| 316 | A | 98.7 | Very high | 98.7 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.9 | -45.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G314 L319 Q320 V326 D329 | G314-A316 PolarHBondContact O-N 3.14Å; A316-L319 PolarHBondContact O-N 2.99Å; A316-Q320 WeakPolarHBondContact O-CB 3.36Å; A316-Q320 WeakPolarHBondContact O-CG 3.26Å; A316-Q320 PolarHBondContact O-N 2.8Å; A316-V326 HydrophobicContact CB-CG1 4.14Å; A316-V326 HydrophobicContact CB-CG2 4.17Å; A316-D329 HydrophobicContact CB-CB 4.01Å; A316-D329 PolarHBondContact N-OD1 3.5Å |
| 317 | E | 98.5 | Very high | 98.7 | Very high | 151 Ų | 151 | 40 Ų | 40 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.7 | -49.9 | 177.8 | -63.8 | 179.8 | 171.6 | 0 | 0 | 111.5 | P315 L319 Q320 E321 | P315-E317 VanDerWaalsContact C-N 3.32Å; P315-E317 PolarHBondContact O-N 3.22Å; E317-L319 VanDerWaalsContact C-N 3.3Å; E317-L319 PolarHBondContact O-N 3.13Å; E317-Q320 WeakPolarHBondContact O-CB 3.21Å; E317-Q320 PolarHBondContact O-N 3.49Å; E317-Q320 VanDerWaalsContact O-N 3.15Å; E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.02Å |
| 318 | H | 98.6 | Very high | 98.6 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -36 | 178.6 | -175.5 | 72.6 | 0 | 0 | 0 | 112.5 | P315 E321 H322 L460 | P315-H318 HydrophobicContact CB-CB 4.15Å; P315-H318 PolarHBondContact O-N 3.26Å; P315-H318 VanDerWaalsContact O-N 3.11Å; H318-E321 IonicContact ND1-OE2 3.5Å; H318-H322 AromaticContact CE1-CD2 3.52Å; H318-H322 AromaticContact CE1-NE2 3.26Å; H318-H322 PolarHBondContact CE1-NE2 2.97Å; H318-H322 VanDerWaalsContact CE1-NE2 3.26Å; H318-H322 AromaticContact NE2-CD2 3.34Å; H318-H322 PolarHBondContact NE2-CD2 3.08Å; H318-H322 VanDerWaalsContact NE2-CD2 3.34Å; H318-H322 AromaticContact NE2-NE2 3.42Å; H318-H322 PolarHBondContact NE2-NE2 3.18Å; H318-H322 PolarHBondContact O-CD2 3.2Å; H318-H322 VanDerWaalsContact O-CD2 3.31Å; H318-L460 WeakPolarHBondContact NE2-CB 3.4Å; H318-L460 PolarHBondContact NE2-N 3.26Å; H318-L460 VanDerWaalsContact NE2-N 3.19Å |
| 319 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 175.5 | -65.4 | -175.1 | 0 | 0 | 0 | 111.8 | M309 P315 A316 E317 H322 N323 I324 V326 | M309-L319 HydrophobicContact CB-CD2 3.87Å; M309-L319 HydrophobicContact CG-CD2 4.24Å; M309-L319 WeakPolarHBondContact O-CD2 3.4Å; P315-L319 WeakPolarHBondContact O-CG 3.49Å; P315-L319 PolarHBondContact O-N 2.94Å; A316-L319 PolarHBondContact O-N 2.99Å; E317-L319 VanDerWaalsContact C-N 3.3Å; E317-L319 PolarHBondContact O-N 3.13Å; L319-H322 CarbonylContact O-C 3.11Å; L319-H322 PolarHBondContact O-N 3.33Å; L319-N323 PolarHBondContact O-N 3.14Å; L319-I324 HydrophobicContact CB-CB 4.33Å; L319-I324 HydrophobicContact CD2-CB 4.45Å; L319-I324 HydrophobicContact CD2-CD1 4.42Å; L319-I324 HydrophobicContact CD2-CG2 4.35Å; L319-I324 PolarHBondContact O-N 3.27Å; L319-V326 HydrophobicContact CB-CG2 3.96Å; L319-V326 HydrophobicContact CD1-CG1 4.39Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å |
| 320 | Q | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 46.1 Ų | 46.1 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.4 | -40.9 | 177.2 | -71.9 | 166.1 | -9.3 | 0 | 0 | 111.8 | A316 E317 H322 N323 V326 | A316-Q320 WeakPolarHBondContact O-CB 3.36Å; A316-Q320 WeakPolarHBondContact O-CG 3.26Å; A316-Q320 PolarHBondContact O-N 2.8Å; E317-Q320 WeakPolarHBondContact O-CB 3.21Å; E317-Q320 PolarHBondContact O-N 3.49Å; E317-Q320 VanDerWaalsContact O-N 3.15Å; Q320-H322 PolarHBondContact O-N 2.75Å; Q320-H322 VanDerWaalsContact O-N 3.13Å; Q320-N323 PolarHBondContact O-N 2.9Å; Q320-V326 HydrophobicContact CG-CG2 4.15Å |
| 321 | E | 98.3 | Very high | 98.6 | Very high | 140 Ų | 140 | 47 Ų | 47 | 65% | 0.654 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -53.8 | -32.5 | 173.2 | -74.1 | 175 | -166.5 | 0 | 0 | 112.8 | E317 H318 | E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.02Å; H318-E321 IonicContact ND1-OE2 3.5Å |
| 322 | H | 98.3 | Very high | 98.6 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8.4 | 178 | -71.1 | -59.3 | 0 | 0 | 0 | 114.4 | H318 L319 Q320 I324 L460 | H318-H322 AromaticContact CE1-CD2 3.52Å; H318-H322 AromaticContact CE1-NE2 3.26Å; H318-H322 PolarHBondContact CE1-NE2 2.97Å; H318-H322 VanDerWaalsContact CE1-NE2 3.26Å; H318-H322 AromaticContact NE2-CD2 3.34Å; H318-H322 PolarHBondContact NE2-CD2 3.08Å; H318-H322 VanDerWaalsContact NE2-CD2 3.34Å; H318-H322 AromaticContact NE2-NE2 3.42Å; H318-H322 PolarHBondContact NE2-NE2 3.18Å; H318-H322 PolarHBondContact O-CD2 3.2Å; H318-H322 VanDerWaalsContact O-CD2 3.31Å; L319-H322 CarbonylContact O-C 3.11Å; L319-H322 PolarHBondContact O-N 3.33Å; Q320-H322 PolarHBondContact O-N 2.75Å; Q320-H322 VanDerWaalsContact O-N 3.13Å; H322-I324 HydrophobicContact CB-CD1 3.91Å; H322-I324 HydrophobicContact CB-CG1 4.06Å; H322-I324 PolarHBondContact O-N 3.39Å; H322-L460 PolarHBondContact NE2-O 2.92Å |
| 323 | N | 98.2 | Very high | 98.6 | Very high | 127 Ų | 127 | 46.9 Ų | 46.9 | 68% | 0.679 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 40 | -175 | -60.6 | -69.9 | 0 | 0 | 0 | 112.7 | L319 Q320 R463 | L319-N323 PolarHBondContact O-N 3.14Å; Q320-N323 PolarHBondContact O-N 2.9Å; N323-R463 PolarHBondContact O-NH1 2.6Å |
| 324 | I | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 123.3 | 175 | -62.1 | 171 | 0 | 0 | 0 | 108 | L310 L319 H322 V326 L460 R463 | L310-I324 HydrophobicContact CD2-CD1 4.28Å; L319-I324 HydrophobicContact CB-CB 4.33Å; L319-I324 HydrophobicContact CD2-CB 4.45Å; L319-I324 HydrophobicContact CD2-CD1 4.42Å; L319-I324 HydrophobicContact CD2-CG2 4.35Å; L319-I324 PolarHBondContact O-N 3.27Å; H322-I324 HydrophobicContact CB-CD1 3.91Å; H322-I324 HydrophobicContact CB-CG1 4.06Å; H322-I324 PolarHBondContact O-N 3.39Å; I324-V326 PolarHBondContact O-N 2.93Å; I324-L460 HydrophobicContact CD1-CD1 3.46Å; I324-L460 VanDerWaalsContact CD1-CD1 3.46Å; I324-R463 HydrophobicContact CD1-CG 4.27Å; I324-R463 HydrophobicContact CG1-CG 4.01Å |
| 325 | P | 98.2 | Very high | 98.6 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 128.2 | 175.5 | -25.2 | 34.6 | 0 | 0 | 0 | 111.5 | G312 I327 | G312-P325 VanDerWaalsContact CA-O 3.28Å; G312-P325 WeakPolarHBondContact CA-O 3.07Å; P325-I327 PolarHBondContact O-N 2.97Å |
| 326 | V | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 117.1 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | A316 L319 Q320 I324 | A316-V326 HydrophobicContact CB-CG1 4.14Å; A316-V326 HydrophobicContact CB-CG2 4.17Å; L319-V326 HydrophobicContact CB-CG2 3.96Å; L319-V326 HydrophobicContact CD1-CG1 4.39Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å; Q320-V326 HydrophobicContact CG-CG2 4.15Å; I324-V326 PolarHBondContact O-N 2.93Å |
| 327 | I | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -93.4 | -45 | 172.4 | -60.4 | -174.5 | 0 | 0 | 0 | 109.6 | F269 K273 S311 G312 V313 P325 V566 | F269-I327 HydrophobicContact CB-CD1 3.88Å; F269-I327 HydrophobicContact CD2-CD1 3.42Å; F269-I327 VanDerWaalsContact CD2-CD1 3.42Å; F269-I327 HydrophobicContact CE2-CD1 4.24Å; F269-I327 HydrophobicContact CG-CD1 3.93Å; F269-I327 HydrophobicContact CG-CG2 4.46Å; K273-I327 HydrophobicContact CB-CG2 4.11Å; K273-I327 HydrophobicContact CD-CG2 4.01Å; K273-I327 WeakPolarHBondContact CD-O 3.18Å; K273-I327 WeakPolarHBondContact CE-O 3.46Å; K273-I327 HydrophobicContact CG-CG2 3.91Å; K273-I327 PolarHBondContact NZ-O 2.83Å; S311-I327 WeakPolarHBondContact O-CD1 3.42Å; G312-I327 WeakPolarHBondContact O-CA 3.37Å; G312-I327 WeakPolarHBondContact O-CB 3.49Å; G312-I327 PolarHBondContact O-N 3.14Å; V313-I327 HydrophobicContact CG2-CB 4.47Å; P325-I327 PolarHBondContact O-N 2.97Å; I327-V566 HydrophobicContact CG2-CG1 3.91Å |
| 328 | S | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 128.4 | 177.2 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | G312 V313 G314 Y564 | G312-S328 PolarHBondContact O-N 2.84Å; V313-S328 WeakPolarHBondContact CA-O 3.41Å; G314-S328 PolarHBondContact N-O 3.03Å; G314-S328 VanDerWaalsContact N-O 3.07Å; S328-Y564 PolarHBondContact OG-O 3.46Å |
| 329 | D | 98.7 | Very high | 98.5 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.2 | 174.7 | -174.5 | 18.3 | 0 | 0 | 0 | 109.1 | G314 A316 | G314-D329 WeakPolarHBondContact O-CA 3.43Å; A316-D329 HydrophobicContact CB-CB 4.01Å; A316-D329 PolarHBondContact N-OD1 3.5Å |
| 330 | L | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | trans | -144.6 | 152.7 | -177.2 | -73.6 | -176.9 | 0 | 0 | 0 | 110.2 | V313 G314 P315 V332 V556 V563 Y564 | V313-L330 HydrophobicContact CG1-CD1 3.86Å; G314-L330 CarbonylContact C-O 3.53Å; G314-L330 VanDerWaalsContact CA-O 3.25Å; G314-L330 WeakPolarHBondContact CA-O 3.25Å; G314-L330 PolarHBondContact O-N 2.87Å; P315-L330 WeakPolarHBondContact CA-O 3.24Å; P315-L330 WeakPolarHBondContact CD-O 3.43Å; L330-V332 HydrophobicContact CB-CG2 3.95Å; L330-V332 PolarHBondContact O-N 2.77Å; L330-V556 HydrophobicContact CD1-CG1 4.23Å; L330-V563 HydrophobicContact CD1-CG1 3.82Å; L330-Y564 WeakPolarHBondContact CD1-O 3.15Å | ||
| 331 | P | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | trans | -74.6 | 37 | 179.9 | 33.4 | -37.7 | 0 | 0 | 0 | 113.6 | G333 N334 T554 V556 | P331-G333 PolarHBondContact O-N 2.68Å; P331-N334 HydrophobicContact CB-CB 4.36Å; P331-N334 VanDerWaalsContact O-CB 3.28Å; P331-N334 WeakPolarHBondContact O-CB 3.49Å; P331-N334 PolarHBondContact O-N 3.14Å; P331-N334 VanDerWaalsContact O-N 3.08Å; P331-T554 VanDerWaalsContact CG-O 3.31Å; P331-T554 WeakPolarHBondContact CG-O 3.41Å; P331-V556 HydrophobicContact CG-CG2 4.04Å | ||
| 332 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.2 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | P305 L308 M309 V313 P315 L330 N334 V556 | P305-V332 VanDerWaalsContact CA-CG1 3.44Å; P305-V332 HydrophobicContact CB-CG1 3.51Å; P305-V332 WeakPolarHBondContact O-CG1 3.39Å; L308-V332 HydrophobicContact CB-CG1 4Å; L308-V332 HydrophobicContact CB-CG2 4.5Å; L308-V332 HydrophobicContact CD1-CG1 4.26Å; L308-V332 HydrophobicContact CD1-CG2 4.26Å; M309-V332 HydrophobicContact CG-CB 4.42Å; M309-V332 HydrophobicContact CG-CG1 4.02Å; V313-V332 HydrophobicContact CG1-CG2 4.35Å; P315-V332 WeakPolarHBondContact CD-O 3.26Å; L330-V332 HydrophobicContact CB-CG2 3.95Å; L330-V332 PolarHBondContact O-N 2.77Å; V332-N334 VanDerWaalsContact C-N 3.33Å; V332-V556 HydrophobicContact CG2-CG1 3.75Å; V332-V556 HydrophobicContact CG2-CG2 4.05Å |
| 333 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -8.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | P331 W457 V458 T544 | P331-G333 PolarHBondContact O-N 2.68Å; G333-W457 CarbonylContact O-C 2.96Å; G333-W457 WeakPolarHBondContact O-CA 3.39Å; G333-W457 WeakPolarHBondContact O-CB 3.41Å; G333-V458 PolarHBondContact O-N 2.97Å; G333-T544 WeakPolarHBondContact CA-O 3.38Å; G333-T544 PolarHBondContact N-O 2.95Å |
| 334 | N | 98.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 22.2 Ų | 22.2 | 30% | 0.299 | 13% | 0.129 | S | C | . | . | trans | -78.3 | 174.9 | 173.5 | -65.8 | -9.5 | 0 | 0 | 0 | 111.5 | P331 V332 M336 R459 T544 | P331-N334 HydrophobicContact CB-CB 4.36Å; P331-N334 VanDerWaalsContact O-CB 3.28Å; P331-N334 WeakPolarHBondContact O-CB 3.49Å; P331-N334 PolarHBondContact O-N 3.14Å; P331-N334 VanDerWaalsContact O-N 3.08Å; V332-N334 VanDerWaalsContact C-N 3.33Å; N334-M336 PolarHBondContact O-N 2.89Å; N334-R459 VanDerWaalsContact OD1-CZ 3.25Å; N334-R459 PolarHBondContact OD1-NH1 2.92Å; N334-R459 PolarHBondContact OD1-NH2 3.21Å; N334-T544 VanDerWaalsContact O-CA 3.25Å; N334-T544 WeakPolarHBondContact O-CA 3.16Å | ||
| 335 | N | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 22.3 Ų | 22.3 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 59.6 | 30.3 | 175.4 | -173.1 | 60.4 | 0 | 0 | 0 | 113.3 | Q337 G456 G543 P578 | N335-Q337 PolarHBondContact ND2-NE2 2.57Å; N335-Q337 PolarHBondContact O-N 2.96Å; N335-Q337 VanDerWaalsContact O-N 3.13Å; N335-Q337 PolarHBondContact OD1-NE2 3Å; N335-G456 PolarHBondContact N-O 3.45Å; N335-G543 PolarHBondContact ND2-O 3.25Å; N335-G543 CarbonylContact O-C 3.5Å; N335-G543 WeakPolarHBondContact O-CA 3.46Å; N335-P578 PolarHBondContact ND2-O 2.96Å; N335-P578 VanDerWaalsContact ND2-O 3.1Å |
| 336 | M | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 113.5 | 176.4 | -168.4 | -178.1 | 71.5 | 0 | 0 | 109.2 | W122 L302 N334 G456 V458 I471 I472 P473 A542 T544 | W122-M336 HydrophobicContact CH2-CE 3.44Å; W122-M336 VanDerWaalsContact CH2-CE 3.44Å; W122-M336 HydrophobicContact CH2-CG 4.43Å; W122-M336 HydrophobicContact CH2-SD 3.7Å; W122-M336 HydrophobicContact CZ2-CE 4.33Å; W122-M336 HydrophobicContact CZ3-CE 3.92Å; W122-M336 HydrophobicContact CZ3-SD 3.63Å; L302-M336 HydrophobicContact CD2-SD 3.98Å; N334-M336 PolarHBondContact O-N 2.89Å; M336-G456 VanDerWaalsContact CB-C 3.45Å; M336-G456 WeakPolarHBondContact CB-O 3.34Å; M336-G456 PolarHBondContact N-O 3.38Å; M336-G456 PolarHBondContact O-N 2.82Å; M336-V458 HydrophobicContact CG-CG2 4.37Å; M336-V458 HydrophobicContact SD-CG2 3.5Å; M336-V458 WeakPolarHBondContact SD-CG2 3.29Å; M336-I471 HydrophobicContact CE-CG2 3.92Å; M336-I471 HydrophobicContact SD-CG2 4.01Å; M336-I472 VanDerWaalsContact CE-C 3.47Å; M336-I472 VanDerWaalsContact CE-O 3.25Å; M336-I472 WeakPolarHBondContact CE-O 3.14Å; M336-P473 HydrophobicContact CE-CB 4.21Å; M336-P473 HydrophobicContact CE-CG 4.36Å; M336-A542 WeakPolarHBondContact CA-O 3.41Å; M336-T544 HydrophobicContact CB-CG2 3.73Å; M336-T544 HydrophobicContact CG-CG2 3.7Å |
| 337 | Q | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 15.6 Ų | 15.6 | 5% | 0.051 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -109.6 | 154 | 177 | -72.3 | 167.5 | 60.7 | 0 | 0 | 109.6 | N335 T455 P541 A542 P578 I580 | N335-Q337 PolarHBondContact ND2-NE2 2.57Å; N335-Q337 PolarHBondContact O-N 2.96Å; N335-Q337 VanDerWaalsContact O-N 3.13Å; N335-Q337 PolarHBondContact OD1-NE2 3Å; Q337-T455 HydrophobicContact CG-CG2 3.76Å; Q337-P541 CarbonylContact O-C 3.55Å; Q337-P541 VanDerWaalsContact O-CA 3.25Å; Q337-P541 WeakPolarHBondContact O-CA 3.46Å; Q337-A542 PolarHBondContact N-O 2.89Å; Q337-A542 PolarHBondContact O-N 3.32Å; Q337-P578 PolarHBondContact NE2-O 3.11Å; Q337-I580 HydrophobicContact CB-CB 4.14Å; Q337-I580 HydrophobicContact CB-CG2 4.23Å |
| 338 | D | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.032 | 8% | 0.081 | C | C | . | . | trans | -158.3 | 148.9 | 176.4 | -179.9 | 46.8 | 0 | 0 | 0 | 110 | W122 Y475 T537 H540 | W122-D338 HydrophobicContact CH2-CB 4.19Å; W122-D338 HydrophobicContact CZ2-CB 4.13Å; D338-Y475 HydrophobicContact CB-CE1 4.11Å; D338-Y475 PolarHBondContact OD2-OH 3.07Å; D338-T537 PolarHBondContact OD1-OG1 3Å; D338-T537 VanDerWaalsContact OD2-CB 3.26Å; D338-T537 WeakPolarHBondContact OD2-CB 3.46Å; D338-T537 PolarHBondContact OD2-OG1 2.82Å; D338-H540 WeakPolarHBondContact OD1-CA 3.44Å; D338-H540 PolarHBondContact OD1-N 3.28Å | ||
| 339 | H | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -80.8 | 127 | 171.6 | -70.3 | 162.9 | 0 | 0 | 0 | 110.2 | L449 L450 I538 H540 V581 G583 | H339-L449 PolarHBondContact CD2-O 2.76Å; H339-L450 PolarHBondContact NE2-O 2.91Å; H339-L450 VanDerWaalsContact NE2-O 3.09Å; H339-I538 HydrophobicContact CB-CD1 3.56Å; H339-I538 HydrophobicContact CB-CG1 3.59Å; H339-I538 PolarHBondContact O-N 3.24Å; H339-H540 HydrophobicContact CB-CB 4.38Å; H339-H540 AromaticContact CG-ND1 3.87Å; H339-H540 AromaticContact ND1-ND1 3.21Å; H339-H540 PolarHBondContact ND1-ND1 3.29Å; H339-V581 PolarHBondContact CE1-O 3.42Å; H339-V581 PolarHBondContact NE2-O 2.86Å; H339-V581 VanDerWaalsContact NE2-O 3.16Å; H339-G583 PolarHBondContact CE1-O 2.84Å; H339-G583 PolarHBondContact ND1-O 3.18Å | ||
| 340 | V | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.8 | -174.9 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | L449 Y475 F476 T535 F536 | V340-L449 HydrophobicContact CG1-CD2 4.34Å; V340-L449 VanDerWaalsContact O-CB 3.29Å; V340-L449 WeakPolarHBondContact O-CB 3.41Å; V340-L449 PolarHBondContact O-N 2.95Å; V340-Y475 HydrophobicContact CB-CD1 3.95Å; V340-Y475 HydrophobicContact CB-CE1 3.8Å; V340-Y475 HydrophobicContact CG1-CD1 4.06Å; V340-Y475 HydrophobicContact CG1-CE1 4.35Å; V340-Y475 HydrophobicContact CG2-CD1 3.95Å; V340-Y475 HydrophobicContact CG2-CD2 4.4Å; V340-Y475 HydrophobicContact CG2-CE1 3.92Å; V340-Y475 HydrophobicContact CG2-CE2 4.39Å; V340-Y475 HydrophobicContact CG2-CG 4.17Å; V340-F476 HydrophobicContact CG1-CE1 3.77Å; V340-F476 HydrophobicContact CG1-CZ 4.14Å; V340-F476 HydrophobicContact CG2-CE1 4.2Å; V340-F476 HydrophobicContact CG2-CZ 3.69Å; V340-T535 HydrophobicContact CG2-CG2 3.46Å; V340-T535 VanDerWaalsContact CG2-CG2 3.46Å; V340-F536 CarbonylContact C-O 3.51Å; V340-F536 VanDerWaalsContact CA-O 3.31Å; V340-F536 WeakPolarHBondContact CA-O 3.38Å; V340-F536 WeakPolarHBondContact CG2-O 3.4Å |
| 341 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | -171.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P447 F536 | G341-P447 WeakPolarHBondContact CA-O 3.19Å; G341-F536 PolarHBondContact N-O 2.91Å; G341-F536 PolarHBondContact O-N 2.73Å |
| 342 | L | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.7 | 169.5 | 173.7 | 61.1 | 0 | 0 | 0 | 110 | L345 P447 I489 W527 C530 I531 F534 | L342-L345 HydrophobicContact CD2-CB 4.11Å; L342-L345 HydrophobicContact CD2-CD1 4.2Å; L342-L345 HydrophobicContact CG-CB 4.44Å; L342-P447 HydrophobicContact CB-CG 4.24Å; L342-I489 HydrophobicContact CB-CD1 4.06Å; L342-I489 HydrophobicContact CB-CG1 4.38Å; L342-I489 HydrophobicContact CD2-CD1 3.57Å; L342-I489 HydrophobicContact CD2-CG1 3.95Å; L342-I489 HydrophobicContact CG-CD1 4.44Å; L342-W527 HydrophobicContact CD2-CE3 4.07Å; L342-W527 HydrophobicContact CD2-CZ3 4.09Å; L342-C530 HydrophobicContact CD1-CB 3.84Å; L342-C530 WeakPolarHBondContact CD1-O 3.5Å; L342-C530 HydrophobicContact CD2-CB 4.44Å; L342-I531 HydrophobicContact CB-CG1 4.17Å; L342-F534 HydrophobicContact CD1-CB 4.36Å |
| 343 | G | 95.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 140.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L345 F534 F536 | G343-L345 VanDerWaalsContact C-N 3.34Å; G343-L345 PolarHBondContact O-N 3.17Å; G343-F534 PolarHBondContact N-O 2.83Å; G343-F534 WeakPolarHBondContact O-CD1 3.45Å; G343-F534 WeakPolarHBondContact O-CG 3.26Å; G343-F536 VanDerWaalsContact CA-CB 3.41Å |
| 344 | G | 93.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 19 Ų | 19 | 7% | 0.072 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 29.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T346 Y434 | G344-T346 PolarHBondContact O-N 3.42Å; G344-T346 PolarHBondContact O-OG1 2.87Å; G344-Y434 WeakPolarHBondContact CA-OH 3.34Å; G344-Y434 PolarHBondContact O-OH 2.72Å |
| 345 | L | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | trans | -62.9 | 100.8 | 163.9 | -178.5 | 67 | 0 | 0 | 0 | 108.7 | L342 G343 F347 S444 I445 P447 I489 A492 L508 W527 | L342-L345 HydrophobicContact CD2-CB 4.11Å; L342-L345 HydrophobicContact CD2-CD1 4.2Å; L342-L345 HydrophobicContact CG-CB 4.44Å; G343-L345 VanDerWaalsContact C-N 3.34Å; G343-L345 PolarHBondContact O-N 3.17Å; L345-F347 HydrophobicContact CD1-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CE2 4.22Å; L345-F347 HydrophobicContact CD2-CZ 4.28Å; L345-F347 HydrophobicContact CG-CE2 3.86Å; L345-F347 HydrophobicContact CG-CZ 4.1Å; L345-S444 WeakPolarHBondContact O-CA 3.47Å; L345-S444 WeakPolarHBondContact O-CB 3.48Å; L345-I445 PolarHBondContact O-N 3.24Å; L345-P447 HydrophobicContact CD2-CG 4.27Å; L345-I489 HydrophobicContact CD1-CG2 4.16Å; L345-I489 HydrophobicContact CD2-CG1 4.48Å; L345-I489 HydrophobicContact CD2-CG2 4.2Å; L345-A492 HydrophobicContact CD2-CB 3.62Å; L345-L508 HydrophobicContact CD1-CD1 3.8Å; L345-W527 HydrophobicContact CD1-CH2 4.09Å; L345-W527 HydrophobicContact CD1-CZ3 4.17Å | ||
| 346 | T | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.5 | -164.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | G344 S410 L437 T442 H509 | G344-T346 PolarHBondContact O-N 3.42Å; G344-T346 PolarHBondContact O-OG1 2.87Å; T346-S410 WeakPolarHBondContact CG2-OG 3.42Å; T346-S410 PolarHBondContact OG1-OG 2.69Å; T346-L437 HydrophobicContact CG2-CD1 3.95Å; T346-T442 HydrophobicContact CG2-CG2 3.88Å; T346-H509 HydrophobicContact CG2-CB 4.3Å; T346-H509 WeakPolarHBondContact O-CB 3.42Å; T346-H509 PolarHBondContact O-N 3.2Å |
| 347 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.8 | 175.2 | -58.4 | -93.7 | 0 | 0 | 0 | 109.1 | L345 T442 W443 I493 S496 R507 L508 | L345-F347 HydrophobicContact CD1-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CE2 4.22Å; L345-F347 HydrophobicContact CD2-CZ 4.28Å; L345-F347 HydrophobicContact CG-CE2 3.86Å; L345-F347 HydrophobicContact CG-CZ 4.1Å; F347-T442 CarbonylContact O-C 3.57Å; F347-T442 WeakPolarHBondContact O-CA 3.49Å; F347-T442 WeakPolarHBondContact O-CB 3.28Å; F347-W443 HydrophobicContact CB-CD2 3.79Å; F347-W443 HydrophobicContact CB-CE3 4.36Å; F347-W443 HydrophobicContact CB-CG 4.22Å; F347-W443 HydrophobicContact CB-CH2 4.17Å; F347-W443 HydrophobicContact CB-CZ2 3.57Å; F347-W443 HydrophobicContact CB-CZ3 4.49Å; F347-W443 HydrophobicContact CD1-CH2 4.04Å; F347-W443 AromaticContact CD1-CZ2 3.91Å; F347-W443 HydrophobicContact CD1-CZ2 3.91Å; F347-W443 AromaticContact CD2-CD2 3.99Å; F347-W443 HydrophobicContact CD2-CD2 3.99Å; F347-W443 AromaticContact CD2-CE2 3.97Å; F347-W443 AromaticContact CD2-CE3 3.67Å; F347-W443 HydrophobicContact CD2-CE3 3.67Å; F347-W443 AromaticContact CD2-CH2 3.35Å; F347-W443 HydrophobicContact CD2-CH2 3.35Å; F347-W443 AromaticContact CD2-CZ2 3.7Å; F347-W443 HydrophobicContact CD2-CZ2 3.7Å; F347-W443 AromaticContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CE1-CH2 4.28Å; F347-W443 HydrophobicContact CE2-CE3 4.34Å; F347-W443 AromaticContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CZ2 4.35Å; F347-W443 AromaticContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CG-CD2 4.16Å; F347-W443 AromaticContact CG-CE2 3.71Å; F347-W443 HydrophobicContact CG-CE3 4.27Å; F347-W443 AromaticContact CG-CH2 3.58Å; F347-W443 HydrophobicContact CG-CH2 3.58Å; F347-W443 AromaticContact CG-CZ2 3.44Å; F347-W443 HydrophobicContact CG-CZ2 3.44Å; F347-W443 VanDerWaalsContact CG-CZ2 3.44Å; F347-W443 AromaticContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CZ-CH2 4.08Å; F347-W443 HydrophobicContact CZ-CZ3 4.45Å; F347-W443 PolarHBondContact N-O 3.31Å; F347-W443 PolarHBondContact O-N 3.45Å; F347-I493 HydrophobicContact CE1-CG1 4.37Å; F347-I493 HydrophobicContact CZ-CG1 4.33Å; F347-S496 VanDerWaalsContact CD1-CB 3.44Å; F347-S496 WeakPolarHBondContact CD1-OG 3.13Å; F347-S496 VanDerWaalsContact CE1-CB 3.45Å; F347-R507 CarbonylContact C-O 3.49Å; F347-R507 WeakPolarHBondContact CA-O 3.41Å; F347-L508 HydrophobicContact CD1-CB 4.25Å; F347-L508 HydrophobicContact CD1-CD1 4.28Å; F347-L508 HydrophobicContact CE1-CB 4.19Å; F347-L508 HydrophobicContact CE1-CD1 3.86Å; F347-L508 HydrophobicContact CZ-CD1 4.17Å |
| 348 | V | 98.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 9% | 0.085 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.9 | 176.9 | -178 | 0 | 0 | 0 | 0 | 108.6 | L437 E441 T442 S506 R507 | V348-L437 HydrophobicContact CG2-CD2 3.9Å; V348-E441 WeakPolarHBondContact CA-O 3.45Å; V348-T442 HydrophobicContact CG2-CG2 4.24Å; V348-S506 CarbonylContact O-C 3.58Å; V348-S506 VanDerWaalsContact O-CA 3.3Å; V348-S506 WeakPolarHBondContact O-CA 3.41Å; V348-R507 HydrophobicContact CB-CG 4.24Å; V348-R507 PolarHBondContact N-O 2.77Å; V348-R507 PolarHBondContact O-N 3.08Å |
| 349 | V | 98 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158.9 | 172.1 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | L353 T354 E441 W443 F504 | V349-L353 HydrophobicContact CG2-CD1 4.39Å; V349-T354 HydrophobicContact CG2-CG2 3.68Å; V349-E441 HydrophobicContact CG2-CB 3.71Å; V349-E441 PolarHBondContact N-O 2.97Å; V349-W443 VanDerWaalsContact CG1-CD1 3.49Å; V349-F504 WeakPolarHBondContact CA-O 3.43Å; V349-F504 HydrophobicContact CB-CB 4.26Å; V349-F504 WeakPolarHBondContact CB-O 3.17Å; V349-F504 HydrophobicContact CG1-CB 4.12Å |
| 350 | D | 96.7 | Very high | 92.6 | Very high | 107 Ų | 107 | 32.6 Ų | 32.6 | 57% | 0.572 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -94.7 | -8.1 | -177.5 | -59.4 | -40.2 | 0 | 0 | 0 | 112.8 | F504 R507 | D350-F504 PolarHBondContact N-O 3.39Å; D350-R507 VanDerWaalsContact CG-NH1 3.28Å; D350-R507 IonicContact OD1-CZ 3.83Å; D350-R507 VanDerWaalsContact OD1-CZ 3.3Å; D350-R507 IonicContact OD1-NH1 2.9Å; D350-R507 PolarHBondContact OD1-NH1 3.29Å; D350-R507 IonicContact OD1-NH2 3.84Å; D350-R507 PolarHBondContact OD1-NH2 3.43Å; D350-R507 IonicContact OD2-NH1 2.91Å; D350-R507 PolarHBondContact OD2-NH1 3.07Å; D350-R507 VanDerWaalsContact OD2-NH1 3.11Å |
| 351 | A | 91.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -98.6 | 139.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L353 E441 F504 | A351-L353 HydrophobicContact CB-CD2 3.69Å; A351-L353 HydrophobicContact CB-CG 3.8Å; A351-L353 PolarHBondContact O-N 3.19Å; A351-E441 WeakPolarHBondContact O-CB 3.43Å; A351-E441 WeakPolarHBondContact O-CG 3.13Å; A351-F504 HydrophobicContact CB-CD1 4.08Å |
| 352 | P | 92.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 62% | 0.623 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -79.9 | 56.4 | -176.7 | 34.9 | -37.8 | 0 | 0 | 0 | 113.1 | R359 | P352-R359 VanDerWaalsContact O-CZ 3.28Å; P352-R359 PolarHBondContact O-NE 3.07Å; P352-R359 PolarHBondContact O-NH2 2.73Å |
| 353 | L | 91.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | trans | -120.4 | 0.8 | -170.4 | 55.6 | 62.6 | 0 | 0 | 0 | 114.1 | L201 V349 A351 E441 F504 | L201-L353 HydrophobicContact CD1-CD1 3.38Å; L201-L353 HydrophobicContact CD2-CD1 3.68Å; L201-L353 HydrophobicContact CD2-CD2 4.42Å; L201-L353 HydrophobicContact CG-CD1 3.34Å; V349-L353 HydrophobicContact CG2-CD1 4.39Å; A351-L353 HydrophobicContact CB-CD2 3.69Å; A351-L353 HydrophobicContact CB-CG 3.8Å; A351-L353 PolarHBondContact O-N 3.19Å; L353-E441 PolarHBondContact N-OE2 2.76Å; L353-F504 HydrophobicContact CD2-CD1 3.51Å; L353-F504 HydrophobicContact CD2-CD2 4.44Å; L353-F504 HydrophobicContact CD2-CE1 3.37Å; L353-F504 HydrophobicContact CD2-CE2 4.31Å; L353-F504 HydrophobicContact CD2-CG 4.04Å; L353-F504 HydrophobicContact CD2-CZ 3.78Å | ||
| 354 | T | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -84 | 171.9 | -179.1 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | L201 V349 R359 F360 P408 E441 T442 | L201-T354 HydrophobicContact CD1-CG2 4.01Å; V349-T354 HydrophobicContact CG2-CG2 3.68Å; T354-R359 PolarHBondContact O-NH1 2.96Å; T354-F360 WeakPolarHBondContact O-CE2 3.46Å; T354-P408 CarbonylContact C-O 3.58Å; T354-P408 WeakPolarHBondContact CA-O 3.45Å; T354-P408 VanDerWaalsContact CB-O 3.28Å; T354-P408 WeakPolarHBondContact CB-O 3.23Å; T354-E441 WeakPolarHBondContact CB-OE2 3.38Å; T354-E441 HydrophobicContact CG2-CB 3.95Å; T354-E441 PolarHBondContact N-OE2 3.28Å; T354-E441 PolarHBondContact OG1-OE2 3.16Å; T354-T442 WeakPolarHBondContact CB-O 3.48Å; T354-T442 WeakPolarHBondContact CG2-O 3.34Å |
| 355 | V | 90.4 | Very high | 89 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | trans | -87 | 110.6 | 174.4 | 178 | 0 | 0 | 0 | 0 | 108.7 | T199 F360 F379 P408 S413 | T199-V355 HydrophobicContact CG2-CG2 3.98Å; V355-F360 HydrophobicContact CB-CD1 4.48Å; V355-F360 HydrophobicContact CB-CD2 4.48Å; V355-F360 HydrophobicContact CB-CE1 4.25Å; V355-F360 HydrophobicContact CB-CE2 4.26Å; V355-F360 HydrophobicContact CB-CZ 4.17Å; V355-F360 HydrophobicContact CG1-CB 4.46Å; V355-F360 HydrophobicContact CG1-CD1 3.87Å; V355-F360 HydrophobicContact CG1-CD2 4.13Å; V355-F360 HydrophobicContact CG1-CE1 4.13Å; V355-F360 HydrophobicContact CG1-CE2 4.38Å; V355-F360 HydrophobicContact CG1-CG 3.9Å; V355-F360 HydrophobicContact CG1-CZ 4.41Å; V355-F360 HydrophobicContact CG2-CD1 4.22Å; V355-F360 HydrophobicContact CG2-CE1 3.64Å; V355-F360 HydrophobicContact CG2-CE2 4.29Å; V355-F360 HydrophobicContact CG2-CZ 3.7Å; V355-F379 HydrophobicContact CB-CE1 4.2Å; V355-F379 HydrophobicContact CG1-CD1 4.25Å; V355-F379 HydrophobicContact CG1-CE1 3.95Å; V355-F379 HydrophobicContact CG2-CD1 4.15Å; V355-F379 HydrophobicContact CG2-CE1 3.79Å; V355-F379 HydrophobicContact CG2-CZ 4.16Å; V355-P408 HydrophobicContact CB-CG 4.42Å; V355-P408 HydrophobicContact CG2-CB 4.22Å; V355-P408 HydrophobicContact CG2-CG 3.6Å; V355-P408 PolarHBondContact N-O 2.86Å; V355-S413 VanDerWaalsContact O-CB 3.29Å; V355-S413 WeakPolarHBondContact O-CB 3.49Å; V355-S413 PolarHBondContact O-OG 2.98Å | ||
| 356 | T | 87.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | trans | -125.2 | 151.7 | 175.7 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | N358 R359 F360 S413 | T356-N358 VanDerWaalsContact C-N 3.3Å; T356-N358 PolarHBondContact O-N 3Å; T356-R359 PolarHBondContact O-N 3.29Å; T356-F360 WeakPolarHBondContact O-CB 3.5Å; T356-F360 WeakPolarHBondContact O-CD2 3.27Å; T356-F360 PolarHBondContact O-N 3.48Å; T356-S413 WeakPolarHBondContact CA-O 3.47Å | ||
| 357 | R | 82.1 | Confident | 87.5 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.5 | -48.2 | 179.6 | -178.5 | 176.6 | 179.1 | -153.7 | 12.9 | 112.9 | R359 F360 Q361 S413 E417 | R357-R359 PolarHBondContact O-N 2.78Å; R357-F360 PolarHBondContact O-N 2.97Å; R357-Q361 HydrophobicContact CG-CB 4.19Å; R357-Q361 HydrophobicContact CG-CG 4.36Å; R357-Q361 PolarHBondContact O-N 2.89Å; R357-S413 PolarHBondContact N-O 3.2Å; R357-S413 VanDerWaalsContact N-O 3.08Å; R357-E417 IonicContact CZ-OE1 3.5Å; R357-E417 IonicContact CZ-OE2 3.58Å; R357-E417 IonicContact NE-OE2 3.74Å; R357-E417 IonicContact NH1-OE1 2.91Å; R357-E417 PolarHBondContact NH1-OE1 2.82Å; R357-E417 IonicContact NH1-OE2 2.82Å; R357-E417 PolarHBondContact NH1-OE2 2.94Å; R357-E417 IonicContact NH2-OE1 3.9Å; R357-E417 IonicContact NH2-OE2 2.72Å; R357-E417 PolarHBondContact NH2-OE2 2.8Å; R357-E417 VanDerWaalsContact NH2-OE2 3.16Å |
| 358 | N | 81.9 | Confident | 86.8 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 77% | 0.765 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.3 | -24.1 | -174.3 | -66.8 | -9.9 | 0 | 0 | 0 | 113.8 | T356 T362 | T356-N358 VanDerWaalsContact C-N 3.3Å; T356-N358 PolarHBondContact O-N 3Å; N358-T362 WeakPolarHBondContact O-CG2 3.09Å |
| 359 | R | 83.7 | Confident | 86.2 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -91.5 | -23.7 | 178.5 | -178.3 | 179.7 | -45.6 | 112.4 | 1.1 | 112.4 | P352 T354 T356 R357 E441 | P352-R359 VanDerWaalsContact O-CZ 3.28Å; P352-R359 PolarHBondContact O-NE 3.07Å; P352-R359 PolarHBondContact O-NH2 2.73Å; T354-R359 PolarHBondContact O-NH1 2.96Å; T356-R359 PolarHBondContact O-N 3.29Å; R357-R359 PolarHBondContact O-N 2.78Å; R359-E441 IonicContact CZ-OE1 3.92Å; R359-E441 IonicContact CZ-OE2 3.99Å; R359-E441 IonicContact NH1-OE1 3.5Å; R359-E441 PolarHBondContact NH1-OE1 3.08Å; R359-E441 IonicContact NH1-OE2 3.36Å; R359-E441 PolarHBondContact NH1-OE2 3.21Å; R359-E441 IonicContact NH2-OE1 3.62Å; R359-E441 PolarHBondContact NH2-OE1 3.38Å; R359-E441 IonicContact NH2-OE2 2.66Å; R359-E441 PolarHBondContact NH2-OE2 3Å |
| 360 | F | 78.7 | Confident | 85.5 | Confident | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -118.8 | -25.3 | -164.8 | -71.8 | -109.3 | 0 | 0 | 0 | 115.1 | W197 T354 V355 T356 R357 V365 P376 | W197-F360 HydrophobicContact CH2-CD1 4.4Å; W197-F360 AromaticContact CH2-CE1 3.21Å; W197-F360 HydrophobicContact CH2-CE1 3.21Å; W197-F360 AromaticContact CH2-CZ 3.61Å; W197-F360 HydrophobicContact CH2-CZ 3.61Å; W197-F360 AromaticContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CZ 4.03Å; W197-F360 AromaticContact CZ3-CE1 3.77Å; W197-F360 HydrophobicContact CZ3-CE1 3.77Å; T354-F360 WeakPolarHBondContact O-CE2 3.46Å; V355-F360 HydrophobicContact CB-CD1 4.48Å; V355-F360 HydrophobicContact CB-CD2 4.48Å; V355-F360 HydrophobicContact CB-CE1 4.25Å; V355-F360 HydrophobicContact CB-CE2 4.26Å; V355-F360 HydrophobicContact CB-CZ 4.17Å; V355-F360 HydrophobicContact CG1-CB 4.46Å; V355-F360 HydrophobicContact CG1-CD1 3.87Å; V355-F360 HydrophobicContact CG1-CD2 4.13Å; V355-F360 HydrophobicContact CG1-CE1 4.13Å; V355-F360 HydrophobicContact CG1-CE2 4.38Å; V355-F360 HydrophobicContact CG1-CG 3.9Å; V355-F360 HydrophobicContact CG1-CZ 4.41Å; V355-F360 HydrophobicContact CG2-CD1 4.22Å; V355-F360 HydrophobicContact CG2-CE1 3.64Å; V355-F360 HydrophobicContact CG2-CE2 4.29Å; V355-F360 HydrophobicContact CG2-CZ 3.7Å; T356-F360 WeakPolarHBondContact O-CB 3.5Å; T356-F360 WeakPolarHBondContact O-CD2 3.27Å; T356-F360 PolarHBondContact O-N 3.48Å; R357-F360 PolarHBondContact O-N 2.97Å; F360-V365 WeakPolarHBondContact O-CG1 3.45Å; F360-P376 HydrophobicContact CD1-CB 3.3Å; F360-P376 HydrophobicContact CD1-CG 4.24Å; F360-P376 HydrophobicContact CE1-CB 3.61Å; F360-P376 HydrophobicContact CE1-CG 4.33Å; F360-P376 HydrophobicContact CG-CB 4.29Å |
| 361 | Q | 75.3 | Confident | 84.9 | Confident | 84 Ų | 84 | 66 Ų | 66 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -103.3 | 53.7 | 176.8 | -63.3 | -175.5 | -0.3 | 0 | 0 | 110.1 | Y91 R357 | Y91-Q361 PolarHBondContact OH-NE2 3.1Å; R357-Q361 HydrophobicContact CG-CB 4.19Å; R357-Q361 HydrophobicContact CG-CG 4.36Å; R357-Q361 PolarHBondContact O-N 2.89Å |
| 362 | T | 80.7 | Confident | 84.6 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -109.6 | 153.4 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | N358 V365 S366 | N358-T362 WeakPolarHBondContact O-CG2 3.09Å; T362-V365 PolarHBondContact O-N 3.13Å; T362-V365 VanDerWaalsContact O-N 3.13Å; T362-V365 WeakPolarHBondContact OG1-CG2 3.48Å; T362-S366 PolarHBondContact O-N 2.9Å; T362-S366 PolarHBondContact O-OG 2.68Å |
| 363 | I | 81.1 | Confident | 84.3 | Confident | 140 Ų | 140 | 71.8 Ų | 71.8 | 72% | 0.718 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -53.3 | -46.3 | 179.3 | -65.1 | 171 | 0 | 0 | 0 | 112.2 | V365 S366 M367 | I363-V365 PolarHBondContact O-N 2.82Å; I363-S366 PolarHBondContact O-N 3.46Å; I363-M367 HydrophobicContact CG2-CG 4.17Å; I363-M367 VanDerWaalsContact O-CG 3.31Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.42Å |
| 364 | P | 84 | Confident | 84.1 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 178.2 | -24.9 | 35.9 | 0 | 0 | 0 | 113.4 | S366 M367 E368 | P364-S366 VanDerWaalsContact C-N 3.33Å; P364-M367 PolarHBondContact O-N 3.26Å; P364-E368 PolarHBondContact O-N 3.47Å |
| 365 | V | 85.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 79.1 Ų | 79.1 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.9 | 169 | 0 | 0 | 0 | 0 | 110.8 | F360 T362 I363 E368 Y369 P376 M377 | F360-V365 WeakPolarHBondContact O-CG1 3.45Å; T362-V365 PolarHBondContact O-N 3.13Å; T362-V365 VanDerWaalsContact O-N 3.13Å; T362-V365 WeakPolarHBondContact OG1-CG2 3.48Å; I363-V365 PolarHBondContact O-N 2.82Å; V365-E368 PolarHBondContact O-N 2.75Å; V365-Y369 PolarHBondContact O-N 2.91Å; V365-P376 HydrophobicContact CG1-CB 4.02Å; V365-P376 HydrophobicContact CG1-CG 3.95Å; V365-P376 HydrophobicContact CG2-CG 4.19Å; V365-M377 HydrophobicContact CG1-CG 3.74Å |
| 366 | S | 83.6 | Confident | 83.8 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | T362 I363 P364 Y369 I370 | T362-S366 PolarHBondContact O-N 2.9Å; T362-S366 PolarHBondContact O-OG 2.68Å; I363-S366 PolarHBondContact O-N 3.46Å; P364-S366 VanDerWaalsContact C-N 3.33Å; S366-Y369 PolarHBondContact O-N 3.13Å; S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.15Å; S366-I370 PolarHBondContact O-N 3.2Å |
| 367 | M | 80.9 | Confident | 83.8 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.6 | -69.1 | -64.9 | -89.9 | 0 | 0 | 112.2 | I363 P364 Y369 I370 L371 | I363-M367 HydrophobicContact CG2-CG 4.17Å; I363-M367 VanDerWaalsContact O-CG 3.31Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.42Å; P364-M367 PolarHBondContact O-N 3.26Å; M367-Y369 VanDerWaalsContact C-N 3.32Å; M367-Y369 PolarHBondContact O-N 2.78Å; M367-I370 PolarHBondContact O-N 2.93Å; M367-L371 WeakPolarHBondContact O-CB 3.47Å; M367-L371 WeakPolarHBondContact O-CG 3.45Å; M367-L371 PolarHBondContact O-N 3.42Å |
| 368 | E | 84.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.9 | -173.7 | 65.8 | -166.7 | 0 | 0 | 111.5 | P364 V365 R372 | P364-E368 PolarHBondContact O-N 3.47Å; V365-E368 PolarHBondContact O-N 2.75Å; E368-R372 WeakPolarHBondContact O-CA 3.46Å; E368-R372 VanDerWaalsContact O-CB 3.32Å; E368-R372 WeakPolarHBondContact O-CB 3.26Å; E368-R372 PolarHBondContact O-N 3.45Å; E368-R372 WeakPolarHBondContact OE1-CD 3.4Å; E368-R372 IonicContact OE1-CZ 2.8Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 IonicContact OE1-NH1 2.93Å; E368-R372 PolarHBondContact OE1-NH1 3.1Å; E368-R372 IonicContact OE2-CZ 2.92Å; E368-R372 IonicContact OE2-NE 3.62Å; E368-R372 IonicContact OE2-NH1 2.86Å; E368-R372 PolarHBondContact OE2-NH1 2.9Å |
| 369 | Y | 86.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 9% | 0.09 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.8 | -48 | 175.2 | 178.2 | -94 | 0 | 0 | 0 | 112.4 | D84 V85 V365 S366 M367 L371 E373 R374 M377 T378 | D84-Y369 PolarHBondContact O-OH 2.75Å; V85-Y369 HydrophobicContact CB-CE1 4.46Å; V85-Y369 HydrophobicContact CG1-CE1 4.26Å; V85-Y369 HydrophobicContact CG1-CE2 4.46Å; V85-Y369 HydrophobicContact CG2-CE1 3.74Å; V365-Y369 PolarHBondContact O-N 2.91Å; S366-Y369 PolarHBondContact O-N 3.13Å; M367-Y369 VanDerWaalsContact C-N 3.32Å; M367-Y369 PolarHBondContact O-N 2.78Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.79Å; Y369-E373 WeakPolarHBondContact O-CA 3.39Å; Y369-E373 PolarHBondContact O-N 3.41Å; Y369-R374 WeakPolarHBondContact CA-O 3.3Å; Y369-R374 PolarHBondContact N-O 3.35Å; Y369-M377 HydrophobicContact CD1-CE 3.44Å; Y369-M377 VanDerWaalsContact CD1-CE 3.44Å; Y369-M377 HydrophobicContact CD2-CB 3.77Å; Y369-M377 HydrophobicContact CD2-CE 4.39Å; Y369-M377 HydrophobicContact CE1-CE 4.37Å; Y369-M377 HydrophobicContact CE2-CB 4.41Å; Y369-M377 HydrophobicContact CG-CB 3.9Å; Y369-M377 HydrophobicContact CG-CE 3.46Å; Y369-M377 VanDerWaalsContact CG-CE 3.46Å; Y369-T378 HydrophobicContact CD2-CG2 3.9Å; Y369-T378 HydrophobicContact CE2-CG2 4.03Å |
| 370 | I | 83.5 | Confident | 84.6 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | -176.7 | -70.5 | 165.5 | 0 | 0 | 0 | 110.9 | S366 M367 | S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.15Å; S366-I370 PolarHBondContact O-N 3.2Å; M367-I370 PolarHBondContact O-N 2.93Å |
| 371 | L | 83.9 | Confident | 85.1 | Confident | 127 Ų | 127 | 64.7 Ų | 64.7 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -88 | -25.9 | -174.4 | -63.2 | 175 | 0 | 0 | 0 | 113.5 | M367 Y369 | M367-L371 WeakPolarHBondContact O-CB 3.47Å; M367-L371 WeakPolarHBondContact O-CG 3.45Å; M367-L371 PolarHBondContact O-N 3.42Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.79Å |
| 372 | R | 84.1 | Confident | 86.1 | Confident | 155 Ų | 155 | 61.1 Ų | 61.1 | 59% | 0.585 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -135.2 | -0.3 | -168.8 | -60.6 | 171.8 | 172.8 | 173.1 | 2.1 | 115 | E368 R374 | E368-R372 WeakPolarHBondContact O-CA 3.46Å; E368-R372 VanDerWaalsContact O-CB 3.32Å; E368-R372 WeakPolarHBondContact O-CB 3.26Å; E368-R372 PolarHBondContact O-N 3.45Å; E368-R372 WeakPolarHBondContact OE1-CD 3.4Å; E368-R372 IonicContact OE1-CZ 2.8Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 IonicContact OE1-NH1 2.93Å; E368-R372 PolarHBondContact OE1-NH1 3.1Å; E368-R372 IonicContact OE2-CZ 2.92Å; E368-R372 IonicContact OE2-NE 3.62Å; E368-R372 IonicContact OE2-NH1 2.86Å; E368-R372 PolarHBondContact OE2-NH1 2.9Å; R372-R374 HydrophobicContact CB-CB 4.36Å; R372-R374 WeakPolarHBondContact O-CG 3.49Å; R372-R374 PolarHBondContact O-N 3.07Å |
| 373 | E | 86.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 55.2 | 34.8 | -179.7 | -56.2 | 171 | 147.7 | 0 | 0 | 112.5 | R236 Y369 T378 | R236-E373 WeakPolarHBondContact CB-OE2 3.42Å; R236-E373 VanDerWaalsContact O-CB 3.31Å; R236-E373 WeakPolarHBondContact O-CB 3.29Å; Y369-E373 WeakPolarHBondContact O-CA 3.39Å; Y369-E373 PolarHBondContact O-N 3.41Å; E373-T378 WeakPolarHBondContact O-CG2 3.32Å |
| 374 | R | 87.4 | Confident | 87.6 | Confident | 166 Ų | 166 | 52.9 Ų | 52.9 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | trans | -131.6 | 170.7 | -172.6 | -78.9 | 175.8 | -173.8 | -161.4 | 1.4 | 112 | Y369 R372 | Y369-R374 WeakPolarHBondContact CA-O 3.3Å; Y369-R374 PolarHBondContact N-O 3.35Å; R372-R374 HydrophobicContact CB-CB 4.36Å; R372-R374 WeakPolarHBondContact O-CG 3.49Å; R372-R374 PolarHBondContact O-N 3.07Å | ||
| 375 | G | 89.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 85.4 | -168.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W197 M377 T378 | W197-G375 WeakPolarHBondContact CB-O 3.36Å; G375-M377 PolarHBondContact O-N 3.22Å; G375-T378 WeakPolarHBondContact O-CB 3.12Å; G375-T378 WeakPolarHBondContact O-CG2 3.42Å; G375-T378 PolarHBondContact O-N 3.42Å; G375-T378 PolarHBondContact O-OG1 3.34Å |
| 376 | P | 89.9 | Confident | 88.9 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.4 | -20 | -165.5 | -20.6 | 26.7 | 0 | 0 | 0 | 116.1 | W197 F360 V365 T378 F379 | W197-P376 HydrophobicContact CD2-CB 4.12Å; W197-P376 HydrophobicContact CD2-CG 4.31Å; W197-P376 HydrophobicContact CE3-CB 4.38Å; W197-P376 HydrophobicContact CZ2-CB 4.16Å; W197-P376 HydrophobicContact CZ2-CG 4.09Å; F360-P376 HydrophobicContact CD1-CB 3.3Å; F360-P376 HydrophobicContact CD1-CG 4.24Å; F360-P376 HydrophobicContact CE1-CB 3.61Å; F360-P376 HydrophobicContact CE1-CG 4.33Å; F360-P376 HydrophobicContact CG-CB 4.29Å; V365-P376 HydrophobicContact CG1-CB 4.02Å; V365-P376 HydrophobicContact CG1-CG 3.95Å; V365-P376 HydrophobicContact CG2-CG 4.19Å; P376-T378 PolarHBondContact O-N 3.19Å; P376-F379 WeakPolarHBondContact O-CB 3.16Å; P376-F379 PolarHBondContact O-N 2.79Å |
| 377 | M | 87.7 | Confident | 89.6 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -74.4 | -12.3 | 177.2 | -59.8 | -148.6 | -55.9 | 0 | 0 | 113.9 | V85 P86 A87 V365 Y369 G375 F379 | V85-M377 HydrophobicContact CG1-CB 3.89Å; V85-M377 HydrophobicContact CG1-CE 4.33Å; V85-M377 HydrophobicContact CG1-SD 4.37Å; P86-M377 WeakPolarHBondContact CD-O 3.05Å; A87-M377 HydrophobicContact CB-CB 4.47Å; A87-M377 WeakPolarHBondContact CB-O 3.48Å; A87-M377 PolarHBondContact N-O 3Å; A87-M377 VanDerWaalsContact N-O 3.1Å; V365-M377 HydrophobicContact CG1-CG 3.74Å; Y369-M377 HydrophobicContact CD1-CE 3.44Å; Y369-M377 VanDerWaalsContact CD1-CE 3.44Å; Y369-M377 HydrophobicContact CD2-CB 3.77Å; Y369-M377 HydrophobicContact CD2-CE 4.39Å; Y369-M377 HydrophobicContact CE1-CE 4.37Å; Y369-M377 HydrophobicContact CE2-CB 4.41Å; Y369-M377 HydrophobicContact CG-CB 3.9Å; Y369-M377 HydrophobicContact CG-CE 3.46Å; Y369-M377 VanDerWaalsContact CG-CE 3.46Å; G375-M377 PolarHBondContact O-N 3.22Å; M377-F379 PolarHBondContact O-N 3.13Å |
| 378 | T | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -76.4 | -7.9 | 172.3 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | P86 P196 W197 Y369 E373 G375 P376 | P86-T378 WeakPolarHBondContact CB-O 3.26Å; P196-T378 HydrophobicContact CG-CG2 3.96Å; P196-T378 WeakPolarHBondContact CG-OG1 2.97Å; W197-T378 WeakPolarHBondContact CB-OG1 3.44Å; Y369-T378 HydrophobicContact CD2-CG2 3.9Å; Y369-T378 HydrophobicContact CE2-CG2 4.03Å; E373-T378 WeakPolarHBondContact O-CG2 3.32Å; G375-T378 WeakPolarHBondContact O-CB 3.12Å; G375-T378 WeakPolarHBondContact O-CG2 3.42Å; G375-T378 PolarHBondContact O-N 3.42Å; G375-T378 PolarHBondContact O-OG1 3.34Å; P376-T378 PolarHBondContact O-N 3.19Å |
| 379 | F | 86.5 | Confident | 91 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | trans | -67.5 | 133.3 | 177.3 | 169.7 | -122.7 | 0 | 0 | 0 | 111.9 | P86 A87 W197 V355 P376 M377 G381 E383 P408 | P86-F379 CarbonylContact C-O 3.54Å; P86-F379 WeakPolarHBondContact CB-O 3.34Å; A87-F379 WeakPolarHBondContact CA-O 3.01Å; A87-F379 WeakPolarHBondContact CB-O 3.41Å; A87-F379 PolarHBondContact N-O 3.36Å; W197-F379 HydrophobicContact CE3-CB 4.03Å; W197-F379 HydrophobicContact CZ3-CB 4.27Å; W197-F379 HydrophobicContact CZ3-CG 4.42Å; V355-F379 HydrophobicContact CB-CE1 4.2Å; V355-F379 HydrophobicContact CG1-CD1 4.25Å; V355-F379 HydrophobicContact CG1-CE1 3.95Å; V355-F379 HydrophobicContact CG2-CD1 4.15Å; V355-F379 HydrophobicContact CG2-CE1 3.79Å; V355-F379 HydrophobicContact CG2-CZ 4.16Å; P376-F379 WeakPolarHBondContact O-CB 3.16Å; P376-F379 PolarHBondContact O-N 2.79Å; M377-F379 PolarHBondContact O-N 3.13Å; F379-G381 VanDerWaalsContact CE2-C 3.46Å; F379-G381 VanDerWaalsContact CE2-N 3.31Å; F379-G381 WeakPolarHBondContact CZ-O 3.28Å; F379-E383 HydrophobicContact CD2-CG 3.93Å; F379-E383 HydrophobicContact CE2-CG 3.39Å; F379-E383 HydrophobicContact CZ-CG 4.37Å; F379-P408 HydrophobicContact CE2-CG 3.99Å; F379-P408 HydrophobicContact CZ-CG 3.67Å | ||
| 380 | S | 85.9 | Confident | 91.5 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | trans | -95.3 | -3.9 | -174.4 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | A136 M137 V382 | A136-S380 WeakPolarHBondContact O-CB 3.36Å; M137-S380 VanDerWaalsContact CE-CB 3.48Å; S380-V382 PolarHBondContact OG-O 3.09Å | ||
| 381 | G | 90 | Very high | 92.2 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 101.9 | -38.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F379 C407 | F379-G381 VanDerWaalsContact CE2-C 3.46Å; F379-G381 VanDerWaalsContact CE2-N 3.31Å; F379-G381 WeakPolarHBondContact CZ-O 3.28Å; G381-C407 PolarHBondContact O-SG 2.81Å; G381-C407 VanDerWaalsContact O-SG 3.38Å |
| 382 | V | 96 | Very high | 92.8 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | trans | -113.7 | 107.7 | -177.5 | -177 | 0 | 0 | 0 | 0 | 109.2 | A136 V138 T230 S380 G384 V385 H405 F406 | A136-V382 HydrophobicContact CB-CG2 4.32Å; V138-V382 HydrophobicContact CG2-CB 3.95Å; V138-V382 HydrophobicContact CG2-CG1 4.2Å; V138-V382 HydrophobicContact CG2-CG2 4.14Å; T230-V382 WeakPolarHBondContact CB-O 3.33Å; T230-V382 PolarHBondContact OG1-O 2.92Å; T230-V382 VanDerWaalsContact OG1-O 3.12Å; S380-V382 PolarHBondContact OG-O 3.09Å; V382-G384 WeakPolarHBondContact CG1-O 3.42Å; V382-V385 HydrophobicContact CG1-CG1 3.96Å; V382-H405 HydrophobicContact CG1-CB 3.8Å; V382-H405 HydrophobicContact CG2-CB 4.05Å; V382-F406 WeakPolarHBondContact CA-O 3.42Å | ||
| 383 | E | 95.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | trans | -86 | -32.1 | -177.8 | -65.3 | -164 | 128.1 | 0 | 0 | 112.8 | R198 T199 T230 F379 F406 P408 | R198-E383 WeakPolarHBondContact CA-OE1 3.3Å; T199-E383 WeakPolarHBondContact CB-OE2 3.46Å; T199-E383 PolarHBondContact N-OE1 3.25Å; T199-E383 PolarHBondContact OG1-OE2 3.48Å; T230-E383 PolarHBondContact N-O 2.72Å; T230-E383 VanDerWaalsContact OG1-C 3.28Å; T230-E383 PolarHBondContact OG1-O 3.41Å; F379-E383 HydrophobicContact CD2-CG 3.93Å; F379-E383 HydrophobicContact CE2-CG 3.39Å; F379-E383 HydrophobicContact CZ-CG 4.37Å; E383-F406 HydrophobicContact CB-CD1 4.12Å; E383-F406 HydrophobicContact CB-CE1 4.31Å; E383-F406 PolarHBondContact N-O 3.43Å; E383-P408 HydrophobicContact CG-CG 3.84Å; E383-P408 WeakPolarHBondContact OE2-CG 3.38Å | ||
| 384 | G | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M228 T230 V382 F406 | M228-G384 VanDerWaalsContact O-CA 3.3Å; M228-G384 WeakPolarHBondContact O-CA 3.43Å; T230-G384 PolarHBondContact OG1-N 2.93Å; V382-G384 WeakPolarHBondContact CG1-O 3.42Å; G384-F406 PolarHBondContact O-N 2.8Å |
| 385 | V | 98.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.8 | 167.8 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | V138 M228 V382 F387 F404 | V138-V385 HydrophobicContact CG1-CG1 4.24Å; M228-V385 HydrophobicContact CG-CG2 3.52Å; M228-V385 PolarHBondContact N-O 3.38Å; M228-V385 PolarHBondContact O-N 3.34Å; M228-V385 HydrophobicContact SD-CG2 4.24Å; V382-V385 HydrophobicContact CG1-CG1 3.96Å; V385-F387 HydrophobicContact CB-CE2 4.36Å; V385-F387 HydrophobicContact CG2-CE2 4.15Å; V385-F404 VanDerWaalsContact CA-O 3.22Å; V385-F404 WeakPolarHBondContact CA-O 3.31Å |
| 386 | A | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | F205 G226 F227 L388 Q403 F404 | F205-A386 HydrophobicContact CE1-CB 4.29Å; F205-A386 HydrophobicContact CZ-CB 3.73Å; G226-A386 CarbonylContact O-C 3.59Å; G226-A386 WeakPolarHBondContact O-CA 3.22Å; F227-A386 HydrophobicContact CB-CB 4.49Å; F227-A386 HydrophobicContact CD1-CB 3.65Å; F227-A386 HydrophobicContact CD2-CB 3.87Å; F227-A386 HydrophobicContact CE1-CB 3.69Å; F227-A386 HydrophobicContact CE2-CB 3.92Å; F227-A386 HydrophobicContact CG-CB 3.73Å; F227-A386 HydrophobicContact CZ-CB 3.82Å; A386-L388 HydrophobicContact CB-CD1 4.47Å; A386-L388 HydrophobicContact CB-CD2 4.27Å; A386-L388 HydrophobicContact CB-CG 4.28Å; A386-Q403 CarbonylContact O-C 3.46Å; A386-Q403 VanDerWaalsContact O-CA 3.23Å; A386-Q403 WeakPolarHBondContact O-CA 3.33Å; A386-F404 HydrophobicContact CB-CB 4.11Å; A386-F404 HydrophobicContact CB-CD2 4.28Å; A386-F404 HydrophobicContact CB-CG 4.49Å; A386-F404 PolarHBondContact N-O 3.4Å; A386-F404 VanDerWaalsContact N-O 3.14Å; A386-F404 PolarHBondContact O-N 3.31Å |
| 387 | F | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.2 | 175.1 | -71.9 | -96 | 0 | 0 | 0 | 108.1 | V140 I219 Q224 T225 G226 V385 P400 V402 Q403 L450 N582 | V140-F387 HydrophobicContact CG1-CZ 3.79Å; V140-F387 HydrophobicContact CG2-CE2 4.41Å; V140-F387 HydrophobicContact CG2-CZ 4.13Å; I219-F387 HydrophobicContact CB-CD2 4.14Å; I219-F387 HydrophobicContact CB-CE2 4.24Å; I219-F387 HydrophobicContact CD1-CE2 3.8Å; I219-F387 HydrophobicContact CD1-CZ 4.27Å; I219-F387 HydrophobicContact CG1-CD2 4.43Å; I219-F387 HydrophobicContact CG1-CE2 4.03Å; I219-F387 HydrophobicContact CG2-CD2 3.9Å; I219-F387 HydrophobicContact CG2-CE2 4.33Å; Q224-F387 HydrophobicContact CG-CB 4.09Å; Q224-F387 HydrophobicContact CG-CD1 3.93Å; Q224-F387 HydrophobicContact CG-CD2 4.2Å; Q224-F387 HydrophobicContact CG-CE1 4.45Å; Q224-F387 HydrophobicContact CG-CG 3.81Å; T225-F387 CarbonylContact C-O 3.56Å; T225-F387 WeakPolarHBondContact CA-O 3.33Å; T225-F387 WeakPolarHBondContact CG2-O 3.49Å; G226-F387 PolarHBondContact N-O 3.32Å; G226-F387 PolarHBondContact O-N 2.56Å; V385-F387 HydrophobicContact CB-CE2 4.36Å; V385-F387 HydrophobicContact CG2-CE2 4.15Å; F387-P400 HydrophobicContact CB-CB 3.89Å; F387-P400 HydrophobicContact CB-CG 3.55Å; F387-P400 HydrophobicContact CD1-CG 4.14Å; F387-P400 HydrophobicContact CG-CG 4.28Å; F387-V402 WeakPolarHBondContact CA-O 3.34Å; F387-Q403 HydrophobicContact CD1-CB 4.18Å; F387-Q403 HydrophobicContact CD1-CG 4.4Å; F387-Q403 HydrophobicContact CE1-CB 3.95Å; F387-Q403 HydrophobicContact CE1-CG 3.91Å; F387-Q403 HydrophobicContact CE2-CG 4.28Å; F387-Q403 HydrophobicContact CZ-CB 4.38Å; F387-Q403 HydrophobicContact CZ-CG 3.82Å; F387-Q403 VanDerWaalsContact CZ-NE2 3.28Å; F387-L450 HydrophobicContact CD1-CD1 3.65Å; F387-L450 HydrophobicContact CE1-CD1 3.9Å; F387-L450 HydrophobicContact CE1-CD2 4.45Å; F387-N582 WeakPolarHBondContact CE1-O 3.39Å |
| 388 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.1 | -164.9 | -52.2 | 172.1 | 0 | 0 | 0 | 110.4 | Y214 F227 A386 P400 D401 V402 F404 L491 | Y214-L388 HydrophobicContact CD1-CD2 3.79Å; Y214-L388 HydrophobicContact CD2-CD2 4.11Å; Y214-L388 HydrophobicContact CE1-CD2 3.5Å; Y214-L388 HydrophobicContact CE2-CD2 3.83Å; Y214-L388 HydrophobicContact CG-CD2 4.08Å; F227-L388 HydrophobicContact CD2-CD2 4.22Å; F227-L388 HydrophobicContact CE2-CD2 3.47Å; F227-L388 VanDerWaalsContact CE2-CD2 3.47Å; F227-L388 HydrophobicContact CZ-CD1 4.45Å; F227-L388 HydrophobicContact CZ-CD2 4.08Å; A386-L388 HydrophobicContact CB-CD1 4.47Å; A386-L388 HydrophobicContact CB-CD2 4.27Å; A386-L388 HydrophobicContact CB-CG 4.28Å; L388-P400 VanDerWaalsContact O-CB 3.31Å; L388-P400 WeakPolarHBondContact O-CB 3.36Å; L388-D401 PolarHBondContact O-N 3.34Å; L388-V402 PolarHBondContact N-O 2.7Å; L388-V402 PolarHBondContact O-N 3.29Å; L388-F404 HydrophobicContact CD1-CD1 4.4Å; L388-F404 HydrophobicContact CD1-CD2 3.64Å; L388-F404 HydrophobicContact CD1-CE1 4.1Å; L388-F404 HydrophobicContact CD1-CE2 3.27Å; L388-F404 HydrophobicContact CD1-CG 4.2Å; L388-F404 HydrophobicContact CD1-CZ 3.53Å; L388-L491 HydrophobicContact CB-CD1 4.19Å; L388-L491 HydrophobicContact CD1-CB 4.38Å; L388-L491 HydrophobicContact CD1-CD1 4.28Å |
| 389 | N | 96.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | trans | -91.6 | 126.7 | 170.9 | -61.6 | -26.7 | 0 | 0 | 0 | 108.9 | Q393 P400 D401 | N389-Q393 HydrophobicContact CB-CB 4.12Å; N389-Q393 HydrophobicContact CB-CG 4.02Å; N389-Q393 WeakPolarHBondContact OD1-CG 3.17Å; N389-P400 WeakPolarHBondContact OD1-CA 3.32Å; N389-D401 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 390 | T | 97.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | trans | -80.3 | 175.7 | 159.8 | 79.6 | 0 | 0 | 0 | 0 | 110.4 | Y392 Q393 D401 V402 V484 E487 | T390-Y392 PolarHBondContact O-N 3Å; T390-Y392 VanDerWaalsContact O-N 3.07Å; T390-Y392 WeakPolarHBondContact OG1-CD2 3.08Å; T390-Y392 PolarHBondContact OG1-N 3.16Å; T390-Y392 VanDerWaalsContact OG1-N 3.17Å; T390-Q393 PolarHBondContact O-N 2.79Å; T390-Q393 VanDerWaalsContact O-N 3.1Å; T390-D401 PolarHBondContact N-OD1 2.89Å; T390-D401 PolarHBondContact OG1-OD2 3.08Å; T390-V402 HydrophobicContact CG2-CB 4.37Å; T390-V402 HydrophobicContact CG2-CG2 3.45Å; T390-V402 VanDerWaalsContact CG2-CG2 3.45Å; T390-V484 HydrophobicContact CG2-CG1 3.95Å; T390-E487 HydrophobicContact CG2-CB 3.81Å | ||
| 391 | K | 96.4 | Very high | 96 | Very high | 135 Ų | 135 | 37.7 Ų | 37.7 | 59% | 0.587 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -12.2 | 173.7 | 73.6 | -168.8 | -176.2 | -162.3 | 0 | 114.3 | E487 | K391-E487 HydrophobicContact CD-CG 4.17Å; K391-E487 HydrophobicContact CG-CG 4.31Å; K391-E487 IonicContact NZ-OE1 3.79Å; K391-E487 PolarHBondContact NZ-OE1 2.92Å |
| 392 | Y | 96.8 | Very high | 96.4 | Very high | 112 Ų | 112 | 36.6 Ų | 36.6 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.1 | 178.2 | -58.2 | -75.1 | 0 | 0 | 0 | 113 | T390 D483 V484 E487 | T390-Y392 PolarHBondContact O-N 3Å; T390-Y392 VanDerWaalsContact O-N 3.07Å; T390-Y392 WeakPolarHBondContact OG1-CD2 3.08Å; T390-Y392 PolarHBondContact OG1-N 3.16Å; T390-Y392 VanDerWaalsContact OG1-N 3.17Å; Y392-D483 HydrophobicContact CE2-CB 3.95Å; Y392-V484 HydrophobicContact CD2-CB 4.47Å; Y392-V484 HydrophobicContact CD2-CG2 3.69Å; Y392-V484 HydrophobicContact CE2-CG2 4.44Å; Y392-V484 HydrophobicContact CG-CG2 4.11Å; Y392-E487 HydrophobicContact CD2-CG 4.44Å; Y392-E487 HydrophobicContact CE2-CG 3.87Å |
| 393 | Q | 96.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -102.7 | 131.4 | 176 | 170.6 | 53.3 | 26.9 | 0 | 0 | 110.5 | N389 T390 P395 V397 W399 D401 | N389-Q393 HydrophobicContact CB-CB 4.12Å; N389-Q393 HydrophobicContact CB-CG 4.02Å; N389-Q393 WeakPolarHBondContact OD1-CG 3.17Å; T390-Q393 PolarHBondContact O-N 2.79Å; T390-Q393 VanDerWaalsContact O-N 3.1Å; Q393-P395 VanDerWaalsContact O-CD 3.3Å; Q393-P395 WeakPolarHBondContact O-CD 3.25Å; Q393-P395 VanDerWaalsContact O-N 3.17Å; Q393-V397 PolarHBondContact NE2-O 2.93Å; Q393-V397 VanDerWaalsContact NE2-O 3.17Å; Q393-W399 VanDerWaalsContact CG-O 3.28Å; Q393-W399 WeakPolarHBondContact CG-O 3.39Å; Q393-W399 PolarHBondContact NE2-O 2.76Å; Q393-W399 PolarHBondContact OE1-O 2.72Å; Q393-D401 HydrophobicContact CB-CB 4.36Å |
| 394 | D | 94.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | trans | -60.3 | 115.1 | 172 | -178.1 | -11.7 | 0 | 0 | 0 | 109.9 | S396 V397 | D394-S396 PolarHBondContact O-N 3.49Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.4Å; D394-S396 PolarHBondContact OD1-N 2.61Å; D394-S396 PolarHBondContact OD1-OG 2.88Å; D394-S396 PolarHBondContact OD2-OG 2.83Å; D394-S396 VanDerWaalsContact OD2-OG 3.08Å; D394-V397 HydrophobicContact CB-CG2 4.39Å; D394-V397 PolarHBondContact O-N 3.24Å; D394-V397 VanDerWaalsContact O-N 3.17Å | ||
| 395 | P | 89.6 | Confident | 96.7 | Very high | 110 Ų | 110 | 36 Ų | 36 | 71% | 0.714 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -14.4 | -176.8 | 30 | -36.2 | 0 | 0 | 0 | 113.3 | Q393 V397 | Q393-P395 VanDerWaalsContact O-CD 3.3Å; Q393-P395 WeakPolarHBondContact O-CD 3.25Å; Q393-P395 VanDerWaalsContact O-N 3.17Å; P395-V397 VanDerWaalsContact C-N 3.25Å |
| 396 | S | 93 | Very high | 96.7 | Very high | 100 Ų | 100 | 35.9 Ų | 35.9 | 70% | 0.699 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15 | 175.1 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | D394 | D394-S396 PolarHBondContact O-N 3.49Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.4Å; D394-S396 PolarHBondContact OD1-N 2.61Å; D394-S396 PolarHBondContact OD1-OG 2.88Å; D394-S396 PolarHBondContact OD2-OG 2.83Å; D394-S396 VanDerWaalsContact OD2-OG 3.08Å |
| 397 | V | 95 | Very high | 96.6 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 32% | 0.315 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -110 | 120.4 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | Q393 D394 P395 W399 | Q393-V397 PolarHBondContact NE2-O 2.93Å; Q393-V397 VanDerWaalsContact NE2-O 3.17Å; D394-V397 HydrophobicContact CB-CG2 4.39Å; D394-V397 PolarHBondContact O-N 3.24Å; D394-V397 VanDerWaalsContact O-N 3.17Å; P395-V397 VanDerWaalsContact C-N 3.25Å; V397-W399 HydrophobicContact CG1-CB 4.01Å; V397-W399 PolarHBondContact O-N 3.13Å |
| 398 | D | 96 | Very high | 96.5 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | trans | -71.3 | 73.1 | 174.5 | -179.1 | 46.6 | 0 | 0 | 0 | 111.2 | S143 N145 Q223 Q224 T225 | S143-D398 PolarHBondContact OG-O 3.49Å; N145-D398 PolarHBondContact ND2-O 2.83Å; Q223-D398 WeakPolarHBondContact CA-OD2 3.2Å; Q224-D398 PolarHBondContact N-OD1 3.3Å; Q224-D398 PolarHBondContact N-OD2 3.05Å; T225-D398 WeakPolarHBondContact CB-OD1 3.47Å; T225-D398 PolarHBondContact N-OD1 2.94Å; T225-D398 PolarHBondContact OG1-OD1 2.79Å | ||
| 399 | W | 96.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | trans | -141.9 | 71.8 | 178.9 | -155.1 | 4.7 | 0 | 0 | 0 | 109.8 | N145 D146 H149 Q393 V397 R451 N582 | N145-W399 HydrophobicContact CB-CB 4.28Å; N145-W399 HydrophobicContact CB-CD2 3.36Å; N145-W399 HydrophobicContact CB-CE3 3.79Å; N145-W399 HydrophobicContact CB-CG 3.6Å; N145-W399 HydrophobicContact CB-CH2 4.43Å; N145-W399 HydrophobicContact CB-CZ2 4.08Å; N145-W399 HydrophobicContact CB-CZ3 4.3Å; D146-W399 PolarHBondContact OD1-NE1 2.93Å; H149-W399 HydrophobicContact CB-CH2 4.09Å; H149-W399 HydrophobicContact CB-CZ2 4.42Å; Q393-W399 VanDerWaalsContact CG-O 3.28Å; Q393-W399 WeakPolarHBondContact CG-O 3.39Å; Q393-W399 PolarHBondContact NE2-O 2.76Å; Q393-W399 PolarHBondContact OE1-O 2.72Å; V397-W399 HydrophobicContact CG1-CB 4.01Å; V397-W399 PolarHBondContact O-N 3.13Å; W399-R451 PolarHBondContact O-NH1 3.19Å; W399-N582 PolarHBondContact NE1-ND2 2.99Å | ||
| 400 | P | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -58.9 | 142.2 | -176.6 | 22.1 | -30.2 | 0 | 0 | 0 | 112 | Q224 F387 L388 N389 N582 | Q224-P400 HydrophobicContact CB-CG 4.29Å; Q224-P400 HydrophobicContact CG-CG 4.12Å; F387-P400 HydrophobicContact CB-CB 3.89Å; F387-P400 HydrophobicContact CB-CG 3.55Å; F387-P400 HydrophobicContact CD1-CG 4.14Å; F387-P400 HydrophobicContact CG-CG 4.28Å; L388-P400 VanDerWaalsContact O-CB 3.31Å; L388-P400 WeakPolarHBondContact O-CB 3.36Å; N389-P400 WeakPolarHBondContact OD1-CA 3.32Å; P400-N582 PolarHBondContact O-OD1 2.77Å | ||
| 401 | D | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -103.7 | -10 | -176.6 | 56.9 | -16.2 | 0 | 0 | 0 | 113.6 | L388 N389 T390 Q393 L450 V484 | L388-D401 PolarHBondContact O-N 3.34Å; N389-D401 WeakPolarHBondContact CA-OD1 3.45Å; T390-D401 PolarHBondContact N-OD1 2.89Å; T390-D401 PolarHBondContact OG1-OD2 3.08Å; Q393-D401 HydrophobicContact CB-CB 4.36Å; D401-L450 PolarHBondContact O-N 3.17Å; D401-V484 HydrophobicContact CB-CG1 4.36Å |
| 402 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.6 | 175.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | F387 L388 T390 F404 L448 V484 | F387-V402 WeakPolarHBondContact CA-O 3.34Å; L388-V402 PolarHBondContact N-O 2.7Å; L388-V402 PolarHBondContact O-N 3.29Å; T390-V402 HydrophobicContact CG2-CB 4.37Å; T390-V402 HydrophobicContact CG2-CG2 3.45Å; T390-V402 VanDerWaalsContact CG2-CG2 3.45Å; V402-F404 HydrophobicContact CG1-CD1 3.83Å; V402-F404 HydrophobicContact CG1-CE1 3.57Å; V402-L448 WeakPolarHBondContact CA-O 3.32Å; V402-V484 HydrophobicContact CG2-CG1 3.71Å |
| 403 | Q | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.4 | 166.8 | 176.6 | -177.7 | 27.2 | 0 | 0 | 110.2 | A386 F387 H405 L448 L450 N584 | A386-Q403 CarbonylContact O-C 3.46Å; A386-Q403 VanDerWaalsContact O-CA 3.23Å; A386-Q403 WeakPolarHBondContact O-CA 3.33Å; F387-Q403 HydrophobicContact CD1-CB 4.18Å; F387-Q403 HydrophobicContact CD1-CG 4.4Å; F387-Q403 HydrophobicContact CE1-CB 3.95Å; F387-Q403 HydrophobicContact CE1-CG 3.91Å; F387-Q403 HydrophobicContact CE2-CG 4.28Å; F387-Q403 HydrophobicContact CZ-CB 4.38Å; F387-Q403 HydrophobicContact CZ-CG 3.82Å; F387-Q403 VanDerWaalsContact CZ-NE2 3.28Å; Q403-H405 VanDerWaalsContact CD-NE2 3.32Å; Q403-H405 PolarHBondContact NE2-CD2 2.9Å; Q403-H405 PolarHBondContact NE2-NE2 3.27Å; Q403-H405 PolarHBondContact OE1-NE2 3.11Å; Q403-L448 HydrophobicContact CB-CB 4.28Å; Q403-L448 HydrophobicContact CB-CD1 4.4Å; Q403-L448 HydrophobicContact CG-CD1 4.22Å; Q403-L448 PolarHBondContact N-O 3.17Å; Q403-L448 WeakPolarHBondContact O-CB 3.44Å; Q403-L448 PolarHBondContact O-N 3.34Å; Q403-L450 HydrophobicContact CB-CD1 3.85Å; Q403-L450 HydrophobicContact CB-CD2 3.55Å; Q403-L450 HydrophobicContact CB-CG 3.82Å; Q403-N584 PolarHBondContact NE2-OD1 2.64Å |
| 404 | F | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.5 | 165.1 | -68.2 | -9.5 | 0 | 0 | 0 | 110.1 | F205 V385 A386 L388 V402 I445 L446 P447 G488 L491 A492 V495 | F205-F404 HydrophobicContact CZ-CB 4.37Å; V385-F404 VanDerWaalsContact CA-O 3.22Å; V385-F404 WeakPolarHBondContact CA-O 3.31Å; A386-F404 HydrophobicContact CB-CB 4.11Å; A386-F404 HydrophobicContact CB-CD2 4.28Å; A386-F404 HydrophobicContact CB-CG 4.49Å; A386-F404 PolarHBondContact N-O 3.4Å; A386-F404 VanDerWaalsContact N-O 3.14Å; A386-F404 PolarHBondContact O-N 3.31Å; L388-F404 HydrophobicContact CD1-CD1 4.4Å; L388-F404 HydrophobicContact CD1-CD2 3.64Å; L388-F404 HydrophobicContact CD1-CE1 4.1Å; L388-F404 HydrophobicContact CD1-CE2 3.27Å; L388-F404 HydrophobicContact CD1-CG 4.2Å; L388-F404 HydrophobicContact CD1-CZ 3.53Å; V402-F404 HydrophobicContact CG1-CD1 3.83Å; V402-F404 HydrophobicContact CG1-CE1 3.57Å; F404-I445 HydrophobicContact CB-CG2 3.85Å; F404-I445 HydrophobicContact CD1-CG2 3.6Å; F404-I445 HydrophobicContact CD2-CD1 4.01Å; F404-I445 HydrophobicContact CD2-CG2 3.87Å; F404-I445 HydrophobicContact CE1-CG2 4.04Å; F404-I445 HydrophobicContact CE2-CD1 4.3Å; F404-I445 HydrophobicContact CE2-CG2 4.28Å; F404-I445 HydrophobicContact CG-CG2 3.5Å; F404-I445 HydrophobicContact CZ-CG2 4.35Å; F404-L446 WeakPolarHBondContact CA-O 3.32Å; F404-P447 HydrophobicContact CD1-CB 4.21Å; F404-P447 HydrophobicContact CE1-CB 3.9Å; F404-G488 WeakPolarHBondContact CE1-O 3.49Å; F404-G488 VanDerWaalsContact CZ-O 3.25Å; F404-G488 WeakPolarHBondContact CZ-O 3.27Å; F404-L491 HydrophobicContact CE2-CB 4.3Å; F404-L491 HydrophobicContact CZ-CB 3.66Å; F404-A492 HydrophobicContact CE1-CB 4.21Å; F404-A492 HydrophobicContact CE2-CB 4.07Å; F404-A492 HydrophobicContact CZ-CB 3.71Å; F404-A492 VanDerWaalsContact CZ-N 3.33Å; F404-V495 HydrophobicContact CE2-CG2 4.05Å |
| 405 | H | 98.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.1 | 154.3 | -69.4 | 179.9 | 0 | 0 | 0 | 107.8 | V382 Q403 I445 L446 L448 N584 | V382-H405 HydrophobicContact CG1-CB 3.8Å; V382-H405 HydrophobicContact CG2-CB 4.05Å; Q403-H405 VanDerWaalsContact CD-NE2 3.32Å; Q403-H405 PolarHBondContact NE2-CD2 2.9Å; Q403-H405 PolarHBondContact NE2-NE2 3.27Å; Q403-H405 PolarHBondContact OE1-NE2 3.11Å; H405-I445 WeakPolarHBondContact O-CA 3.28Å; H405-L446 HydrophobicContact CB-CB 4.23Å; H405-L446 HydrophobicContact CB-CD1 4.3Å; H405-L446 PolarHBondContact N-O 2.72Å; H405-L446 VanDerWaalsContact N-O 3.14Å; H405-L446 PolarHBondContact O-N 3.42Å; H405-L448 HydrophobicContact CB-CD1 4.4Å; H405-N584 PolarHBondContact CE1-ND2 2.78Å; H405-N584 PolarHBondContact NE2-OD1 3.47Å |
| 406 | F | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.9 | 174.8 | 170.8 | -98.6 | 0 | 0 | 0 | 110.1 | L201 F205 V382 E383 G384 P408 W443 I445 F501 | L201-F406 HydrophobicContact CB-CE1 3.97Å; L201-F406 HydrophobicContact CB-CZ 3.53Å; L201-F406 HydrophobicContact CD1-CZ 4.23Å; L201-F406 HydrophobicContact CG-CZ 4.48Å; F205-F406 HydrophobicContact CB-CD1 4.01Å; F205-F406 HydrophobicContact CB-CD2 4.35Å; F205-F406 HydrophobicContact CB-CE1 4.31Å; F205-F406 HydrophobicContact CB-CG 4.07Å; F205-F406 HydrophobicContact CD1-CB 4.05Å; F205-F406 HydrophobicContact CD1-CD1 4.46Å; F205-F406 HydrophobicContact CD1-CG 4.26Å; F205-F406 HydrophobicContact CD2-CB 3.67Å; F205-F406 HydrophobicContact CD2-CD1 4.39Å; F205-F406 AromaticContact CD2-CD2 3.69Å; F205-F406 HydrophobicContact CD2-CD2 3.69Å; F205-F406 AromaticContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CE1-CB 3.98Å; F205-F406 HydrophobicContact CE2-CB 3.6Å; F205-F406 HydrophobicContact CE2-CD2 4.25Å; F205-F406 HydrophobicContact CE2-CG 4.08Å; F205-F406 HydrophobicContact CG-CB 3.88Å; F205-F406 HydrophobicContact CG-CD1 4.04Å; F205-F406 HydrophobicContact CG-CD2 4.14Å; F205-F406 AromaticContact CG-CG 3.71Å; F205-F406 HydrophobicContact CG-CG 3.71Å; F205-F406 HydrophobicContact CZ-CB 3.75Å; V382-F406 WeakPolarHBondContact CA-O 3.42Å; E383-F406 HydrophobicContact CB-CD1 4.12Å; E383-F406 HydrophobicContact CB-CE1 4.31Å; E383-F406 PolarHBondContact N-O 3.43Å; G384-F406 PolarHBondContact O-N 2.8Å; F406-P408 HydrophobicContact CE1-CB 4.46Å; F406-P408 HydrophobicContact CZ-CB 4.46Å; F406-W443 AromaticContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CZ3 4.29Å; F406-W443 HydrophobicContact CE2-CB 4.14Å; F406-W443 AromaticContact CE2-CD2 3.9Å; F406-W443 HydrophobicContact CE2-CD2 3.9Å; F406-W443 AromaticContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CG 4.21Å; F406-W443 HydrophobicContact CE2-CZ3 4.22Å; F406-W443 HydrophobicContact CZ-CB 4.38Å; F406-I445 HydrophobicContact CB-CG1 4.45Å; F406-I445 HydrophobicContact CD2-CG1 4.13Å; F406-F501 HydrophobicContact CD2-CZ 4.34Å; F406-F501 HydrophobicContact CE2-CE1 4.04Å; F406-F501 AromaticContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CZ-CE1 4.47Å; F406-F501 HydrophobicContact CZ-CZ 4.21Å |
| 407 | C | 97.3 | Very high | 95 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 9% | 0.088 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 109 | G381 S409 W443 S444 | G381-C407 PolarHBondContact O-SG 2.81Å; G381-C407 VanDerWaalsContact O-SG 3.38Å; C407-S409 PolarHBondContact O-N 3.19Å; C407-W443 CarbonylContact O-C 3.49Å; C407-W443 WeakPolarHBondContact O-CA 3.5Å; C407-W443 WeakPolarHBondContact O-CB 3.4Å; C407-S444 PolarHBondContact N-O 3.22Å; C407-S444 PolarHBondContact O-N 3.01Å |
| 408 | P | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -75.2 | 30.5 | 172 | 37.2 | -43.3 | 0 | 0 | 0 | 111.8 | T199 L201 T354 V355 F379 E383 F406 T442 | T199-P408 HydrophobicContact CG2-CB 3.77Å; T199-P408 HydrophobicContact CG2-CG 3.93Å; L201-P408 HydrophobicContact CD1-CB 4.17Å; T354-P408 CarbonylContact C-O 3.58Å; T354-P408 WeakPolarHBondContact CA-O 3.45Å; T354-P408 VanDerWaalsContact CB-O 3.28Å; T354-P408 WeakPolarHBondContact CB-O 3.23Å; V355-P408 HydrophobicContact CB-CG 4.42Å; V355-P408 HydrophobicContact CG2-CB 4.22Å; V355-P408 HydrophobicContact CG2-CG 3.6Å; V355-P408 PolarHBondContact N-O 2.86Å; F379-P408 HydrophobicContact CE2-CG 3.99Å; F379-P408 HydrophobicContact CZ-CG 3.67Å; E383-P408 HydrophobicContact CG-CG 3.84Å; E383-P408 WeakPolarHBondContact OE2-CG 3.38Å; F406-P408 HydrophobicContact CE1-CB 4.46Å; F406-P408 HydrophobicContact CZ-CB 4.46Å; P408-T442 CarbonylContact C-O 3.57Å |
| 409 | S | 95.2 | Very high | 94.6 | Very high | 22 Ų | 22 | 16.6 Ų | 16.6 | 15% | 0.154 | 9% | 0.093 | C | C | . | . | trans | -150 | 167.6 | 178.6 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | C407 S413 T442 S444 | C407-S409 PolarHBondContact O-N 3.19Å; S409-S413 WeakPolarHBondContact CA-OG 3.24Å; S409-S413 WeakPolarHBondContact CB-OG 3.24Å; S409-T442 CarbonylContact C-O 3.58Å; S409-T442 VanDerWaalsContact CA-O 3.27Å; S409-T442 WeakPolarHBondContact CA-O 3.47Å; S409-T442 PolarHBondContact N-O 3.1Å; S409-S444 WeakPolarHBondContact O-CB 3.4Å; S409-S444 PolarHBondContact O-N 2.66Å; S409-S444 PolarHBondContact O-OG 3.12Å | ||
| 410 | S | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | trans | -142.9 | -170.2 | 170.4 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | T346 N412 S413 | T346-S410 WeakPolarHBondContact CG2-OG 3.42Å; T346-S410 PolarHBondContact OG1-OG 2.69Å; S410-N412 WeakPolarHBondContact CB-OD1 3.48Å; S410-N412 PolarHBondContact O-N 3.49Å; S410-N412 VanDerWaalsContact O-N 3.13Å; S410-S413 PolarHBondContact N-OG 2.74Å; S410-S413 VanDerWaalsContact O-CB 3.27Å; S410-S413 WeakPolarHBondContact O-CB 3.19Å; S410-S413 PolarHBondContact O-N 2.78Å; S410-S413 PolarHBondContact O-OG 3.15Å | ||
| 411 | I | 95.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -173.5 | -50.1 | -51.1 | 0 | 0 | 0 | 112.9 | I419 L423 L425 Y430 Y434 F534 | I411-I419 HydrophobicContact CD1-CG2 3.93Å; I411-I419 HydrophobicContact CG2-CG2 4.33Å; I411-L423 HydrophobicContact CD1-CD1 3.45Å; I411-L423 VanDerWaalsContact CD1-CD1 3.45Å; I411-L425 HydrophobicContact CG2-CD1 3.84Å; I411-Y430 HydrophobicContact CG2-CD2 4.02Å; I411-Y430 HydrophobicContact CG2-CE2 4.06Å; I411-Y434 HydrophobicContact CB-CD1 3.73Å; I411-Y434 HydrophobicContact CB-CD2 3.99Å; I411-Y434 HydrophobicContact CB-CE1 3.96Å; I411-Y434 HydrophobicContact CB-CE2 4.2Å; I411-Y434 HydrophobicContact CB-CG 3.75Å; I411-Y434 HydrophobicContact CG1-CD1 4.19Å; I411-Y434 HydrophobicContact CG1-CD2 4.42Å; I411-Y434 HydrophobicContact CG1-CE1 3.88Å; I411-Y434 HydrophobicContact CG1-CE2 4.12Å; I411-Y434 HydrophobicContact CG1-CG 4.46Å; I411-Y434 HydrophobicContact CG2-CD1 4.33Å; I411-Y434 HydrophobicContact CG2-CD2 3.71Å; I411-Y434 HydrophobicContact CG2-CE2 4.13Å; I411-Y434 HydrophobicContact CG2-CG 3.83Å; I411-F534 HydrophobicContact CD1-CZ 4.25Å; I411-F534 HydrophobicContact CG1-CE1 4.25Å; I411-F534 HydrophobicContact CG1-CZ 4.38Å |
| 412 | N | 94.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -17 | 177.8 | 60 | -64.3 | 0 | 0 | 0 | 114.1 | S410 D414 G415 Y434 L437 T442 | S410-N412 WeakPolarHBondContact CB-OD1 3.48Å; S410-N412 PolarHBondContact O-N 3.49Å; S410-N412 VanDerWaalsContact O-N 3.13Å; N412-D414 PolarHBondContact O-N 3.37Å; N412-G415 PolarHBondContact O-N 3.01Å; N412-Y434 WeakPolarHBondContact CB-O 3.21Å; N412-L437 HydrophobicContact CB-CB 3.81Å; N412-L437 PolarHBondContact ND2-O 3.01Å; N412-T442 WeakPolarHBondContact ND2-CG2 3.27Å; N412-T442 PolarHBondContact ND2-OG1 3.08Å; N412-T442 VanDerWaalsContact ND2-OG1 3.09Å; N412-T442 PolarHBondContact OD1-OG1 2.86Å; N412-T442 VanDerWaalsContact OD1-OG1 3.06Å |
| 413 | S | 93.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.1 | -165.9 | -71.3 | 0 | 0 | 0 | 0 | 115.3 | V355 T356 R357 S409 S410 T442 | V355-S413 VanDerWaalsContact O-CB 3.29Å; V355-S413 WeakPolarHBondContact O-CB 3.49Å; V355-S413 PolarHBondContact O-OG 2.98Å; T356-S413 WeakPolarHBondContact CA-O 3.47Å; R357-S413 PolarHBondContact N-O 3.2Å; R357-S413 VanDerWaalsContact N-O 3.08Å; S409-S413 WeakPolarHBondContact CA-OG 3.24Å; S409-S413 WeakPolarHBondContact CB-OG 3.24Å; S410-S413 PolarHBondContact N-OG 2.74Å; S410-S413 VanDerWaalsContact O-CB 3.27Å; S410-S413 WeakPolarHBondContact O-CB 3.19Å; S410-S413 PolarHBondContact O-N 2.78Å; S410-S413 PolarHBondContact O-OG 3.15Å; S413-T442 PolarHBondContact OG-OG1 3.24Å |
| 414 | D | 90 | Very high | 94 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 7.4 | 176.8 | 77.1 | -21.9 | 0 | 0 | 0 | 113.6 | N412 G416 Q418 I419 | N412-D414 PolarHBondContact O-N 3.37Å; D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.04Å; D414-G416 PolarHBondContact OD1-N 2.96Å; D414-Q418 WeakPolarHBondContact OD2-CA 3.15Å; D414-Q418 PolarHBondContact OD2-N 2.77Å; D414-I419 HydrophobicContact CB-CD1 3.95Å; D414-I419 HydrophobicContact CB-CG1 4.23Å; D414-I419 WeakPolarHBondContact OD2-CG1 3.36Å; D414-I419 PolarHBondContact OD2-N 2.9Å |
| 415 | G | 88.3 | Confident | 94 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 34% | 0.34 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 14.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N412 | N412-G415 PolarHBondContact O-N 3.01Š|
| 416 | G | 87.4 | Confident | 94 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 14.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D414 R420 Y430 | D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.04Å; D414-G416 PolarHBondContact OD1-N 2.96Å; G416-R420 PolarHBondContact O-NE 2.89Å; G416-Y430 VanDerWaalsContact CA-CZ 3.4Å; G416-Y430 WeakPolarHBondContact CA-OH 3.34Å; G416-Y430 PolarHBondContact N-OH 2.94Å; G416-Y430 VanDerWaalsContact N-OH 3.11Å |
| 417 | E | 86.6 | Confident | 93.9 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 39% | 0.388 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -78.6 | -48.5 | -175.6 | -72.1 | -163.8 | 166.4 | 0 | 0 | 113.7 | R357 K421 | R357-E417 IonicContact CZ-OE1 3.5Å; R357-E417 IonicContact CZ-OE2 3.58Å; R357-E417 IonicContact NE-OE2 3.74Å; R357-E417 IonicContact NH1-OE1 2.91Å; R357-E417 PolarHBondContact NH1-OE1 2.82Å; R357-E417 IonicContact NH1-OE2 2.82Å; R357-E417 PolarHBondContact NH1-OE2 2.94Å; R357-E417 IonicContact NH2-OE1 3.9Å; R357-E417 IonicContact NH2-OE2 2.72Å; R357-E417 PolarHBondContact NH2-OE2 2.8Å; R357-E417 VanDerWaalsContact NH2-OE2 3.16Å; E417-K421 WeakPolarHBondContact O-CD 3.32Å; E417-K421 WeakPolarHBondContact O-CE 3.08Å; E417-K421 PolarHBondContact O-NZ 3.39Å |
| 418 | Q | 89.4 | Confident | 93.8 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -125.3 | -48.4 | -169.8 | -174.3 | 64.4 | 5.8 | 0 | 0 | 112.9 | Y91 D414 R420 K421 I422 | Y91-Q418 HydrophobicContact CD1-CB 4.49Å; Y91-Q418 HydrophobicContact CD1-CG 3.88Å; Y91-Q418 HydrophobicContact CE1-CB 3.93Å; Y91-Q418 HydrophobicContact CE1-CG 3.83Å; Y91-Q418 HydrophobicContact CG-CG 4.38Å; D414-Q418 WeakPolarHBondContact OD2-CA 3.15Å; D414-Q418 PolarHBondContact OD2-N 2.77Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 3.3Å; Q418-K421 WeakPolarHBondContact O-CA 3.39Å; Q418-K421 WeakPolarHBondContact O-CB 3.41Å; Q418-K421 PolarHBondContact O-N 2.86Å; Q418-I422 HydrophobicContact CG-CG2 4.16Å; Q418-I422 VanDerWaalsContact NE2-CG2 3.31Å; Q418-I422 PolarHBondContact O-N 3.22Å |
| 419 | I | 92.7 | Very high | 93.9 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 23% | 0.226 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | -177 | -63.6 | 171.5 | 0 | 0 | 0 | 110.2 | I411 D414 K421 I422 L423 | I411-I419 HydrophobicContact CD1-CG2 3.93Å; I411-I419 HydrophobicContact CG2-CG2 4.33Å; D414-I419 HydrophobicContact CB-CD1 3.95Å; D414-I419 HydrophobicContact CB-CG1 4.23Å; D414-I419 WeakPolarHBondContact OD2-CG1 3.36Å; D414-I419 PolarHBondContact OD2-N 2.9Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 2.89Å; I419-I422 VanDerWaalsContact O-CG1 3.27Å; I419-I422 WeakPolarHBondContact O-CG1 3.33Å; I419-I422 PolarHBondContact O-N 2.98Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.47Å; I419-L423 PolarHBondContact O-N 2.84Å; I419-L423 VanDerWaalsContact O-N 3.09Å |
| 420 | R | 94.5 | Very high | 94 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.8 | -39.6 | 175 | -177 | -177.9 | 71.7 | 110.6 | -15.2 | 113.1 | G416 Q418 N424 L425 D427 Y430 | G416-R420 PolarHBondContact O-NE 2.89Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 3.3Å; R420-N424 PolarHBondContact O-N 3.19Å; R420-L425 HydrophobicContact CG-CB 4.04Å; R420-L425 PolarHBondContact O-N 2.76Å; R420-D427 IonicContact CZ-OD2 2.77Å; R420-D427 IonicContact NH1-OD1 3.68Å; R420-D427 PolarHBondContact NH1-OD1 3.26Å; R420-D427 IonicContact NH1-OD2 2.67Å; R420-D427 PolarHBondContact NH1-OD2 2.77Å; R420-D427 IonicContact NH2-OD2 3.24Å; R420-Y430 HydrophobicContact CB-CD2 3.91Å; R420-Y430 HydrophobicContact CB-CE2 4.17Å; R420-Y430 HydrophobicContact CB-CG 4.41Å; R420-Y430 VanDerWaalsContact CD-CB 3.42Å; R420-Y430 VanDerWaalsContact CD-CD2 3.49Å; R420-Y430 HydrophobicContact CG-CD1 4.47Å; R420-Y430 HydrophobicContact CG-CD2 3.72Å; R420-Y430 HydrophobicContact CG-CE2 4.41Å; R420-Y430 HydrophobicContact CG-CG 3.77Å |
| 421 | K | 94.7 | Very high | 94.1 | Very high | 111 Ų | 111 | 35 Ų | 35 | 48% | 0.483 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -74.3 | -45.8 | -177.1 | -64.7 | 179.7 | -176 | 148.5 | 0 | 111.6 | F121 E417 Q418 I419 L423 N424 | F121-K421 WeakPolarHBondContact CE2-O 3.38Å; E417-K421 WeakPolarHBondContact O-CD 3.32Å; E417-K421 WeakPolarHBondContact O-CE 3.08Å; E417-K421 PolarHBondContact O-NZ 3.39Å; Q418-K421 WeakPolarHBondContact O-CA 3.39Å; Q418-K421 WeakPolarHBondContact O-CB 3.41Å; Q418-K421 PolarHBondContact O-N 2.86Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 2.89Å; K421-L423 PolarHBondContact O-N 2.86Å; K421-N424 WeakPolarHBondContact O-CA 3.49Å; K421-N424 PolarHBondContact O-N 2.93Å |
| 422 | I | 94.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -26.3 | -179.9 | 66.2 | 175.5 | 0 | 0 | 0 | 112.2 | Q93 L94 F121 Q418 I419 N424 | Q93-I422 HydrophobicContact CB-CB 4.44Å; Q93-I422 HydrophobicContact CB-CG2 4.08Å; L94-I422 HydrophobicContact CD1-CG2 4.19Å; F121-I422 VanDerWaalsContact CD2-O 3.28Å; F121-I422 WeakPolarHBondContact CD2-O 3.39Å; Q418-I422 HydrophobicContact CG-CG2 4.16Å; Q418-I422 VanDerWaalsContact NE2-CG2 3.31Å; Q418-I422 PolarHBondContact O-N 3.22Å; I419-I422 VanDerWaalsContact O-CG1 3.27Å; I419-I422 WeakPolarHBondContact O-CG1 3.33Å; I419-I422 PolarHBondContact O-N 2.98Å; I422-N424 VanDerWaalsContact C-N 3.27Å |
| 423 | L | 96 | Very high | 94.3 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.8 | 171.7 | -61.3 | -178.9 | 0 | 0 | 0 | 113.6 | M115 I411 I419 K421 L425 F534 F536 | M115-L423 WeakPolarHBondContact CG-O 3.26Å; I411-L423 HydrophobicContact CD1-CD1 3.45Å; I411-L423 VanDerWaalsContact CD1-CD1 3.45Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.47Å; I419-L423 PolarHBondContact O-N 2.84Å; I419-L423 VanDerWaalsContact O-N 3.09Å; K421-L423 PolarHBondContact O-N 2.86Å; L423-L425 HydrophobicContact CB-CD1 4.29Å; L423-L425 HydrophobicContact CB-CG 3.89Å; L423-L425 HydrophobicContact CD1-CD1 4.43Å; L423-L425 PolarHBondContact O-N 3.09Å; L423-L425 VanDerWaalsContact O-N 3.14Å; L423-F534 HydrophobicContact CD1-CE2 4.46Å; L423-F534 HydrophobicContact CD1-CZ 4Å; L423-F536 HydrophobicContact CD1-CE2 4.23Å; L423-F536 HydrophobicContact CD2-CD2 4.12Å; L423-F536 HydrophobicContact CD2-CE2 3.42Å; L423-F536 VanDerWaalsContact CD2-CE2 3.42Å; L423-F536 HydrophobicContact CD2-CZ 4.24Å; L423-F536 HydrophobicContact CG-CE2 4.48Å |
| 424 | N | 97 | Very high | 94.5 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 29 | -178 | -164 | 32.9 | 0 | 0 | 0 | 114.4 | M115 K116 R119 F121 R420 K421 I422 | M115-N424 CarbonylContact C-O 3.57Å; M115-N424 WeakPolarHBondContact CA-O 3.47Å; M115-N424 HydrophobicContact CB-CB 4.3Å; M115-N424 WeakPolarHBondContact CB-O 3.4Å; M115-N424 HydrophobicContact CG-CB 4.35Å; K116-N424 WeakPolarHBondContact CB-OD1 3.44Å; K116-N424 PolarHBondContact N-O 3.03Å; K116-N424 PolarHBondContact O-ND2 3.46Å; R119-N424 PolarHBondContact O-ND2 3.03Å; F121-N424 HydrophobicContact CD1-CB 3.67Å; F121-N424 HydrophobicContact CD2-CB 3.79Å; F121-N424 HydrophobicContact CE1-CB 3.53Å; F121-N424 WeakPolarHBondContact CE1-ND2 3.21Å; F121-N424 WeakPolarHBondContact CE1-OD1 3.27Å; F121-N424 HydrophobicContact CE2-CB 3.65Å; F121-N424 HydrophobicContact CG-CB 3.81Å; F121-N424 HydrophobicContact CZ-CB 3.54Å; F121-N424 WeakPolarHBondContact CZ-OD1 3.49Å; R420-N424 PolarHBondContact O-N 3.19Å; K421-N424 WeakPolarHBondContact O-CA 3.49Å; K421-N424 PolarHBondContact O-N 2.93Å; I422-N424 VanDerWaalsContact C-N 3.27Å |
| 425 | L | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 140.7 | -174.9 | -66.8 | 176.4 | 0 | 0 | 0 | 111.4 | A114 M115 K116 I411 R420 L423 F429 F534 | A114-L425 HydrophobicContact CB-CD2 4.3Å; M115-L425 HydrophobicContact CE-CD2 4.06Å; M115-L425 HydrophobicContact SD-CD2 4.45Å; K116-L425 VanDerWaalsContact CE-O 3.27Å; K116-L425 WeakPolarHBondContact CE-O 3.2Å; I411-L425 HydrophobicContact CG2-CD1 3.84Å; R420-L425 HydrophobicContact CG-CB 4.04Å; R420-L425 PolarHBondContact O-N 2.76Å; L423-L425 HydrophobicContact CB-CD1 4.29Å; L423-L425 HydrophobicContact CB-CG 3.89Å; L423-L425 HydrophobicContact CD1-CD1 4.43Å; L423-L425 PolarHBondContact O-N 3.09Å; L423-L425 VanDerWaalsContact O-N 3.14Å; L425-F429 HydrophobicContact CD1-CD1 4.5Å; L425-F429 HydrophobicContact CD2-CD1 4.03Å; L425-F429 HydrophobicContact CD2-CE1 4.03Å; L425-F534 HydrophobicContact CD1-CE1 4.24Å; L425-F534 HydrophobicContact CD1-CZ 3.91Å; L425-F534 HydrophobicContact CD2-CD2 4.2Å; L425-F534 HydrophobicContact CD2-CE1 4.24Å; L425-F534 HydrophobicContact CD2-CE2 3.76Å; L425-F534 HydrophobicContact CD2-CZ 3.79Å; L425-F534 HydrophobicContact CG-CZ 4.35Å |
| 426 | R | 97.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 35% | 0.347 | 22% | 0.223 | S | C | . | . | trans | -61.3 | 138.1 | 170.2 | -69.2 | 169.7 | -173.5 | -78.3 | 1 | 109.8 | Q113 A114 M115 K116 D118 G428 F429 Y430 | Q113-R426 PolarHBondContact O-NE 2.93Å; Q113-R426 VanDerWaalsContact O-NE 3.16Å; A114-R426 WeakPolarHBondContact O-CB 3.43Å; A114-R426 VanDerWaalsContact O-CG 3.23Å; A114-R426 WeakPolarHBondContact O-CG 3.21Å; A114-R426 PolarHBondContact O-N 3.18Å; M115-R426 VanDerWaalsContact O-CZ 3.22Å; M115-R426 PolarHBondContact O-NE 3.14Å; M115-R426 PolarHBondContact O-NH2 3.09Å; K116-R426 HydrophobicContact CG-CG 4.23Å; D118-R426 IonicContact OD1-CZ 2.82Å; D118-R426 IonicContact OD1-NE 3.3Å; D118-R426 IonicContact OD1-NH2 3.11Å; D118-R426 PolarHBondContact OD1-NH2 2.97Å; R426-G428 VanDerWaalsContact C-N 3.31Å; R426-G428 PolarHBondContact O-N 3.24Å; R426-F429 HydrophobicContact CB-CB 4.08Å; R426-F429 WeakPolarHBondContact O-CB 3.42Å; R426-F429 PolarHBondContact O-N 3.1Å; R426-F429 VanDerWaalsContact O-N 3.1Å; R426-Y430 PolarHBondContact O-N 3.04Å | ||
| 427 | D | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -44.3 | -179.9 | -68.8 | 40.3 | 0 | 0 | 0 | 111.6 | K116 R420 F429 Y430 N431 | K116-D427 WeakPolarHBondContact CE-OD1 3.16Å; K116-D427 IonicContact NZ-OD1 3.46Å; K116-D427 PolarHBondContact NZ-OD1 3.46Å; R420-D427 IonicContact CZ-OD2 2.77Å; R420-D427 IonicContact NH1-OD1 3.68Å; R420-D427 PolarHBondContact NH1-OD1 3.26Å; R420-D427 IonicContact NH1-OD2 2.67Å; R420-D427 PolarHBondContact NH1-OD2 2.77Å; R420-D427 IonicContact NH2-OD2 3.24Å; D427-F429 VanDerWaalsContact C-N 3.35Å; D427-F429 PolarHBondContact O-N 3.27Å; D427-Y430 PolarHBondContact O-N 2.88Å; D427-N431 VanDerWaalsContact O-CB 3.24Å; D427-N431 WeakPolarHBondContact O-CB 3.43Å; D427-N431 PolarHBondContact O-N 2.91Å; D427-N431 PolarHBondContact O-ND2 3.15Å |
| 428 | G | 96.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R426 T432 | R426-G428 VanDerWaalsContact C-N 3.31Å; R426-G428 PolarHBondContact O-N 3.24Å; G428-T432 VanDerWaalsContact O-CB 3.31Å; G428-T432 WeakPolarHBondContact O-CB 3.31Å; G428-T432 PolarHBondContact O-N 2.67Å; G428-T432 VanDerWaalsContact O-N 3.15Å; G428-T432 PolarHBondContact O-OG1 3.11Å |
| 429 | F | 97.7 | Very high | 96 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -52.6 | 176.1 | 179.5 | -94.1 | 0 | 0 | 0 | 110.8 | A114 L425 R426 D427 N431 T432 V433 Y434 L513 P514 E533 F534 | A114-F429 HydrophobicContact CB-CD1 3.98Å; A114-F429 HydrophobicContact CB-CD2 3.74Å; A114-F429 HydrophobicContact CB-CE1 3.92Å; A114-F429 HydrophobicContact CB-CE2 3.71Å; A114-F429 HydrophobicContact CB-CG 3.88Å; A114-F429 HydrophobicContact CB-CZ 3.8Å; L425-F429 HydrophobicContact CD1-CD1 4.5Å; L425-F429 HydrophobicContact CD2-CD1 4.03Å; L425-F429 HydrophobicContact CD2-CE1 4.03Å; R426-F429 HydrophobicContact CB-CB 4.08Å; R426-F429 WeakPolarHBondContact O-CB 3.42Å; R426-F429 PolarHBondContact O-N 3.1Å; R426-F429 VanDerWaalsContact O-N 3.1Å; D427-F429 VanDerWaalsContact C-N 3.35Å; D427-F429 PolarHBondContact O-N 3.27Å; F429-N431 PolarHBondContact O-N 2.94Å; F429-T432 PolarHBondContact O-N 3.33Å; F429-V433 HydrophobicContact CD2-CG2 4.37Å; F429-V433 HydrophobicContact CE2-CG2 4.21Å; F429-V433 HydrophobicContact CZ-CG2 4.35Å; F429-V433 WeakPolarHBondContact O-CG2 3.18Å; F429-V433 PolarHBondContact O-N 3.27Å; F429-Y434 HydrophobicContact CE1-CD2 4.46Å; F429-Y434 AromaticContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CZ-CE2 4.46Å; F429-L513 HydrophobicContact CE2-CB 4.34Å; F429-L513 HydrophobicContact CE2-CD1 4.23Å; F429-L513 HydrophobicContact CE2-CD2 3.95Å; F429-L513 HydrophobicContact CE2-CG 4.4Å; F429-L513 HydrophobicContact CZ-CD1 4.15Å; F429-L513 HydrophobicContact CZ-CD2 3.77Å; F429-L513 HydrophobicContact CZ-CG 4.49Å; F429-P514 HydrophobicContact CD2-CG 4.33Å; F429-E533 HydrophobicContact CE2-CG 4.11Å; F429-F534 AromaticContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CE1 4.08Å; F429-F534 HydrophobicContact CE1-CG 4.31Å; F429-F534 HydrophobicContact CZ-CB 4.12Å; F429-F534 AromaticContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CG 4.2Å |
| 430 | Y | 97.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 178.1 | 175 | -90.6 | 0 | 0 | 0 | 112.8 | I411 G416 R420 R426 D427 T432 V433 Y434 K435 | I411-Y430 HydrophobicContact CG2-CD2 4.02Å; I411-Y430 HydrophobicContact CG2-CE2 4.06Å; G416-Y430 VanDerWaalsContact CA-CZ 3.4Å; G416-Y430 WeakPolarHBondContact CA-OH 3.34Å; G416-Y430 PolarHBondContact N-OH 2.94Å; G416-Y430 VanDerWaalsContact N-OH 3.11Å; R420-Y430 HydrophobicContact CB-CD2 3.91Å; R420-Y430 HydrophobicContact CB-CE2 4.17Å; R420-Y430 HydrophobicContact CB-CG 4.41Å; R420-Y430 VanDerWaalsContact CD-CB 3.42Å; R420-Y430 VanDerWaalsContact CD-CD2 3.49Å; R420-Y430 HydrophobicContact CG-CD1 4.47Å; R420-Y430 HydrophobicContact CG-CD2 3.72Å; R420-Y430 HydrophobicContact CG-CE2 4.41Å; R420-Y430 HydrophobicContact CG-CG 3.77Å; R426-Y430 PolarHBondContact O-N 3.04Å; D427-Y430 PolarHBondContact O-N 2.88Å; Y430-T432 PolarHBondContact O-N 2.98Å; Y430-V433 PolarHBondContact O-N 3.31Å; Y430-Y434 HydrophobicContact CD2-CD2 4.29Å; Y430-Y434 HydrophobicContact CD2-CG 4.47Å; Y430-Y434 PolarHBondContact O-N 3.25Å; Y430-K435 HydrophobicContact CD1-CB 4.26Å; Y430-K435 HydrophobicContact CE1-CB 3.89Å; Y430-K435 HydrophobicContact CE1-CG 4.48Å; Y430-K435 PolarHBondContact O-N 3.09Å |
| 431 | N | 97.6 | Very high | 96.2 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -30 | -178.6 | -73.4 | -18.9 | 0 | 0 | 0 | 112.4 | D427 F429 K435 | D427-N431 VanDerWaalsContact O-CB 3.24Å; D427-N431 WeakPolarHBondContact O-CB 3.43Å; D427-N431 PolarHBondContact O-N 2.91Å; D427-N431 PolarHBondContact O-ND2 3.15Å; F429-N431 PolarHBondContact O-N 2.94Å; N431-K435 HydrophobicContact CB-CD 4.46Å |
| 432 | T | 97.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -81.9 | -43.5 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 112 | G428 F429 Y430 P514 | G428-T432 VanDerWaalsContact O-CB 3.31Å; G428-T432 WeakPolarHBondContact O-CB 3.31Å; G428-T432 PolarHBondContact O-N 2.67Å; G428-T432 VanDerWaalsContact O-N 3.15Å; G428-T432 PolarHBondContact O-OG1 3.11Å; F429-T432 PolarHBondContact O-N 3.33Å; Y430-T432 PolarHBondContact O-N 2.98Å; T432-P514 HydrophobicContact CG2-CG 3.99Å |
| 433 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -95.2 | -45.8 | -168.2 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | F429 Y430 H509 L513 P514 | F429-V433 HydrophobicContact CD2-CG2 4.37Å; F429-V433 HydrophobicContact CE2-CG2 4.21Å; F429-V433 HydrophobicContact CZ-CG2 4.35Å; F429-V433 WeakPolarHBondContact O-CG2 3.18Å; F429-V433 PolarHBondContact O-N 3.27Å; Y430-V433 PolarHBondContact O-N 3.31Å; V433-H509 PolarHBondContact O-CE1 3.11Å; V433-H509 PolarHBondContact O-NE2 3.48Å; V433-L513 HydrophobicContact CB-CD2 4.48Å; V433-L513 HydrophobicContact CG1-CD2 3.74Å; V433-L513 HydrophobicContact CG2-CD2 3.88Å; V433-P514 HydrophobicContact CG2-CG 4.32Å |
| 434 | Y | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -27.6 | -167.3 | -63.3 | -68.8 | 0 | 0 | 0 | 114.5 | G344 I411 N412 F429 Y430 P436 L437 F534 | G344-Y434 WeakPolarHBondContact CA-OH 3.34Å; G344-Y434 PolarHBondContact O-OH 2.72Å; I411-Y434 HydrophobicContact CB-CD1 3.73Å; I411-Y434 HydrophobicContact CB-CD2 3.99Å; I411-Y434 HydrophobicContact CB-CE1 3.96Å; I411-Y434 HydrophobicContact CB-CE2 4.2Å; I411-Y434 HydrophobicContact CB-CG 3.75Å; I411-Y434 HydrophobicContact CG1-CD1 4.19Å; I411-Y434 HydrophobicContact CG1-CD2 4.42Å; I411-Y434 HydrophobicContact CG1-CE1 3.88Å; I411-Y434 HydrophobicContact CG1-CE2 4.12Å; I411-Y434 HydrophobicContact CG1-CG 4.46Å; I411-Y434 HydrophobicContact CG2-CD1 4.33Å; I411-Y434 HydrophobicContact CG2-CD2 3.71Å; I411-Y434 HydrophobicContact CG2-CE2 4.13Å; I411-Y434 HydrophobicContact CG2-CG 3.83Å; N412-Y434 WeakPolarHBondContact CB-O 3.21Å; F429-Y434 HydrophobicContact CE1-CD2 4.46Å; F429-Y434 AromaticContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CZ-CE2 4.46Å; Y430-Y434 HydrophobicContact CD2-CD2 4.29Å; Y430-Y434 HydrophobicContact CD2-CG 4.47Å; Y430-Y434 PolarHBondContact O-N 3.25Å; Y434-P436 VanDerWaalsContact C-CD 3.42Å; Y434-P436 VanDerWaalsContact C-N 3.32Å; Y434-L437 HydrophobicContact CD1-CD1 4.46Å; Y434-L437 WeakPolarHBondContact O-CB 3.39Å; Y434-L437 PolarHBondContact O-N 2.86Å; Y434-F534 HydrophobicContact CE2-CD1 4.25Å; Y434-F534 AromaticContact CE2-CE1 3.75Å; Y434-F534 HydrophobicContact CE2-CE1 3.75Å; Y434-F534 AromaticContact CZ-CE1 3.86Å; Y434-F534 WeakPolarHBondContact OH-CD1 3.12Å; Y434-F534 VanDerWaalsContact OH-CE1 3.31Å; Y434-F534 WeakPolarHBondContact OH-CE1 3.43Å |
| 435 | K | 96.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -57.9 | -36.9 | 175.7 | -172.7 | 177.6 | -179.2 | -178.7 | 0 | 113.6 | Y430 N431 L437 Q438 | Y430-K435 HydrophobicContact CD1-CB 4.26Å; Y430-K435 HydrophobicContact CE1-CB 3.89Å; Y430-K435 HydrophobicContact CE1-CG 4.48Å; Y430-K435 PolarHBondContact O-N 3.09Å; N431-K435 HydrophobicContact CB-CD 4.46Å; K435-L437 PolarHBondContact O-N 3.34Å; K435-L437 VanDerWaalsContact O-N 3.11Å; K435-Q438 VanDerWaalsContact O-CB 3.28Å; K435-Q438 WeakPolarHBondContact O-CB 3.33Å; K435-Q438 PolarHBondContact O-N 2.71Å |
| 436 | P | 97 | Very high | 96.7 | Very high | 79 Ų | 79 | 43 Ų | 43 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -59.2 | -21.4 | 174.1 | -26.7 | 37.6 | 0 | 0 | 0 | 114.2 | Y434 I511 | Y434-P436 VanDerWaalsContact C-CD 3.42Å; Y434-P436 VanDerWaalsContact C-N 3.32Å; P436-I511 HydrophobicContact CB-CD1 3.84Å; P436-I511 HydrophobicContact CG-CD1 3.78Å |
| 437 | L | 96 | Very high | 96.7 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -91.5 | 7.7 | 178.1 | -57.4 | 178.6 | 0 | 0 | 0 | 113.8 | T346 V348 N412 Y434 K435 H439 S440 T442 H509 | T346-L437 HydrophobicContact CG2-CD1 3.95Å; V348-L437 HydrophobicContact CG2-CD2 3.9Å; N412-L437 HydrophobicContact CB-CB 3.81Å; N412-L437 PolarHBondContact ND2-O 3.01Å; Y434-L437 HydrophobicContact CD1-CD1 4.46Å; Y434-L437 WeakPolarHBondContact O-CB 3.39Å; Y434-L437 PolarHBondContact O-N 2.86Å; K435-L437 PolarHBondContact O-N 3.34Å; K435-L437 VanDerWaalsContact O-N 3.11Å; L437-H439 PolarHBondContact O-N 3.26Å; L437-S440 WeakPolarHBondContact O-CB 3.28Å; L437-S440 PolarHBondContact O-N 2.9Å; L437-T442 HydrophobicContact CB-CG2 4.49Å; L437-T442 HydrophobicContact CD1-CG2 4.17Å; L437-H509 VanDerWaalsContact CD1-CD2 3.5Å; L437-H509 WeakPolarHBondContact CD1-CD2 3.42Å |
| 438 | Q | 92.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.1 | -173.4 | 179 | 174.4 | 0.8 | 0 | 0 | 113.9 | K435 | K435-Q438 VanDerWaalsContact O-CB 3.28Å; K435-Q438 WeakPolarHBondContact O-CB 3.33Å; K435-Q438 PolarHBondContact O-N 2.71Å |
| 439 | H | 89.6 | Confident | 96.8 | Very high | 171 Ų | 171 | 33.4 Ų | 33.4 | 79% | 0.792 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.9 | 178.8 | -57.9 | -55.5 | 0 | 0 | 0 | 113.5 | L437 | L437-H439 PolarHBondContact O-N 3.26Š|
| 440 | S | 94.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 33 Ų | 33 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -91.8 | 148 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | L437 | L437-S440 WeakPolarHBondContact O-CB 3.28Å; L437-S440 PolarHBondContact O-N 2.9Å |
| 441 | E | 96.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.6 | 168.9 | -62.8 | -74.4 | 146.4 | 0 | 0 | 108.3 | V348 V349 A351 L353 T354 R359 | V348-E441 WeakPolarHBondContact CA-O 3.45Å; V349-E441 HydrophobicContact CG2-CB 3.71Å; V349-E441 PolarHBondContact N-O 2.97Å; A351-E441 WeakPolarHBondContact O-CB 3.43Å; A351-E441 WeakPolarHBondContact O-CG 3.13Å; L353-E441 PolarHBondContact N-OE2 2.76Å; T354-E441 WeakPolarHBondContact CB-OE2 3.38Å; T354-E441 HydrophobicContact CG2-CB 3.95Å; T354-E441 PolarHBondContact N-OE2 3.28Å; T354-E441 PolarHBondContact OG1-OE2 3.16Å; R359-E441 IonicContact CZ-OE1 3.92Å; R359-E441 IonicContact CZ-OE2 3.99Å; R359-E441 IonicContact NH1-OE1 3.5Å; R359-E441 PolarHBondContact NH1-OE1 3.08Å; R359-E441 IonicContact NH1-OE2 3.36Å; R359-E441 PolarHBondContact NH1-OE2 3.21Å; R359-E441 IonicContact NH2-OE1 3.62Å; R359-E441 PolarHBondContact NH2-OE1 3.38Å; R359-E441 IonicContact NH2-OE2 2.66Å; R359-E441 PolarHBondContact NH2-OE2 3Å |
| 442 | T | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.6 | -172.3 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | T346 F347 V348 T354 P408 S409 N412 S413 L437 | T346-T442 HydrophobicContact CG2-CG2 3.88Å; F347-T442 CarbonylContact O-C 3.57Å; F347-T442 WeakPolarHBondContact O-CA 3.49Å; F347-T442 WeakPolarHBondContact O-CB 3.28Å; V348-T442 HydrophobicContact CG2-CG2 4.24Å; T354-T442 WeakPolarHBondContact CB-O 3.48Å; T354-T442 WeakPolarHBondContact CG2-O 3.34Å; P408-T442 CarbonylContact C-O 3.57Å; S409-T442 CarbonylContact C-O 3.58Å; S409-T442 VanDerWaalsContact CA-O 3.27Å; S409-T442 WeakPolarHBondContact CA-O 3.47Å; S409-T442 PolarHBondContact N-O 3.1Å; N412-T442 WeakPolarHBondContact ND2-CG2 3.27Å; N412-T442 PolarHBondContact ND2-OG1 3.08Å; N412-T442 VanDerWaalsContact ND2-OG1 3.09Å; N412-T442 PolarHBondContact OD1-OG1 2.86Å; N412-T442 VanDerWaalsContact OD1-OG1 3.06Å; S413-T442 PolarHBondContact OG-OG1 3.24Å; L437-T442 HydrophobicContact CB-CG2 4.49Å; L437-T442 HydrophobicContact CD1-CG2 4.17Å |
| 443 | W | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 166 | 165.6 | 65.3 | -88.9 | 0 | 0 | 0 | 110 | L201 F347 V349 F406 C407 I445 V495 F501 S506 | L201-W443 HydrophobicContact CD1-CB 4.03Å; L201-W443 HydrophobicContact CD1-CG 4.38Å; F347-W443 HydrophobicContact CB-CD2 3.79Å; F347-W443 HydrophobicContact CB-CE3 4.36Å; F347-W443 HydrophobicContact CB-CG 4.22Å; F347-W443 HydrophobicContact CB-CH2 4.17Å; F347-W443 HydrophobicContact CB-CZ2 3.57Å; F347-W443 HydrophobicContact CB-CZ3 4.49Å; F347-W443 HydrophobicContact CD1-CH2 4.04Å; F347-W443 AromaticContact CD1-CZ2 3.91Å; F347-W443 HydrophobicContact CD1-CZ2 3.91Å; F347-W443 AromaticContact CD2-CD2 3.99Å; F347-W443 HydrophobicContact CD2-CD2 3.99Å; F347-W443 AromaticContact CD2-CE2 3.97Å; F347-W443 AromaticContact CD2-CE3 3.67Å; F347-W443 HydrophobicContact CD2-CE3 3.67Å; F347-W443 AromaticContact CD2-CH2 3.35Å; F347-W443 HydrophobicContact CD2-CH2 3.35Å; F347-W443 AromaticContact CD2-CZ2 3.7Å; F347-W443 HydrophobicContact CD2-CZ2 3.7Å; F347-W443 AromaticContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CE1-CH2 4.28Å; F347-W443 HydrophobicContact CE2-CE3 4.34Å; F347-W443 AromaticContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CZ2 4.35Å; F347-W443 AromaticContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CG-CD2 4.16Å; F347-W443 AromaticContact CG-CE2 3.71Å; F347-W443 HydrophobicContact CG-CE3 4.27Å; F347-W443 AromaticContact CG-CH2 3.58Å; F347-W443 HydrophobicContact CG-CH2 3.58Å; F347-W443 AromaticContact CG-CZ2 3.44Å; F347-W443 HydrophobicContact CG-CZ2 3.44Å; F347-W443 VanDerWaalsContact CG-CZ2 3.44Å; F347-W443 AromaticContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CZ-CH2 4.08Å; F347-W443 HydrophobicContact CZ-CZ3 4.45Å; F347-W443 PolarHBondContact N-O 3.31Å; F347-W443 PolarHBondContact O-N 3.45Å; V349-W443 VanDerWaalsContact CG1-CD1 3.49Å; F406-W443 AromaticContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CZ3 4.29Å; F406-W443 HydrophobicContact CE2-CB 4.14Å; F406-W443 AromaticContact CE2-CD2 3.9Å; F406-W443 HydrophobicContact CE2-CD2 3.9Å; F406-W443 AromaticContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CG 4.21Å; F406-W443 HydrophobicContact CE2-CZ3 4.22Å; F406-W443 HydrophobicContact CZ-CB 4.38Å; C407-W443 CarbonylContact O-C 3.49Å; C407-W443 WeakPolarHBondContact O-CA 3.5Å; C407-W443 WeakPolarHBondContact O-CB 3.4Å; W443-I445 HydrophobicContact CE3-CG1 4.32Å; W443-I445 HydrophobicContact CH2-CD1 4.11Å; W443-I445 HydrophobicContact CZ3-CB 4.32Å; W443-I445 HydrophobicContact CZ3-CD1 3.55Å; W443-I445 HydrophobicContact CZ3-CG1 3.65Å; W443-V495 HydrophobicContact CH2-CG1 4.36Å; W443-F501 HydrophobicContact CD2-CD1 4.42Å; W443-F501 AromaticContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CZ 4.48Å; W443-F501 AromaticContact CE2-CD1 3.56Å; W443-F501 AromaticContact CE2-CE1 3.39Å; W443-F501 HydrophobicContact CE3-CE1 4.35Å; W443-F501 HydrophobicContact CG-CE1 4.24Å; W443-F501 HydrophobicContact CH2-CD1 4.44Å; W443-F501 HydrophobicContact CH2-CE1 4.21Å; W443-F501 HydrophobicContact CH2-CZ 4.37Å; W443-F501 AromaticContact CZ2-CD1 3.56Å; W443-F501 HydrophobicContact CZ2-CD1 3.56Å; W443-F501 AromaticContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CG 4.13Å; W443-F501 HydrophobicContact CZ2-CZ 4.2Å; W443-F501 AromaticContact NE1-CD1 3.6Å; W443-F501 AromaticContact NE1-CE1 3.66Å; W443-S506 VanDerWaalsContact CZ2-OG 3.26Å; W443-S506 WeakPolarHBondContact CZ2-OG 3.33Å; W443-S506 PolarHBondContact NE1-OG 3.27Å |
| 444 | S | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.9 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | L345 C407 S409 | L345-S444 WeakPolarHBondContact O-CA 3.47Å; L345-S444 WeakPolarHBondContact O-CB 3.48Å; C407-S444 PolarHBondContact N-O 3.22Å; C407-S444 PolarHBondContact O-N 3.01Å; S409-S444 WeakPolarHBondContact O-CB 3.4Å; S409-S444 PolarHBondContact O-N 2.66Å; S409-S444 PolarHBondContact O-OG 3.12Å |
| 445 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.5 | 162.1 | -82.3 | 164.5 | 0 | 0 | 0 | 106.4 | F205 L345 F404 H405 F406 W443 P447 A492 V495 | F205-I445 HydrophobicContact CE2-CD1 4.07Å; F205-I445 HydrophobicContact CE2-CG1 4.42Å; L345-I445 PolarHBondContact O-N 3.24Å; F404-I445 HydrophobicContact CB-CG2 3.85Å; F404-I445 HydrophobicContact CD1-CG2 3.6Å; F404-I445 HydrophobicContact CD2-CD1 4.01Å; F404-I445 HydrophobicContact CD2-CG2 3.87Å; F404-I445 HydrophobicContact CE1-CG2 4.04Å; F404-I445 HydrophobicContact CE2-CD1 4.3Å; F404-I445 HydrophobicContact CE2-CG2 4.28Å; F404-I445 HydrophobicContact CG-CG2 3.5Å; F404-I445 HydrophobicContact CZ-CG2 4.35Å; H405-I445 WeakPolarHBondContact O-CA 3.28Å; F406-I445 HydrophobicContact CB-CG1 4.45Å; F406-I445 HydrophobicContact CD2-CG1 4.13Å; W443-I445 HydrophobicContact CE3-CG1 4.32Å; W443-I445 HydrophobicContact CH2-CD1 4.11Å; W443-I445 HydrophobicContact CZ3-CB 4.32Å; W443-I445 HydrophobicContact CZ3-CD1 3.55Å; W443-I445 HydrophobicContact CZ3-CG1 3.65Å; I445-P447 WeakPolarHBondContact O-CD 3.18Å; I445-A492 HydrophobicContact CB-CB 4.08Å; I445-A492 HydrophobicContact CD1-CB 4.14Å; I445-A492 HydrophobicContact CG2-CB 3.68Å; I445-V495 HydrophobicContact CD1-CB 4.01Å; I445-V495 HydrophobicContact CD1-CG1 3.88Å; I445-V495 HydrophobicContact CD1-CG2 4.24Å |
| 446 | L | 97.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 106.3 | 164.6 | -57 | 173.5 | 0 | 0 | 0 | 107.6 | F404 H405 L448 F536 | F404-L446 WeakPolarHBondContact CA-O 3.32Å; H405-L446 HydrophobicContact CB-CB 4.23Å; H405-L446 HydrophobicContact CB-CD1 4.3Å; H405-L446 PolarHBondContact N-O 2.72Å; H405-L446 VanDerWaalsContact N-O 3.14Å; H405-L446 PolarHBondContact O-N 3.42Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 HydrophobicContact CB-CG 4.32Å; L446-F536 HydrophobicContact CD1-CD1 4.26Å; L446-F536 HydrophobicContact CD1-CE1 3.6Å; L446-F536 HydrophobicContact CD1-CZ 3.95Å; L446-F536 HydrophobicContact CD2-CD1 4.27Å; L446-F536 HydrophobicContact CD2-CE1 4.24Å; L446-F536 HydrophobicContact CD2-CG 4.48Å; L446-F536 HydrophobicContact CD2-CZ 4.39Å |
| 447 | P | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 119.9 | 169.9 | 31.5 | -32.2 | 0 | 0 | 0 | 109 | G341 L342 L345 F404 I445 L485 I489 | G341-P447 WeakPolarHBondContact CA-O 3.19Å; L342-P447 HydrophobicContact CB-CG 4.24Å; L345-P447 HydrophobicContact CD2-CG 4.27Å; F404-P447 HydrophobicContact CD1-CB 4.21Å; F404-P447 HydrophobicContact CE1-CB 3.9Å; I445-P447 WeakPolarHBondContact O-CD 3.18Å; P447-L485 WeakPolarHBondContact O-CD2 3.25Å; P447-I489 HydrophobicContact CG-CG1 3.83Å |
| 448 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128 | -170.7 | -58.3 | 159.2 | 0 | 0 | 0 | 109.8 | V402 Q403 H405 L446 L450 I538 | V402-L448 WeakPolarHBondContact CA-O 3.32Å; Q403-L448 HydrophobicContact CB-CB 4.28Å; Q403-L448 HydrophobicContact CB-CD1 4.4Å; Q403-L448 HydrophobicContact CG-CD1 4.22Å; Q403-L448 PolarHBondContact N-O 3.17Å; Q403-L448 WeakPolarHBondContact O-CB 3.44Å; Q403-L448 PolarHBondContact O-N 3.34Å; H405-L448 HydrophobicContact CB-CD1 4.4Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 HydrophobicContact CB-CG 4.32Å; L448-L450 PolarHBondContact O-N 3.23Å; L448-I538 HydrophobicContact CB-CD1 4.47Å; L448-I538 HydrophobicContact CD1-CD1 3.59Å; L448-I538 HydrophobicContact CD1-CG2 4.08Å; L448-I538 HydrophobicContact CD2-CB 4.38Å; L448-I538 HydrophobicContact CD2-CD1 3.89Å; L448-I538 HydrophobicContact CD2-CG1 4.16Å; L448-I538 HydrophobicContact CD2-CG2 3.41Å; L448-I538 VanDerWaalsContact CD2-CG2 3.41Å; L448-I538 HydrophobicContact CG-CD1 4.14Å; L448-I538 HydrophobicContact CG-CG2 4.34Å |
| 449 | L | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.1 | 172.3 | -179.4 | 64.2 | 0 | 0 | 0 | 109.4 | H339 V340 P452 D481 V484 L485 | H339-L449 PolarHBondContact CD2-O 2.76Å; V340-L449 HydrophobicContact CG1-CD2 4.34Å; V340-L449 VanDerWaalsContact O-CB 3.29Å; V340-L449 WeakPolarHBondContact O-CB 3.41Å; V340-L449 PolarHBondContact O-N 2.95Å; L449-P452 HydrophobicContact CD2-CB 3.94Å; L449-P452 HydrophobicContact CG-CB 4.43Å; L449-D481 HydrophobicContact CD2-CB 3.47Å; L449-D481 VanDerWaalsContact CD2-CB 3.47Å; L449-V484 HydrophobicContact CD1-CB 3.89Å; L449-V484 HydrophobicContact CD1-CG1 3.59Å; L449-L485 HydrophobicContact CB-CD1 4.33Å; L449-L485 HydrophobicContact CB-CD2 3.9Å; L449-L485 HydrophobicContact CB-CG 4.02Å |
| 450 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -91.6 | -22.1 | -176.2 | -68 | 176.5 | 0 | 0 | 0 | 114.4 | H339 F387 D401 Q403 L448 N582 | H339-L450 PolarHBondContact NE2-O 2.91Å; H339-L450 VanDerWaalsContact NE2-O 3.09Å; F387-L450 HydrophobicContact CD1-CD1 3.65Å; F387-L450 HydrophobicContact CE1-CD1 3.9Å; F387-L450 HydrophobicContact CE1-CD2 4.45Å; D401-L450 PolarHBondContact O-N 3.17Å; Q403-L450 HydrophobicContact CB-CD1 3.85Å; Q403-L450 HydrophobicContact CB-CD2 3.55Å; Q403-L450 HydrophobicContact CB-CG 3.82Å; L448-L450 PolarHBondContact O-N 3.23Å; L450-N582 HydrophobicContact CB-CB 4.41Å; L450-N582 WeakPolarHBondContact CB-OD1 3.39Å; L450-N582 HydrophobicContact CD1-CB 4.18Å; L450-N582 WeakPolarHBondContact CD1-OD1 3.24Å |
| 451 | R | 96.8 | Very high | 97.9 | Very high | 63 Ų | 63 | 26 Ų | 26 | 24% | 0.238 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -129.3 | 68.6 | -179.9 | -63.7 | -171.2 | -57 | -129.2 | -0.6 | 111.1 | W399 K453 N582 | W399-R451 PolarHBondContact O-NH1 3.19Å; R451-K453 PolarHBondContact O-N 3.01Å; R451-N582 WeakPolarHBondContact CD-ND2 3.49Å; R451-N582 VanDerWaalsContact CG-ND2 3.32Å; R451-N582 WeakPolarHBondContact CG-ND2 3.25Å |
| 452 | P | 97.6 | Very high | 98 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | trans | -60.6 | 134.8 | 178.7 | 27.9 | -36.2 | 0 | 0 | 0 | 111 | L449 I580 | L449-P452 HydrophobicContact CD2-CB 3.94Å; L449-P452 HydrophobicContact CG-CB 4.43Å; P452-I580 HydrophobicContact CG-CG2 4.1Å | ||
| 453 | K | 97.9 | Very high | 98 | Very high | 119 Ų | 119 | 31.7 Ų | 31.7 | 52% | 0.517 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -81.8 | -34.1 | 167.6 | -60.1 | -60.8 | -174.1 | 177.2 | 0 | 110.9 | R451 T455 H478 D481 | R451-K453 PolarHBondContact O-N 3.01Å; K453-T455 PolarHBondContact O-N 3Å; K453-H478 HydrophobicContact CB-CB 3.8Å; K453-D481 PolarHBondContact N-OD1 2.84Å |
| 454 | S | 97.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | trans | -66.5 | 126.7 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | N474 F476 A477 H478 D481 | S454-N474 WeakPolarHBondContact CB-O 3.15Å; S454-F476 PolarHBondContact OG-N 3.29Å; S454-A477 PolarHBondContact OG-N 3.31Å; S454-H478 PolarHBondContact OG-N 2.79Å; S454-D481 WeakPolarHBondContact CB-OD2 3.46Å; S454-D481 PolarHBondContact N-OD2 3.12Å; S454-D481 PolarHBondContact OG-OD2 2.86Å | ||
| 455 | T | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 32% | 0.319 | 17% | 0.169 | S | C | . | . | trans | -122.6 | 143.1 | 172.8 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | Q337 K453 N474 | Q337-T455 HydrophobicContact CG-CG2 3.76Å; K453-T455 PolarHBondContact O-N 3Å; T455-N474 WeakPolarHBondContact O-CB 3.48Å; T455-N474 PolarHBondContact O-ND2 2.62Å | ||
| 456 | G | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -112.2 | -162.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N335 M336 I472 P473 | N335-G456 PolarHBondContact N-O 3.45Å; M336-G456 VanDerWaalsContact CB-C 3.45Å; M336-G456 WeakPolarHBondContact CB-O 3.34Å; M336-G456 PolarHBondContact N-O 3.38Å; M336-G456 PolarHBondContact O-N 2.82Å; G456-I472 CarbonylContact C-O 3.47Å; G456-I472 WeakPolarHBondContact CA-O 3.37Å; G456-P473 WeakPolarHBondContact CA-O 3.46Å; G456-P473 PolarHBondContact N-O 3.42Å |
| 457 | W | 98.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 35% | 0.348 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 157 | 179.5 | 53.2 | 94.3 | 0 | 0 | 0 | 114.2 | G333 I472 N474 | G333-W457 CarbonylContact O-C 2.96Å; G333-W457 WeakPolarHBondContact O-CA 3.39Å; G333-W457 WeakPolarHBondContact O-CB 3.41Å; W457-I472 HydrophobicContact CD2-CB 4.17Å; W457-I472 HydrophobicContact CD2-CG2 4.33Å; W457-I472 HydrophobicContact CG-CB 4.34Å; W457-I472 HydrophobicContact CH2-CG2 4.04Å; W457-I472 HydrophobicContact CZ2-CB 4.19Å; W457-I472 HydrophobicContact CZ2-CG2 3.6Å; W457-I472 PolarHBondContact N-O 2.8Å; W457-I472 PolarHBondContact O-N 3.49Å; W457-N474 HydrophobicContact CH2-CB 4.31Å; W457-N474 HydrophobicContact CZ3-CB 3.9Å |
| 458 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.9 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L302 P305 G333 M336 P469 K470 T544 | L302-V458 HydrophobicContact CD2-CG2 3.84Å; P305-V458 HydrophobicContact CG-CB 4.3Å; P305-V458 HydrophobicContact CG-CG1 4.23Å; G333-V458 PolarHBondContact O-N 2.97Å; M336-V458 HydrophobicContact CG-CG2 4.37Å; M336-V458 HydrophobicContact SD-CG2 3.5Å; M336-V458 WeakPolarHBondContact SD-CG2 3.29Å; V458-P469 HydrophobicContact CG1-CB 3.72Å; V458-P469 HydrophobicContact CG1-CG 4.2Å; V458-K470 WeakPolarHBondContact CA-O 3.34Å; V458-T544 HydrophobicContact CG2-CG2 3.81Å |
| 459 | R | 98.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.4 | 176.6 | -64.5 | -67.3 | -178.3 | -94.9 | -1.6 | 111 | N334 P469 K470 | N334-R459 VanDerWaalsContact OD1-CZ 3.25Å; N334-R459 PolarHBondContact OD1-NH1 2.92Å; N334-R459 PolarHBondContact OD1-NH2 3.21Å; R459-P469 CarbonylContact O-C 3.53Å; R459-P469 VanDerWaalsContact O-CA 3.32Å; R459-P469 WeakPolarHBondContact O-CA 3.35Å; R459-P469 VanDerWaalsContact O-CB 3.29Å; R459-P469 WeakPolarHBondContact O-CB 3.48Å; R459-K470 HydrophobicContact CB-CB 4.35Å; R459-K470 PolarHBondContact N-O 2.88Å; R459-K470 PolarHBondContact O-N 2.8Å |
| 460 | L | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -65.2 | 140.3 | 167.2 | -57.4 | 179.5 | 0 | 0 | 0 | 109.6 | K306 M309 L310 H318 H322 I324 | K306-L460 HydrophobicContact CB-CD2 4.3Å; K306-L460 HydrophobicContact CG-CD2 3.7Å; M309-L460 HydrophobicContact CB-CD1 3.8Å; M309-L460 HydrophobicContact CB-CD2 4.03Å; M309-L460 HydrophobicContact CB-CG 3.87Å; M309-L460 HydrophobicContact CE-CD2 4.08Å; M309-L460 HydrophobicContact CE-CG 4.13Å; M309-L460 HydrophobicContact SD-CG 4.1Å; L310-L460 HydrophobicContact CD2-CD1 3.93Å; L310-L460 HydrophobicContact CD2-CD2 4.19Å; L310-L460 HydrophobicContact CG-CD1 4.23Å; L310-L460 HydrophobicContact CG-CD2 3.89Å; H318-L460 WeakPolarHBondContact NE2-CB 3.4Å; H318-L460 PolarHBondContact NE2-N 3.26Å; H318-L460 VanDerWaalsContact NE2-N 3.19Å; H322-L460 PolarHBondContact NE2-O 2.92Å; I324-L460 HydrophobicContact CD1-CD1 3.46Å; I324-L460 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 461 | N | 96.9 | Very high | 97.6 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -84.6 | -29.9 | 166.9 | -168.8 | 42 | 0 | 0 | 0 | 111.1 | Q468 K470 | N461-Q468 WeakPolarHBondContact CB-O 3.11Å; N461-K470 HydrophobicContact CB-CG 4.19Å; N461-K470 WeakPolarHBondContact OD1-CE 3.49Å |
| 462 | S | 97.8 | Very high | 97.6 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | trans | -163.7 | 177.3 | 176 | 75 | 0 | 0 | 0 | 0 | 110 | N464 H467 | S462-N464 VanDerWaalsContact C-N 3.28Å; S462-N464 PolarHBondContact O-N 3.14Å; S462-N464 PolarHBondContact OG-N 3.45Å; S462-N464 VanDerWaalsContact OG-N 3.12Å; S462-H467 PolarHBondContact OG-ND1 2.92Å | ||
| 463 | R | 97.1 | Very high | 97.6 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -74.3 | -12.1 | 171.6 | -168.7 | 172.4 | 176.6 | -172 | -0.9 | 114.2 | N323 I324 P465 | N323-R463 PolarHBondContact O-NH1 2.6Å; I324-R463 HydrophobicContact CD1-CG 4.27Å; I324-R463 HydrophobicContact CG1-CG 4.01Å; R463-P465 WeakPolarHBondContact O-CD 3.12Å |
| 464 | N | 97.2 | Very high | 97.6 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -72 | 116.4 | 176.1 | -176.6 | -5.3 | 0 | 0 | 0 | 109.7 | S462 Q466 H467 | S462-N464 VanDerWaalsContact C-N 3.28Å; S462-N464 PolarHBondContact O-N 3.14Å; S462-N464 PolarHBondContact OG-N 3.45Å; S462-N464 VanDerWaalsContact OG-N 3.12Å; N464-Q466 PolarHBondContact O-N 2.8Å; N464-Q466 VanDerWaalsContact O-N 3.13Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.12Å; N464-Q466 PolarHBondContact OD1-N 3.3Å; N464-H467 PolarHBondContact ND2-CD2 3.22Å; N464-H467 PolarHBondContact ND2-NE2 2.68Å; N464-H467 VanDerWaalsContact ND2-NE2 3.13Å; N464-H467 PolarHBondContact O-N 3.15Å | ||
| 465 | P | 96.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.5 | 179.7 | 26.2 | -35.5 | 0 | 0 | 0 | 112.9 | T265 K306 L310 R463 H467 | T265-P465 HydrophobicContact CG2-CB 3.68Å; T265-P465 HydrophobicContact CG2-CG 3.79Å; K306-P465 VanDerWaalsContact CE-O 3.24Å; K306-P465 WeakPolarHBondContact CE-O 3.14Å; K306-P465 PolarHBondContact NZ-O 3.47Å; L310-P465 HydrophobicContact CD1-CB 3.92Å; R463-P465 WeakPolarHBondContact O-CD 3.12Å; P465-H467 VanDerWaalsContact C-N 3.29Å; P465-H467 PolarHBondContact O-N 3.3Å |
| 466 | Q | 95 | Very high | 97.5 | Very high | 99 Ų | 99 | 44.4 Ų | 44.4 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.5 | 178.6 | -61.4 | -61.8 | -66.3 | 0 | 0 | 113.3 | E263 N464 | E263-Q466 PolarHBondContact OE2-NE2 3.43Å; N464-Q466 PolarHBondContact O-N 2.8Å; N464-Q466 VanDerWaalsContact O-N 3.13Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.12Å; N464-Q466 PolarHBondContact OD1-N 3.3Å |
| 467 | H | 97.3 | Very high | 97.5 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78 | 138.1 | 174.5 | -66.2 | 177.8 | 0 | 0 | 0 | 110.3 | K306 S462 N464 P465 | K306-H467 WeakPolarHBondContact CE-O 3.44Å; K306-H467 PolarHBondContact NZ-O 2.99Å; S462-H467 PolarHBondContact OG-ND1 2.92Å; N464-H467 PolarHBondContact ND2-CD2 3.22Å; N464-H467 PolarHBondContact ND2-NE2 2.68Å; N464-H467 VanDerWaalsContact ND2-NE2 3.13Å; N464-H467 PolarHBondContact O-N 3.15Å; P465-H467 VanDerWaalsContact C-N 3.29Å; P465-H467 PolarHBondContact O-N 3.3Å |
| 468 | Q | 96.7 | Very high | 97.4 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 149.2 | 174.5 | -64.4 | -169 | -6 | 0 | 0 | 110.8 | W99 K100 Y101 N461 | W99-Q468 PolarHBondContact O-NE2 2.87Å; K100-Q468 PolarHBondContact O-NE2 2.9Å; Y101-Q468 HydrophobicContact CD1-CB 4.01Å; Y101-Q468 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q468 HydrophobicContact CD1-CG 3.87Å; Y101-Q468 HydrophobicContact CE1-CB 3.86Å; Y101-Q468 HydrophobicContact CE1-CG 3.67Å; N461-Q468 WeakPolarHBondContact CB-O 3.11Å |
| 469 | P | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 157.6 | 173.8 | 32.2 | -32.7 | 0 | 0 | 0 | 110.9 | Y101 K306 V458 R459 I471 | Y101-P469 HydrophobicContact CE1-CG 4.3Å; K306-P469 HydrophobicContact CD-CG 4.44Å; V458-P469 HydrophobicContact CG1-CB 3.72Å; V458-P469 HydrophobicContact CG1-CG 4.2Å; R459-P469 CarbonylContact O-C 3.53Å; R459-P469 VanDerWaalsContact O-CA 3.32Å; R459-P469 WeakPolarHBondContact O-CA 3.35Å; R459-P469 VanDerWaalsContact O-CB 3.29Å; R459-P469 WeakPolarHBondContact O-CB 3.48Å; P469-I471 HydrophobicContact CG-CG1 4.33Å; P469-I471 PolarHBondContact O-N 3.21Å |
| 470 | K | 98 | Very high | 97.4 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 43% | 0.426 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.8 | 163.9 | -65.6 | -179.4 | 180 | 173.9 | 0 | 107.9 | V458 R459 N461 I472 | V458-K470 WeakPolarHBondContact CA-O 3.34Å; R459-K470 HydrophobicContact CB-CB 4.35Å; R459-K470 PolarHBondContact N-O 2.88Å; R459-K470 PolarHBondContact O-N 2.8Å; N461-K470 HydrophobicContact CB-CG 4.19Å; N461-K470 WeakPolarHBondContact OD1-CE 3.49Å; K470-I472 HydrophobicContact CB-CD1 3.76Å |
| 471 | I | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.9 | 177.7 | -64.3 | 160.1 | 0 | 0 | 0 | 106.9 | Y101 T104 W122 L302 M336 P469 P473 | Y101-I471 HydrophobicContact CD1-CD1 4.08Å; Y101-I471 HydrophobicContact CD2-CD1 4.44Å; Y101-I471 HydrophobicContact CG-CD1 3.8Å; T104-I471 VanDerWaalsContact CB-O 3.28Å; T104-I471 WeakPolarHBondContact CB-O 3.41Å; T104-I471 PolarHBondContact N-O 3.31Å; T104-I471 PolarHBondContact OG1-O 2.68Å; W122-I471 HydrophobicContact CD2-CG2 4.06Å; W122-I471 HydrophobicContact CE3-CD1 4.4Å; W122-I471 HydrophobicContact CE3-CG2 3.48Å; W122-I471 VanDerWaalsContact CE3-CG2 3.48Å; W122-I471 HydrophobicContact CH2-CG2 3.95Å; W122-I471 HydrophobicContact CZ2-CG2 4.43Å; W122-I471 HydrophobicContact CZ3-CG2 3.4Å; L302-I471 HydrophobicContact CD1-CD1 3.84Å; L302-I471 HydrophobicContact CD1-CG1 4.48Å; M336-I471 HydrophobicContact CE-CG2 3.92Å; M336-I471 HydrophobicContact SD-CG2 4.01Å; P469-I471 HydrophobicContact CG-CG1 4.33Å; P469-I471 PolarHBondContact O-N 3.21Å; I471-P473 WeakPolarHBondContact O-CD 3.37Å |
| 472 | I | 97.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 95.4 | -179.2 | -56.7 | 79 | 0 | 0 | 0 | 107.4 | T104 M336 G456 W457 K470 N474 | T104-I472 HydrophobicContact CG2-CG1 4.45Å; M336-I472 VanDerWaalsContact CE-C 3.47Å; M336-I472 VanDerWaalsContact CE-O 3.25Å; M336-I472 WeakPolarHBondContact CE-O 3.14Å; G456-I472 CarbonylContact C-O 3.47Å; G456-I472 WeakPolarHBondContact CA-O 3.37Å; W457-I472 HydrophobicContact CD2-CB 4.17Å; W457-I472 HydrophobicContact CD2-CG2 4.33Å; W457-I472 HydrophobicContact CG-CB 4.34Å; W457-I472 HydrophobicContact CH2-CG2 4.04Å; W457-I472 HydrophobicContact CZ2-CB 4.19Å; W457-I472 HydrophobicContact CZ2-CG2 3.6Å; W457-I472 PolarHBondContact N-O 2.8Å; W457-I472 PolarHBondContact O-N 3.49Å; K470-I472 HydrophobicContact CB-CD1 3.76Å; I472-N474 PolarHBondContact O-N 2.87Å |
| 473 | P | 97.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | trans | -63.7 | -30.6 | -178.3 | -21.7 | 32.4 | 0 | 0 | 0 | 114.2 | T103 W122 M336 G456 I471 Y475 | T103-P473 HydrophobicContact CG2-CG 3.42Å; T103-P473 VanDerWaalsContact CG2-CG 3.42Å; W122-P473 HydrophobicContact CH2-CG 4.4Å; W122-P473 HydrophobicContact CZ2-CB 4.08Å; W122-P473 HydrophobicContact CZ2-CG 3.81Å; M336-P473 HydrophobicContact CE-CB 4.21Å; M336-P473 HydrophobicContact CE-CG 4.36Å; G456-P473 WeakPolarHBondContact CA-O 3.46Å; G456-P473 PolarHBondContact N-O 3.42Å; I471-P473 WeakPolarHBondContact O-CD 3.37Å; P473-Y475 HydrophobicContact CB-CD1 3.81Å; P473-Y475 HydrophobicContact CB-CD2 3.49Å; P473-Y475 VanDerWaalsContact CB-CD2 3.49Å; P473-Y475 HydrophobicContact CB-CE1 3.71Å; P473-Y475 HydrophobicContact CB-CE2 3.36Å; P473-Y475 HydrophobicContact CB-CG 3.72Å; P473-Y475 VanDerWaalsContact CB-CZ 3.5Å; P473-Y475 HydrophobicContact CG-CD2 4.1Å; P473-Y475 HydrophobicContact CG-CE2 3.69Å; P473-Y475 PolarHBondContact O-N 2.8Å | ||
| 474 | N | 97 | Very high | 97.5 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | trans | 53.7 | 33.8 | -174.1 | -164.2 | 37.8 | 0 | 0 | 0 | 112.3 | S454 T455 W457 I472 A477 | S454-N474 WeakPolarHBondContact CB-O 3.15Å; T455-N474 WeakPolarHBondContact O-CB 3.48Å; T455-N474 PolarHBondContact O-ND2 2.62Å; W457-N474 HydrophobicContact CH2-CB 4.31Å; W457-N474 HydrophobicContact CZ3-CB 3.9Å; I472-N474 PolarHBondContact O-N 2.87Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 2.56Å | ||
| 475 | Y | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.2 | -178.5 | -62.2 | -53.9 | 0 | 0 | 0 | 111.4 | Y111 W122 D338 V340 P473 A477 T535 T537 | Y111-Y475 HydrophobicContact CD1-CD2 4.1Å; Y111-Y475 HydrophobicContact CD1-CG 4.42Å; Y111-Y475 HydrophobicContact CD2-CD2 4.3Å; Y111-Y475 AromaticContact CG-CD2 3.89Å; Y111-Y475 HydrophobicContact CG-CD2 3.89Å; W122-Y475 AromaticContact CZ2-CZ 3.88Å; W122-Y475 WeakPolarHBondContact CZ2-OH 3.49Å; W122-Y475 PolarHBondContact NE1-OH 3.2Å; W122-Y475 VanDerWaalsContact NE1-OH 3.13Å; D338-Y475 HydrophobicContact CB-CE1 4.11Å; D338-Y475 PolarHBondContact OD2-OH 3.07Å; V340-Y475 HydrophobicContact CB-CD1 3.95Å; V340-Y475 HydrophobicContact CB-CE1 3.8Å; V340-Y475 HydrophobicContact CG1-CD1 4.06Å; V340-Y475 HydrophobicContact CG1-CE1 4.35Å; V340-Y475 HydrophobicContact CG2-CD1 3.95Å; V340-Y475 HydrophobicContact CG2-CD2 4.4Å; V340-Y475 HydrophobicContact CG2-CE1 3.92Å; V340-Y475 HydrophobicContact CG2-CE2 4.39Å; V340-Y475 HydrophobicContact CG2-CG 4.17Å; P473-Y475 HydrophobicContact CB-CD1 3.81Å; P473-Y475 HydrophobicContact CB-CD2 3.49Å; P473-Y475 VanDerWaalsContact CB-CD2 3.49Å; P473-Y475 HydrophobicContact CB-CE1 3.71Å; P473-Y475 HydrophobicContact CB-CE2 3.36Å; P473-Y475 HydrophobicContact CB-CG 3.72Å; P473-Y475 VanDerWaalsContact CB-CZ 3.5Å; P473-Y475 HydrophobicContact CG-CD2 4.1Å; P473-Y475 HydrophobicContact CG-CE2 3.69Å; P473-Y475 PolarHBondContact O-N 2.8Å; Y475-A477 PolarHBondContact O-N 2.97Å; Y475-T535 HydrophobicContact CD2-CG2 3.9Å; Y475-T535 HydrophobicContact CE2-CG2 4.16Å; Y475-T537 VanDerWaalsContact OH-CB 3.26Å; Y475-T537 WeakPolarHBondContact OH-CB 3.27Å |
| 476 | F | 97.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 28.8 | 174.6 | -38.2 | -58.4 | 0 | 0 | 0 | 113.6 | V340 S454 H478 D481 I482 L485 I531 K532 T535 | V340-F476 HydrophobicContact CG1-CE1 3.77Å; V340-F476 HydrophobicContact CG1-CZ 4.14Å; V340-F476 HydrophobicContact CG2-CE1 4.2Å; V340-F476 HydrophobicContact CG2-CZ 3.69Å; S454-F476 PolarHBondContact OG-N 3.29Å; F476-H478 PolarHBondContact O-N 2.6Å; F476-D481 HydrophobicContact CD1-CB 4.36Å; F476-I482 HydrophobicContact CB-CD1 3.94Å; F476-I482 HydrophobicContact CB-CG1 3.9Å; F476-I482 HydrophobicContact CD1-CG1 3.84Å; F476-I482 HydrophobicContact CG-CD1 4.43Å; F476-I482 HydrophobicContact CG-CG1 4.03Å; F476-L485 HydrophobicContact CE1-CD1 3.74Å; F476-L485 HydrophobicContact CZ-CD1 4.46Å; F476-I531 HydrophobicContact CD1-CG2 4.18Å; F476-I531 HydrophobicContact CE1-CG2 3.47Å; F476-I531 VanDerWaalsContact CE1-CG2 3.47Å; F476-I531 HydrophobicContact CE2-CG2 3.86Å; F476-I531 HydrophobicContact CZ-CG2 3.28Å; F476-K532 HydrophobicContact CD2-CG 4.47Å; F476-T535 HydrophobicContact CE2-CG2 3.65Å; F476-T535 HydrophobicContact CZ-CG2 3.84Å |
| 477 | A | 96.9 | Very high | 97.9 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -64 | -28.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S454 N474 Y475 | S454-A477 PolarHBondContact OG-N 3.31Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 2.56Å; Y475-A477 PolarHBondContact O-N 2.97Å |
| 478 | H | 97.7 | Very high | 98 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 43% | 0.431 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -104.6 | 128.9 | 171.7 | -65.5 | -97.4 | 0 | 0 | 0 | 110.5 | K453 S454 F476 E480 D481 | K453-H478 HydrophobicContact CB-CB 3.8Å; S454-H478 PolarHBondContact OG-N 2.79Å; F476-H478 PolarHBondContact O-N 2.6Å; H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 PolarHBondContact O-N 3.09Å; H478-D481 WeakPolarHBondContact O-CB 3.48Å; H478-D481 PolarHBondContact O-N 3.48Å |
| 479 | Q | 97.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 30.9 Ų | 30.9 | 47% | 0.472 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.2 | -32.6 | 179.6 | -178.2 | 58.5 | 48 | 0 | 0 | 112.3 | D481 I482 D483 | Q479-D481 PolarHBondContact O-N 3.33Å; Q479-D481 VanDerWaalsContact O-N 3.17Å; Q479-I482 WeakPolarHBondContact O-CB 3.45Å; Q479-I482 PolarHBondContact O-N 3.41Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact O-N 3.43Å |
| 480 | E | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 33.2 Ų | 33.2 | 53% | 0.533 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -53.5 | -35.9 | 176.5 | -69.6 | 175.3 | -159.7 | 0 | 0 | 112.9 | H478 I482 D483 V484 | H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 PolarHBondContact O-N 3.09Å; E480-I482 VanDerWaalsContact C-N 3.27Å; E480-I482 PolarHBondContact O-N 2.89Å; E480-D483 PolarHBondContact O-N 3.31Å; E480-V484 WeakPolarHBondContact O-CG2 3.25Å; E480-V484 PolarHBondContact O-N 2.5Å |
| 481 | D | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 178.1 | -69.2 | -16.8 | 0 | 0 | 0 | 111.6 | L449 K453 S454 F476 H478 Q479 L485 | L449-D481 HydrophobicContact CD2-CB 3.47Å; L449-D481 VanDerWaalsContact CD2-CB 3.47Å; K453-D481 PolarHBondContact N-OD1 2.84Å; S454-D481 WeakPolarHBondContact CB-OD2 3.46Å; S454-D481 PolarHBondContact N-OD2 3.12Å; S454-D481 PolarHBondContact OG-OD2 2.86Å; F476-D481 HydrophobicContact CD1-CB 4.36Å; H478-D481 WeakPolarHBondContact O-CB 3.48Å; H478-D481 PolarHBondContact O-N 3.48Å; Q479-D481 PolarHBondContact O-N 3.33Å; Q479-D481 VanDerWaalsContact O-N 3.17Å; D481-L485 WeakPolarHBondContact O-CG 3.38Å; D481-L485 PolarHBondContact O-N 2.96Å |
| 482 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.3 | -44.2 | 176.1 | -61.4 | 173.8 | 0 | 0 | 0 | 109.7 | F476 Q479 E480 V484 L485 V486 A528 I531 | F476-I482 HydrophobicContact CB-CD1 3.94Å; F476-I482 HydrophobicContact CB-CG1 3.9Å; F476-I482 HydrophobicContact CD1-CG1 3.84Å; F476-I482 HydrophobicContact CG-CD1 4.43Å; F476-I482 HydrophobicContact CG-CG1 4.03Å; Q479-I482 WeakPolarHBondContact O-CB 3.45Å; Q479-I482 PolarHBondContact O-N 3.41Å; E480-I482 VanDerWaalsContact C-N 3.27Å; E480-I482 PolarHBondContact O-N 2.89Å; I482-V484 VanDerWaalsContact C-N 3.34Å; I482-V484 PolarHBondContact O-N 2.71Å; I482-L485 WeakPolarHBondContact O-CB 3.21Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; I482-V486 HydrophobicContact CG2-CG2 4.2Å; I482-V486 WeakPolarHBondContact O-CG2 3.36Å; I482-V486 PolarHBondContact O-N 2.98Å; I482-A528 HydrophobicContact CG2-CB 3.58Å; I482-I531 HydrophobicContact CG2-CD1 4.06Å |
| 483 | D | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 29.5 Ų | 29.5 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.4 | -42.1 | -175.1 | -62.9 | -13.9 | 0 | 0 | 0 | 111.6 | Y392 Q479 E480 V486 E487 | Y392-D483 HydrophobicContact CE2-CB 3.95Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact O-N 3.43Å; E480-D483 PolarHBondContact O-N 3.31Å; D483-V486 PolarHBondContact O-N 2.83Å; D483-E487 PolarHBondContact O-N 3.31Å |
| 484 | V | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 9% | 0.085 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 173 | 172.9 | 0 | 0 | 0 | 0 | 111 | T390 Y392 D401 V402 L449 E480 I482 V486 E487 G488 | T390-V484 HydrophobicContact CG2-CG1 3.95Å; Y392-V484 HydrophobicContact CD2-CB 4.47Å; Y392-V484 HydrophobicContact CD2-CG2 3.69Å; Y392-V484 HydrophobicContact CE2-CG2 4.44Å; Y392-V484 HydrophobicContact CG-CG2 4.11Å; D401-V484 HydrophobicContact CB-CG1 4.36Å; V402-V484 HydrophobicContact CG2-CG1 3.71Å; L449-V484 HydrophobicContact CD1-CB 3.89Å; L449-V484 HydrophobicContact CD1-CG1 3.59Å; E480-V484 WeakPolarHBondContact O-CG2 3.25Å; E480-V484 PolarHBondContact O-N 2.5Å; I482-V484 VanDerWaalsContact C-N 3.34Å; I482-V484 PolarHBondContact O-N 2.71Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 2.91Å; V484-E487 PolarHBondContact O-N 3.09Å; V484-G488 PolarHBondContact O-N 2.89Å |
| 485 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 178 | -77.7 | 173.3 | 0 | 0 | 0 | 112.9 | P447 L449 F476 D481 I482 E487 G488 I489 I531 | P447-L485 WeakPolarHBondContact O-CD2 3.25Å; L449-L485 HydrophobicContact CB-CD1 4.33Å; L449-L485 HydrophobicContact CB-CD2 3.9Å; L449-L485 HydrophobicContact CB-CG 4.02Å; F476-L485 HydrophobicContact CE1-CD1 3.74Å; F476-L485 HydrophobicContact CZ-CD1 4.46Å; D481-L485 WeakPolarHBondContact O-CG 3.38Å; D481-L485 PolarHBondContact O-N 2.96Å; I482-L485 WeakPolarHBondContact O-CB 3.21Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; L485-E487 VanDerWaalsContact C-N 3.33Å; L485-G488 CarbonylContact O-C 3.6Å; L485-G488 WeakPolarHBondContact O-CA 3.17Å; L485-G488 PolarHBondContact O-N 3.33Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 2.91Å; L485-I531 HydrophobicContact CB-CD1 3.56Å; L485-I531 HydrophobicContact CB-CG1 4.33Å; L485-I531 HydrophobicContact CD1-CD1 4.45Å; L485-I531 HydrophobicContact CD1-CG2 3.87Å |
| 486 | V | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | I482 D483 V484 I489 K490 N524 W527 A528 I531 | I482-V486 HydrophobicContact CG2-CG2 4.2Å; I482-V486 WeakPolarHBondContact O-CG2 3.36Å; I482-V486 PolarHBondContact O-N 2.98Å; D483-V486 PolarHBondContact O-N 2.83Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 2.91Å; V486-I489 PolarHBondContact O-N 3.5Å; V486-K490 WeakPolarHBondContact O-CG 3.45Å; V486-K490 PolarHBondContact O-N 2.94Å; V486-K490 VanDerWaalsContact O-N 3.14Å; V486-N524 HydrophobicContact CG1-CB 4.25Å; V486-W527 HydrophobicContact CG1-CB 4.31Å; V486-W527 HydrophobicContact CG2-CB 3.96Å; V486-A528 HydrophobicContact CG2-CB 4.32Å; V486-I531 HydrophobicContact CG2-CD1 3.87Å |
| 487 | E | 98.7 | Very high | 98.4 | Very high | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 173.7 | -63.3 | -57.4 | 145.1 | 0 | 0 | 111.9 | T390 K391 Y392 D483 V484 L485 I489 K490 L491 | T390-E487 HydrophobicContact CG2-CB 3.81Å; K391-E487 HydrophobicContact CD-CG 4.17Å; K391-E487 HydrophobicContact CG-CG 4.31Å; K391-E487 IonicContact NZ-OE1 3.79Å; K391-E487 PolarHBondContact NZ-OE1 2.92Å; Y392-E487 HydrophobicContact CD2-CG 4.44Å; Y392-E487 HydrophobicContact CE2-CG 3.87Å; D483-E487 PolarHBondContact O-N 3.31Å; V484-E487 PolarHBondContact O-N 3.09Å; L485-E487 VanDerWaalsContact C-N 3.33Å; E487-I489 VanDerWaalsContact C-N 3.32Å; E487-I489 PolarHBondContact O-N 2.96Å; E487-K490 PolarHBondContact O-N 3.38Å; E487-K490 IonicContact OE1-NZ 3.67Å; E487-K490 PolarHBondContact OE1-NZ 3.46Å; E487-K490 IonicContact OE2-NZ 3.16Å; E487-L491 WeakPolarHBondContact O-CG 3.11Å; E487-L491 PolarHBondContact O-N 3.02Å |
| 488 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F404 V484 L485 L491 A492 | F404-G488 WeakPolarHBondContact CE1-O 3.49Å; F404-G488 VanDerWaalsContact CZ-O 3.25Å; F404-G488 WeakPolarHBondContact CZ-O 3.27Å; V484-G488 PolarHBondContact O-N 2.89Å; L485-G488 CarbonylContact O-C 3.6Å; L485-G488 WeakPolarHBondContact O-CA 3.17Å; L485-G488 PolarHBondContact O-N 3.33Å; G488-L491 PolarHBondContact O-N 3.41Å; G488-A492 PolarHBondContact O-N 2.82Å |
| 489 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 175.7 | -67.5 | 159.5 | 0 | 0 | 0 | 111 | L342 L345 P447 L485 V486 E487 L491 A492 I493 W527 I531 | L342-I489 HydrophobicContact CB-CD1 4.06Å; L342-I489 HydrophobicContact CB-CG1 4.38Å; L342-I489 HydrophobicContact CD2-CD1 3.57Å; L342-I489 HydrophobicContact CD2-CG1 3.95Å; L342-I489 HydrophobicContact CG-CD1 4.44Å; L345-I489 HydrophobicContact CD1-CG2 4.16Å; L345-I489 HydrophobicContact CD2-CG1 4.48Å; L345-I489 HydrophobicContact CD2-CG2 4.2Å; P447-I489 HydrophobicContact CG-CG1 3.83Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 2.91Å; V486-I489 PolarHBondContact O-N 3.5Å; E487-I489 VanDerWaalsContact C-N 3.32Å; E487-I489 PolarHBondContact O-N 2.96Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 3.1Å; I489-A492 WeakPolarHBondContact O-CB 3.28Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.16Å; I489-I493 HydrophobicContact CG2-CD1 3.99Å; I489-I493 WeakPolarHBondContact O-CG1 3.46Å; I489-I493 PolarHBondContact O-N 2.91Å; I489-W527 HydrophobicContact CD1-CB 4.03Å; I489-W527 HydrophobicContact CD1-CD2 4.38Å; I489-W527 HydrophobicContact CD1-CE3 4.22Å; I489-W527 HydrophobicContact CD1-CG 4.33Å; I489-W527 HydrophobicContact CG2-CD2 3.66Å; I489-W527 HydrophobicContact CG2-CE3 3.9Å; I489-W527 HydrophobicContact CG2-CG 4.1Å; I489-W527 HydrophobicContact CG2-CH2 4.3Å; I489-W527 HydrophobicContact CG2-CZ2 4.07Å; I489-W527 HydrophobicContact CG2-CZ3 4.22Å; I489-I531 HydrophobicContact CD1-CD1 3.9Å; I489-I531 HydrophobicContact CD1-CG1 3.97Å |
| 490 | K | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.1 | -67.1 | 171.5 | -171.6 | 170 | 0 | 111.6 | V486 E487 A492 I493 N494 N524 | V486-K490 WeakPolarHBondContact O-CG 3.45Å; V486-K490 PolarHBondContact O-N 2.94Å; V486-K490 VanDerWaalsContact O-N 3.14Å; E487-K490 PolarHBondContact O-N 3.38Å; E487-K490 IonicContact OE1-NZ 3.67Å; E487-K490 PolarHBondContact OE1-NZ 3.46Å; E487-K490 IonicContact OE2-NZ 3.16Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.23Å; K490-I493 PolarHBondContact O-N 3.22Å; K490-N494 PolarHBondContact O-N 2.76Å; K490-N524 WeakPolarHBondContact CE-OD1 3.4Å; K490-N524 PolarHBondContact NZ-OD1 3.48Å |
| 491 | L | 98.4 | Very high | 98.6 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.3 | -72.5 | 170.7 | 0 | 0 | 0 | 111.7 | M212 L388 F404 E487 G488 I489 N494 V495 | M212-L491 HydrophobicContact CE-CD2 4.28Å; L388-L491 HydrophobicContact CB-CD1 4.19Å; L388-L491 HydrophobicContact CD1-CB 4.38Å; L388-L491 HydrophobicContact CD1-CD1 4.28Å; F404-L491 HydrophobicContact CE2-CB 4.3Å; F404-L491 HydrophobicContact CZ-CB 3.66Å; E487-L491 WeakPolarHBondContact O-CG 3.11Å; E487-L491 PolarHBondContact O-N 3.02Å; G488-L491 PolarHBondContact O-N 3.41Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 3.1Å; L491-N494 WeakPolarHBondContact O-CB 3.48Å; L491-N494 PolarHBondContact O-N 3.46Å; L491-V495 PolarHBondContact O-N 3.39Å |
| 492 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L345 F404 I445 G488 I489 K490 N494 V495 S496 | L345-A492 HydrophobicContact CD2-CB 3.62Å; F404-A492 HydrophobicContact CE1-CB 4.21Å; F404-A492 HydrophobicContact CE2-CB 4.07Å; F404-A492 HydrophobicContact CZ-CB 3.71Å; F404-A492 VanDerWaalsContact CZ-N 3.33Å; I445-A492 HydrophobicContact CB-CB 4.08Å; I445-A492 HydrophobicContact CD1-CB 4.14Å; I445-A492 HydrophobicContact CG2-CB 3.68Å; G488-A492 PolarHBondContact O-N 2.82Å; I489-A492 WeakPolarHBondContact O-CB 3.28Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.16Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.23Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-V495 WeakPolarHBondContact O-CB 3.33Å; A492-V495 PolarHBondContact O-N 2.68Å; A492-S496 PolarHBondContact O-N 2.72Å |
| 493 | I | 98.6 | Very high | 98.5 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 172.2 | -67.5 | 165 | 0 | 0 | 0 | 110.4 | F347 I489 K490 V495 S496 N497 L508 W527 | F347-I493 HydrophobicContact CE1-CG1 4.37Å; F347-I493 HydrophobicContact CZ-CG1 4.33Å; I489-I493 HydrophobicContact CG2-CD1 3.99Å; I489-I493 WeakPolarHBondContact O-CG1 3.46Å; I489-I493 PolarHBondContact O-N 2.91Å; K490-I493 PolarHBondContact O-N 3.22Å; I493-V495 VanDerWaalsContact C-N 3.3Å; I493-V495 PolarHBondContact O-N 3.34Å; I493-S496 WeakPolarHBondContact O-CB 3.45Å; I493-S496 PolarHBondContact O-N 3.33Å; I493-S496 VanDerWaalsContact O-N 3.08Å; I493-N497 PolarHBondContact O-N 3.05Å; I493-N497 VanDerWaalsContact O-N 3.13Å; I493-N497 PolarHBondContact O-ND2 3.31Å; I493-L508 HydrophobicContact CD1-CD2 4.2Å; I493-L508 HydrophobicContact CG1-CD2 4.47Å; I493-W527 HydrophobicContact CD1-CZ2 3.68Å |
| 494 | N | 98.4 | Very high | 98.5 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61 | -38.3 | 175.5 | -70.6 | -11.5 | 0 | 0 | 0 | 112 | M212 K490 L491 A492 S496 N497 T498 | M212-N494 HydrophobicContact CE-CB 4.01Å; M212-N494 HydrophobicContact SD-CB 4.39Å; K490-N494 PolarHBondContact O-N 2.76Å; L491-N494 WeakPolarHBondContact O-CB 3.48Å; L491-N494 PolarHBondContact O-N 3.46Å; A492-N494 VanDerWaalsContact C-N 3.34Å; N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 2.79Å; N494-N497 PolarHBondContact O-N 3.4Å; N494-T498 WeakPolarHBondContact O-CG2 3.29Å; N494-T498 PolarHBondContact O-N 2.86Å |
| 495 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.9 | -46.1 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F205 A208 M212 F227 F404 W443 I445 L491 A492 I493 N497 T498 F501 | F205-V495 HydrophobicContact CD2-CG1 4.21Å; A208-V495 HydrophobicContact CB-CG1 3.87Å; M212-V495 HydrophobicContact CE-CG2 4.17Å; M212-V495 HydrophobicContact SD-CB 4.3Å; M212-V495 HydrophobicContact SD-CG2 3.55Å; M212-V495 VanDerWaalsContact SD-CG2 3.55Å; F227-V495 HydrophobicContact CE1-CG2 4.23Å; F227-V495 HydrophobicContact CZ-CG2 4.13Å; F404-V495 HydrophobicContact CE2-CG2 4.05Å; W443-V495 HydrophobicContact CH2-CG1 4.36Å; I445-V495 HydrophobicContact CD1-CB 4.01Å; I445-V495 HydrophobicContact CD1-CG1 3.88Å; I445-V495 HydrophobicContact CD1-CG2 4.24Å; L491-V495 PolarHBondContact O-N 3.39Å; A492-V495 WeakPolarHBondContact O-CB 3.33Å; A492-V495 PolarHBondContact O-N 2.68Å; I493-V495 VanDerWaalsContact C-N 3.3Å; I493-V495 PolarHBondContact O-N 3.34Å; V495-N497 PolarHBondContact O-N 3.21Å; V495-T498 PolarHBondContact O-N 3.16Å; V495-T498 PolarHBondContact O-OG1 3.15Å; V495-F501 HydrophobicContact CG1-CD2 3.85Å; V495-F501 HydrophobicContact CG1-CE2 3.48Å; V495-F501 VanDerWaalsContact CG1-CE2 3.48Å; V495-F501 HydrophobicContact CG1-CZ 4.3Å; V495-F501 VanDerWaalsContact O-CD2 3.31Å; V495-F501 WeakPolarHBondContact O-CD2 3.46Å |
| 496 | S | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -28.4 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | F347 A492 I493 N494 F501 Q502 S506 | F347-S496 VanDerWaalsContact CD1-CB 3.44Å; F347-S496 WeakPolarHBondContact CD1-OG 3.13Å; F347-S496 VanDerWaalsContact CE1-CB 3.45Å; A492-S496 PolarHBondContact O-N 2.72Å; I493-S496 WeakPolarHBondContact O-CB 3.45Å; I493-S496 PolarHBondContact O-N 3.33Å; I493-S496 VanDerWaalsContact O-N 3.08Å; N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 2.79Å; S496-F501 WeakPolarHBondContact O-CB 3.46Å; S496-Q502 PolarHBondContact O-NE2 2.75Å; S496-S506 WeakPolarHBondContact OG-CB 3.42Å; S496-S506 PolarHBondContact OG-OG 3.31Å |
| 497 | N | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 42 Ų | 42 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -85.2 | -7.2 | -177.2 | -67.2 | -22.2 | 0 | 0 | 0 | 113.4 | I493 N494 V495 | I493-N497 PolarHBondContact O-N 3.05Å; I493-N497 VanDerWaalsContact O-N 3.13Å; I493-N497 PolarHBondContact O-ND2 3.31Å; N494-N497 PolarHBondContact O-N 3.4Å; V495-N497 PolarHBondContact O-N 3.21Å |
| 498 | T | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -65.3 | 155 | 173.7 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | A208 E211 M212 N494 V495 A500 F501 Q502 | A208-T498 HydrophobicContact CB-CG2 3.82Å; A208-T498 WeakPolarHBondContact CB-OG1 3.46Å; E211-T498 HydrophobicContact CB-CG2 4.2Å; E211-T498 WeakPolarHBondContact OE2-CB 3.43Å; M212-T498 HydrophobicContact CG-CG2 3.87Å; M212-T498 HydrophobicContact SD-CG2 4.13Å; N494-T498 WeakPolarHBondContact O-CG2 3.29Å; N494-T498 PolarHBondContact O-N 2.86Å; V495-T498 PolarHBondContact O-N 3.16Å; V495-T498 PolarHBondContact O-OG1 3.15Å; T498-A500 PolarHBondContact O-N 2.96Å; T498-F501 PolarHBondContact O-N 3.1Å; T498-F501 VanDerWaalsContact O-N 3.12Å; T498-Q502 WeakPolarHBondContact O-CB 3.45Å; T498-Q502 VanDerWaalsContact O-CG 3.3Å; T498-Q502 WeakPolarHBondContact O-CG 3.31Å; T498-Q502 PolarHBondContact O-N 2.66Å |
| 499 | Q | 98.5 | Very high | 98.3 | Very high | 155 Ų | 155 | 42.7 Ų | 42.7 | 72% | 0.724 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -58.6 | -38.2 | 177.3 | -58.5 | -178.6 | 24.3 | 0 | 0 | 111.1 | E211 F501 Q502 R503 | E211-Q499 WeakPolarHBondContact OE2-CB 3.29Å; E211-Q499 PolarHBondContact OE2-N 3.12Å; Q499-F501 PolarHBondContact O-N 2.99Å; Q499-Q502 PolarHBondContact O-N 3.36Å; Q499-R503 PolarHBondContact O-N 3.05Å; Q499-R503 VanDerWaalsContact O-N 3.08Å |
| 500 | A | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.8 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A204 Q207 A208 E211 T498 R503 | A204-A500 HydrophobicContact CB-CB 4.35Å; A204-A500 WeakPolarHBondContact O-CB 3.3Å; Q207-A500 HydrophobicContact CB-CB 3.64Å; A208-A500 HydrophobicContact CB-CB 4.33Å; E211-A500 WeakPolarHBondContact OE1-CB 3.36Å; E211-A500 PolarHBondContact OE1-N 2.93Å; T498-A500 PolarHBondContact O-N 2.96Å; A500-R503 WeakPolarHBondContact O-CG 3.43Å; A500-R503 PolarHBondContact O-NE 2.93Å |
| 501 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -96.2 | -34.3 | 176.3 | -87.4 | -82.1 | 0 | 0 | 0 | 113.4 | L201 A204 F205 A208 F406 W443 V495 S496 T498 Q499 R503 F504 S506 | L201-F501 HydrophobicContact CD2-CD1 4.33Å; L201-F501 HydrophobicContact CD2-CE1 3.95Å; A204-F501 HydrophobicContact CB-CE2 4.39Å; A204-F501 HydrophobicContact CB-CZ 4.45Å; F205-F501 HydrophobicContact CB-CE2 4.35Å; F205-F501 HydrophobicContact CB-CZ 4.28Å; A208-F501 HydrophobicContact CB-CD2 3.9Å; A208-F501 HydrophobicContact CB-CE2 3.99Å; F406-F501 HydrophobicContact CD2-CZ 4.34Å; F406-F501 HydrophobicContact CE2-CE1 4.04Å; F406-F501 AromaticContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CZ-CE1 4.47Å; F406-F501 HydrophobicContact CZ-CZ 4.21Å; W443-F501 HydrophobicContact CD2-CD1 4.42Å; W443-F501 AromaticContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CZ 4.48Å; W443-F501 AromaticContact CE2-CD1 3.56Å; W443-F501 AromaticContact CE2-CE1 3.39Å; W443-F501 HydrophobicContact CE3-CE1 4.35Å; W443-F501 HydrophobicContact CG-CE1 4.24Å; W443-F501 HydrophobicContact CH2-CD1 4.44Å; W443-F501 HydrophobicContact CH2-CE1 4.21Å; W443-F501 HydrophobicContact CH2-CZ 4.37Å; W443-F501 AromaticContact CZ2-CD1 3.56Å; W443-F501 HydrophobicContact CZ2-CD1 3.56Å; W443-F501 AromaticContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CG 4.13Å; W443-F501 HydrophobicContact CZ2-CZ 4.2Å; W443-F501 AromaticContact NE1-CD1 3.6Å; W443-F501 AromaticContact NE1-CE1 3.66Å; V495-F501 HydrophobicContact CG1-CD2 3.85Å; V495-F501 HydrophobicContact CG1-CE2 3.48Å; V495-F501 VanDerWaalsContact CG1-CE2 3.48Å; V495-F501 HydrophobicContact CG1-CZ 4.3Å; V495-F501 VanDerWaalsContact O-CD2 3.31Å; V495-F501 WeakPolarHBondContact O-CD2 3.46Å; S496-F501 WeakPolarHBondContact O-CB 3.46Å; T498-F501 PolarHBondContact O-N 3.1Å; T498-F501 VanDerWaalsContact O-N 3.12Å; Q499-F501 PolarHBondContact O-N 2.99Å; F501-R503 PolarHBondContact O-N 2.48Å; F501-F504 PolarHBondContact O-N 3.03Å; F501-S506 WeakPolarHBondContact O-CB 3.45Å; F501-S506 PolarHBondContact O-N 3.17Å |
| 502 | Q | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 43% | 0.425 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -29.6 | 178.4 | -74.1 | -57.6 | -54.6 | 0 | 0 | 112.5 | S496 T498 Q499 F504 G505 S506 | S496-Q502 PolarHBondContact O-NE2 2.75Å; T498-Q502 WeakPolarHBondContact O-CB 3.45Å; T498-Q502 VanDerWaalsContact O-CG 3.3Å; T498-Q502 WeakPolarHBondContact O-CG 3.31Å; T498-Q502 PolarHBondContact O-N 2.66Å; Q499-Q502 PolarHBondContact O-N 3.36Å; Q502-F504 PolarHBondContact O-N 2.93Å; Q502-G505 PolarHBondContact O-N 3.01Å; Q502-S506 PolarHBondContact NE2-O 2.62Å |
| 503 | R | 97.5 | Very high | 98 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.2 | 172.5 | 78 | -174.8 | -172.1 | -179.1 | -3 | 114.3 | Q499 A500 F501 | Q499-R503 PolarHBondContact O-N 3.05Å; Q499-R503 VanDerWaalsContact O-N 3.08Å; A500-R503 WeakPolarHBondContact O-CG 3.43Å; A500-R503 PolarHBondContact O-NE 2.93Å; F501-R503 PolarHBondContact O-N 2.48Å |
| 504 | F | 97.8 | Very high | 97.9 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 10.1 | 175.8 | -56.3 | -58.7 | 0 | 0 | 0 | 113.1 | L201 A204 V349 D350 A351 L353 F501 Q502 S506 | L201-F504 HydrophobicContact CD2-CD2 3.67Å; L201-F504 HydrophobicContact CD2-CE2 3.78Å; L201-F504 HydrophobicContact CD2-CG 4.45Å; A204-F504 HydrophobicContact CB-CE2 3.9Å; V349-F504 WeakPolarHBondContact CA-O 3.43Å; V349-F504 HydrophobicContact CB-CB 4.26Å; V349-F504 WeakPolarHBondContact CB-O 3.17Å; V349-F504 HydrophobicContact CG1-CB 4.12Å; D350-F504 PolarHBondContact N-O 3.39Å; A351-F504 HydrophobicContact CB-CD1 4.08Å; L353-F504 HydrophobicContact CD2-CD1 3.51Å; L353-F504 HydrophobicContact CD2-CD2 4.44Å; L353-F504 HydrophobicContact CD2-CE1 3.37Å; L353-F504 HydrophobicContact CD2-CE2 4.31Å; L353-F504 HydrophobicContact CD2-CG 4.04Å; L353-F504 HydrophobicContact CD2-CZ 3.78Å; F501-F504 PolarHBondContact O-N 3.03Å; Q502-F504 PolarHBondContact O-N 2.93Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 2.84Å |
| 505 | G | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 26.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q502 R507 | Q502-G505 PolarHBondContact O-N 3.01Å; G505-R507 PolarHBondContact O-N 3.29Å; G505-R507 PolarHBondContact O-NH1 3.4Å |
| 506 | S | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -60.6 | 128.9 | -175.3 | -168 | 0 | 0 | 0 | 0 | 112.4 | V348 W443 S496 F501 Q502 F504 | V348-S506 CarbonylContact O-C 3.58Å; V348-S506 VanDerWaalsContact O-CA 3.3Å; V348-S506 WeakPolarHBondContact O-CA 3.41Å; W443-S506 VanDerWaalsContact CZ2-OG 3.26Å; W443-S506 WeakPolarHBondContact CZ2-OG 3.33Å; W443-S506 PolarHBondContact NE1-OG 3.27Å; S496-S506 WeakPolarHBondContact OG-CB 3.42Å; S496-S506 PolarHBondContact OG-OG 3.31Å; F501-S506 WeakPolarHBondContact O-CB 3.45Å; F501-S506 PolarHBondContact O-N 3.17Å; Q502-S506 PolarHBondContact NE2-O 2.62Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 2.84Å | ||
| 507 | R | 98.2 | Very high | 97.7 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.8 | 179.3 | 59.1 | -168.3 | 173.7 | -86 | 5.3 | 111.6 | F347 V348 D350 G505 H509 | F347-R507 CarbonylContact C-O 3.49Å; F347-R507 WeakPolarHBondContact CA-O 3.41Å; V348-R507 HydrophobicContact CB-CG 4.24Å; V348-R507 PolarHBondContact N-O 2.77Å; V348-R507 PolarHBondContact O-N 3.08Å; D350-R507 VanDerWaalsContact CG-NH1 3.28Å; D350-R507 IonicContact OD1-CZ 3.83Å; D350-R507 VanDerWaalsContact OD1-CZ 3.3Å; D350-R507 IonicContact OD1-NH1 2.9Å; D350-R507 PolarHBondContact OD1-NH1 3.29Å; D350-R507 IonicContact OD1-NH2 3.84Å; D350-R507 PolarHBondContact OD1-NH2 3.43Å; D350-R507 IonicContact OD2-NH1 2.91Å; D350-R507 PolarHBondContact OD2-NH1 3.07Å; D350-R507 VanDerWaalsContact OD2-NH1 3.11Å; G505-R507 PolarHBondContact O-N 3.29Å; G505-R507 PolarHBondContact O-NH1 3.4Å; R507-H509 PolarHBondContact O-N 2.77Å |
| 508 | L | 98.2 | Very high | 97.6 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 134.9 | 175.9 | 180 | 66.3 | 0 | 0 | 0 | 110.6 | L345 F347 I493 N510 F521 Q522 W527 | L345-L508 HydrophobicContact CD1-CD1 3.8Å; F347-L508 HydrophobicContact CD1-CB 4.25Å; F347-L508 HydrophobicContact CD1-CD1 4.28Å; F347-L508 HydrophobicContact CE1-CB 4.19Å; F347-L508 HydrophobicContact CE1-CD1 3.86Å; F347-L508 HydrophobicContact CZ-CD1 4.17Å; I493-L508 HydrophobicContact CD1-CD2 4.2Å; I493-L508 HydrophobicContact CG1-CD2 4.47Å; L508-N510 PolarHBondContact O-N 2.83Å; L508-F521 HydrophobicContact CD2-CE1 4.43Å; L508-F521 HydrophobicContact CD2-CZ 4.06Å; L508-Q522 HydrophobicContact CD2-CG 3.97Å; L508-W527 HydrophobicContact CD1-CH2 4.37Å; L508-W527 HydrophobicContact CD2-CH2 3.93Å; L508-W527 HydrophobicContact CD2-CZ2 3.89Å |
| 509 | H | 97.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | trans | -61.2 | 122.4 | 170 | 175 | -114.9 | 0 | 0 | 0 | 110.8 | T346 V433 L437 R507 I511 | T346-H509 HydrophobicContact CG2-CB 4.3Å; T346-H509 WeakPolarHBondContact O-CB 3.42Å; T346-H509 PolarHBondContact O-N 3.2Å; V433-H509 PolarHBondContact O-CE1 3.11Å; V433-H509 PolarHBondContact O-NE2 3.48Å; L437-H509 VanDerWaalsContact CD1-CD2 3.5Å; L437-H509 WeakPolarHBondContact CD1-CD2 3.42Å; R507-H509 PolarHBondContact O-N 2.77Å; H509-I511 WeakPolarHBondContact NE2-CG1 3.23Å | ||
| 510 | N | 96.2 | Very high | 97.6 | Very high | 117 Ų | 117 | 55.7 Ų | 55.7 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | trans | -104.1 | 3.7 | -164.2 | 68.5 | -8.3 | 0 | 0 | 0 | 115.3 | L508 P512 F521 | L508-N510 PolarHBondContact O-N 2.83Å; N510-P512 WeakPolarHBondContact O-CD 3.21Å; N510-F521 HydrophobicContact CB-CE1 4.36Å; N510-F521 HydrophobicContact CB-CZ 4.34Å | ||
| 511 | I | 97.2 | Very high | 97.6 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -77.5 | 115.9 | 172.3 | -57 | 177.1 | 0 | 0 | 0 | 108.4 | P436 H509 | P436-I511 HydrophobicContact CB-CD1 3.84Å; P436-I511 HydrophobicContact CG-CD1 3.78Å; H509-I511 WeakPolarHBondContact NE2-CG1 3.23Å |
| 512 | P | 97 | Very high | 97.6 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | trans | -70.3 | 145.4 | -177.4 | -17.6 | 32.2 | 0 | 0 | 0 | 112.2 | N510 R517 F521 Y526 | N510-P512 WeakPolarHBondContact O-CD 3.21Å; P512-R517 HydrophobicContact CB-CG 4.09Å; P512-F521 HydrophobicContact CB-CD2 4.28Å; P512-F521 HydrophobicContact CG-CD2 4.06Å; P512-F521 HydrophobicContact CG-CE2 4.49Å; P512-Y526 WeakPolarHBondContact CA-OH 3.34Å; P512-Y526 HydrophobicContact CB-CE2 3.96Å | ||
| 513 | L | 97.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | trans | -61.6 | 134 | 177.1 | -60.3 | -164.2 | 0 | 0 | 0 | 110.5 | F429 V433 G515 C516 R517 Y526 C530 E533 F534 | F429-L513 HydrophobicContact CE2-CB 4.34Å; F429-L513 HydrophobicContact CE2-CD1 4.23Å; F429-L513 HydrophobicContact CE2-CD2 3.95Å; F429-L513 HydrophobicContact CE2-CG 4.4Å; F429-L513 HydrophobicContact CZ-CD1 4.15Å; F429-L513 HydrophobicContact CZ-CD2 3.77Å; F429-L513 HydrophobicContact CZ-CG 4.49Å; V433-L513 HydrophobicContact CB-CD2 4.48Å; V433-L513 HydrophobicContact CG1-CD2 3.74Å; V433-L513 HydrophobicContact CG2-CD2 3.88Å; L513-G515 VanDerWaalsContact C-N 3.3Å; L513-G515 PolarHBondContact O-N 2.91Å; L513-C516 HydrophobicContact CB-CB 4.49Å; L513-C516 PolarHBondContact O-N 2.92Å; L513-R517 PolarHBondContact O-N 3.25Å; L513-Y526 PolarHBondContact N-OH 3.19Å; L513-C530 HydrophobicContact CD1-CB 3.87Å; L513-E533 VanDerWaalsContact CB-OE2 3.31Å; L513-E533 WeakPolarHBondContact CB-OE2 3.42Å; L513-E533 HydrophobicContact CD1-CB 4.35Å; L513-E533 HydrophobicContact CD1-CG 4.45Å; L513-F534 HydrophobicContact CD1-CB 4.21Å | ||
| 514 | P | 96.5 | Very high | 97.6 | Very high | 46 Ų | 46 | 57 Ų | 57 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -52 | -42 | -172.5 | -29.5 | 36 | 0 | 0 | 0 | 114.9 | F429 T432 V433 C516 | F429-P514 HydrophobicContact CD2-CG 4.33Å; T432-P514 HydrophobicContact CG2-CG 3.99Å; V433-P514 HydrophobicContact CG2-CG 4.32Å; P514-C516 VanDerWaalsContact C-N 3.26Å; P514-C516 PolarHBondContact O-N 3.35Å |
| 515 | G | 95.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -70.7 | -17.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L513 H518 E533 | L513-G515 VanDerWaalsContact C-N 3.3Å; L513-G515 PolarHBondContact O-N 2.91Å; G515-H518 PolarHBondContact O-CE1 3.13Å; G515-H518 PolarHBondContact O-ND1 3.41Å; G515-E533 WeakPolarHBondContact CA-OE2 3.43Å; G515-E533 VanDerWaalsContact N-CD 3.31Å; G515-E533 PolarHBondContact N-OE1 3.12Å; G515-E533 PolarHBondContact N-OE2 3.3Å |
| 516 | C | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -113 | 5 | -174.3 | -54.1 | 0 | 0 | 0 | 0 | 114.6 | L513 P514 H518 L519 Y526 C529 C530 E533 | L513-C516 HydrophobicContact CB-CB 4.49Å; L513-C516 PolarHBondContact O-N 2.92Å; P514-C516 VanDerWaalsContact C-N 3.26Å; P514-C516 PolarHBondContact O-N 3.35Å; C516-H518 PolarHBondContact O-N 3.03Å; C516-H518 VanDerWaalsContact O-N 3.13Å; C516-L519 PolarHBondContact O-N 3.43Å; C516-L519 VanDerWaalsContact O-N 3.09Å; C516-Y526 HydrophobicContact CB-CD2 3.82Å; C516-Y526 HydrophobicContact CB-CE2 3.77Å; C516-C529 WeakPolarHBondContact CA-SG 3.45Å; C516-C529 HydrophobicContact CB-CB 3.82Å; C516-C529 WeakPolarHBondContact CB-SG 3.17Å; C516-C529 WeakPolarHBondContact SG-CB 3.31Å; C516-C529 CovalentContact SG-SG 2.04Å; C516-C529 PolarHBondContact SG-SG 3.11Å; C516-C530 PolarHBondContact SG-N 3.42Å; C516-C530 VanDerWaalsContact SG-N 3.39Å; C516-E533 PolarHBondContact N-OE2 3.06Å; C516-E533 PolarHBondContact SG-OE2 3.27Å |
| 517 | R | 97.3 | Very high | 97.7 | Very high | 140 Ų | 140 | 60.7 Ų | 60.7 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.6 | -177.8 | -75.1 | 174.1 | 179.7 | -178.3 | -3.3 | 115.8 | P512 L513 L519 | P512-R517 HydrophobicContact CB-CG 4.09Å; L513-R517 PolarHBondContact O-N 3.25Å; R517-L519 PolarHBondContact O-N 3.1Å |
| 518 | H | 97.7 | Very high | 97.7 | Very high | 146 Ų | 146 | 56.1 Ų | 56.1 | 68% | 0.676 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8 | 179.8 | 62.8 | -79.9 | 0 | 0 | 0 | 112.6 | G515 C516 | G515-H518 PolarHBondContact O-CE1 3.13Å; G515-H518 PolarHBondContact O-ND1 3.41Å; C516-H518 PolarHBondContact O-N 3.03Å; C516-H518 VanDerWaalsContact O-N 3.13Å |
| 519 | L | 98.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -102.7 | 148 | 179.6 | -59.2 | 168.4 | 0 | 0 | 0 | 110.3 | C516 R517 F521 E525 Y526 C529 | C516-L519 PolarHBondContact O-N 3.43Å; C516-L519 VanDerWaalsContact O-N 3.09Å; R517-L519 PolarHBondContact O-N 3.1Å; L519-F521 PolarHBondContact O-N 2.84Å; L519-E525 HydrophobicContact CD1-CB 4.36Å; L519-E525 WeakPolarHBondContact CD1-O 3.18Å; L519-E525 HydrophobicContact CD2-CB 4.18Å; L519-Y526 HydrophobicContact CB-CD2 4.43Å; L519-C529 HydrophobicContact CD1-CB 3.53Å |
| 520 | P | 98.2 | Very high | 97.8 | Very high | 94 Ų | 94 | 55 Ų | 55 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -58 | 127.5 | 175.5 | -22.4 | 33 | 0 | 0 | 0 | 111.1 | Q522 S523 Y526 | P520-Q522 PolarHBondContact O-N 2.79Å; P520-S523 VanDerWaalsContact O-CB 3.26Å; P520-S523 WeakPolarHBondContact O-CB 3.24Å; P520-S523 PolarHBondContact O-N 2.84Å; P520-S523 VanDerWaalsContact O-N 3.09Å; P520-S523 PolarHBondContact O-OG 3.09Å; P520-Y526 VanDerWaalsContact O-CB 3.23Å; P520-Y526 WeakPolarHBondContact O-CB 3.45Å |
| 521 | F | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 135.3 | -177.4 | -175.1 | -116.6 | 0 | 0 | 0 | 111.4 | L508 N510 P512 L519 S523 Y526 | L508-F521 HydrophobicContact CD2-CE1 4.43Å; L508-F521 HydrophobicContact CD2-CZ 4.06Å; N510-F521 HydrophobicContact CB-CE1 4.36Å; N510-F521 HydrophobicContact CB-CZ 4.34Å; P512-F521 HydrophobicContact CB-CD2 4.28Å; P512-F521 HydrophobicContact CG-CD2 4.06Å; P512-F521 HydrophobicContact CG-CE2 4.49Å; L519-F521 PolarHBondContact O-N 2.84Å; F521-S523 PolarHBondContact O-N 2.96Å; F521-Y526 HydrophobicContact CD2-CD1 4.39Å; F521-Y526 AromaticContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE2 4.15Å; F521-Y526 AromaticContact CD2-CZ 3.7Å; F521-Y526 AromaticContact CE2-CE1 3.87Å; F521-Y526 HydrophobicContact CE2-CE1 3.87Å; F521-Y526 AromaticContact CE2-CZ 3.85Å |
| 522 | Q | 97.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 8.6 | -175.3 | -50 | -172.5 | 51.4 | 0 | 0 | 117.1 | L508 P520 W527 | L508-Q522 HydrophobicContact CD2-CG 3.97Å; P520-Q522 PolarHBondContact O-N 2.79Å; Q522-W527 HydrophobicContact CB-CZ2 4.19Å; Q522-W527 HydrophobicContact CG-CZ2 3.87Å; Q522-W527 PolarHBondContact O-NE1 2.86Å |
| 523 | S | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -65.7 | 162 | 167.5 | 62.7 | 0 | 0 | 0 | 0 | 112 | P520 F521 E525 Y526 W527 | P520-S523 VanDerWaalsContact O-CB 3.26Å; P520-S523 WeakPolarHBondContact O-CB 3.24Å; P520-S523 PolarHBondContact O-N 2.84Å; P520-S523 VanDerWaalsContact O-N 3.09Å; P520-S523 PolarHBondContact O-OG 3.09Å; F521-S523 PolarHBondContact O-N 2.96Å; S523-E525 WeakPolarHBondContact CB-OE2 3.33Å; S523-E525 PolarHBondContact O-N 2.85Å; S523-Y526 PolarHBondContact O-N 2.9Å; S523-Y526 VanDerWaalsContact OG-CB 3.26Å; S523-Y526 WeakPolarHBondContact OG-CB 3.38Å; S523-Y526 PolarHBondContact OG-N 3.29Å; S523-Y526 VanDerWaalsContact OG-N 3.08Å; S523-W527 PolarHBondContact O-N 2.9Å |
| 524 | N | 98.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 39% | 0.39 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 174.7 | -70 | -15.7 | 0 | 0 | 0 | 110.7 | V486 K490 W527 A528 | V486-N524 HydrophobicContact CG1-CB 4.25Å; K490-N524 WeakPolarHBondContact CE-OD1 3.4Å; K490-N524 PolarHBondContact NZ-OD1 3.48Å; N524-W527 PolarHBondContact O-N 2.98Å; N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 2.8Å |
| 525 | E | 98.5 | Very high | 98 | Very high | 113 Ų | 113 | 46.1 Ų | 46.1 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 179.1 | -61.4 | 68.8 | -149.5 | 0 | 0 | 110.5 | L519 S523 A528 C529 | L519-E525 HydrophobicContact CD1-CB 4.36Å; L519-E525 WeakPolarHBondContact CD1-O 3.18Å; L519-E525 HydrophobicContact CD2-CB 4.18Å; S523-E525 WeakPolarHBondContact CB-OE2 3.33Å; S523-E525 PolarHBondContact O-N 2.85Å; E525-A528 PolarHBondContact O-N 3.41Å; E525-C529 WeakPolarHBondContact O-CB 3.21Å; E525-C529 PolarHBondContact O-N 3.47Å |
| 526 | Y | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 174.9 | 174 | -95.6 | 0 | 0 | 0 | 111.7 | P512 L513 C516 L519 P520 F521 S523 C529 C530 | P512-Y526 WeakPolarHBondContact CA-OH 3.34Å; P512-Y526 HydrophobicContact CB-CE2 3.96Å; L513-Y526 PolarHBondContact N-OH 3.19Å; C516-Y526 HydrophobicContact CB-CD2 3.82Å; C516-Y526 HydrophobicContact CB-CE2 3.77Å; L519-Y526 HydrophobicContact CB-CD2 4.43Å; P520-Y526 VanDerWaalsContact O-CB 3.23Å; P520-Y526 WeakPolarHBondContact O-CB 3.45Å; F521-Y526 HydrophobicContact CD2-CD1 4.39Å; F521-Y526 AromaticContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE2 4.15Å; F521-Y526 AromaticContact CD2-CZ 3.7Å; F521-Y526 AromaticContact CE2-CE1 3.87Å; F521-Y526 HydrophobicContact CE2-CE1 3.87Å; F521-Y526 AromaticContact CE2-CZ 3.85Å; S523-Y526 PolarHBondContact O-N 2.9Å; S523-Y526 VanDerWaalsContact OG-CB 3.26Å; S523-Y526 WeakPolarHBondContact OG-CB 3.38Å; S523-Y526 PolarHBondContact OG-N 3.29Å; S523-Y526 VanDerWaalsContact OG-N 3.08Å; Y526-C529 WeakPolarHBondContact O-CB 3.43Å; Y526-C529 PolarHBondContact O-N 2.75Å; Y526-C530 WeakPolarHBondContact CE1-SG 3.5Å; Y526-C530 PolarHBondContact O-N 3.16Å; Y526-C530 PolarHBondContact O-SG 3.24Å |
| 527 | W | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 178.4 | -68.6 | 128.4 | 0 | 0 | 0 | 112.8 | L342 L345 V486 I489 I493 L508 Q522 S523 N524 C529 C530 I531 | L342-W527 HydrophobicContact CD2-CE3 4.07Å; L342-W527 HydrophobicContact CD2-CZ3 4.09Å; L345-W527 HydrophobicContact CD1-CH2 4.09Å; L345-W527 HydrophobicContact CD1-CZ3 4.17Å; V486-W527 HydrophobicContact CG1-CB 4.31Å; V486-W527 HydrophobicContact CG2-CB 3.96Å; I489-W527 HydrophobicContact CD1-CB 4.03Å; I489-W527 HydrophobicContact CD1-CD2 4.38Å; I489-W527 HydrophobicContact CD1-CE3 4.22Å; I489-W527 HydrophobicContact CD1-CG 4.33Å; I489-W527 HydrophobicContact CG2-CD2 3.66Å; I489-W527 HydrophobicContact CG2-CE3 3.9Å; I489-W527 HydrophobicContact CG2-CG 4.1Å; I489-W527 HydrophobicContact CG2-CH2 4.3Å; I489-W527 HydrophobicContact CG2-CZ2 4.07Å; I489-W527 HydrophobicContact CG2-CZ3 4.22Å; I493-W527 HydrophobicContact CD1-CZ2 3.68Å; L508-W527 HydrophobicContact CD1-CH2 4.37Å; L508-W527 HydrophobicContact CD2-CH2 3.93Å; L508-W527 HydrophobicContact CD2-CZ2 3.89Å; Q522-W527 HydrophobicContact CB-CZ2 4.19Å; Q522-W527 HydrophobicContact CG-CZ2 3.87Å; Q522-W527 PolarHBondContact O-NE1 2.86Å; S523-W527 PolarHBondContact O-N 2.9Å; N524-W527 PolarHBondContact O-N 2.98Å; W527-C529 VanDerWaalsContact C-N 3.27Å; W527-C529 PolarHBondContact O-N 3.35Å; W527-C530 HydrophobicContact CE3-CB 4.19Å; W527-C530 WeakPolarHBondContact O-CB 3.45Å; W527-C530 PolarHBondContact O-N 3Å; W527-C530 VanDerWaalsContact O-N 3.13Å; W527-I531 WeakPolarHBondContact O-CD1 3.48Å; W527-I531 VanDerWaalsContact O-CG1 3.31Å; W527-I531 WeakPolarHBondContact O-CG1 3.25Å; W527-I531 PolarHBondContact O-N 2.83Å |
| 528 | A | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | I482 V486 N524 E525 | I482-A528 HydrophobicContact CG2-CB 3.58Å; V486-A528 HydrophobicContact CG2-CB 4.32Å; N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 2.8Å; E525-A528 PolarHBondContact O-N 3.41Å |
| 529 | C | 98.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | 172.6 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | C516 L519 E525 Y526 W527 I531 K532 E533 | C516-C529 WeakPolarHBondContact CA-SG 3.45Å; C516-C529 HydrophobicContact CB-CB 3.82Å; C516-C529 WeakPolarHBondContact CB-SG 3.17Å; C516-C529 WeakPolarHBondContact SG-CB 3.31Å; C516-C529 CovalentContact SG-SG 2.04Å; C516-C529 PolarHBondContact SG-SG 3.11Å; L519-C529 HydrophobicContact CD1-CB 3.53Å; E525-C529 WeakPolarHBondContact O-CB 3.21Å; E525-C529 PolarHBondContact O-N 3.47Å; Y526-C529 WeakPolarHBondContact O-CB 3.43Å; Y526-C529 PolarHBondContact O-N 2.75Å; W527-C529 VanDerWaalsContact C-N 3.27Å; W527-C529 PolarHBondContact O-N 3.35Å; C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 2.7Å; C529-K532 PolarHBondContact O-N 3.07Å; C529-K532 VanDerWaalsContact O-N 3.09Å; C529-E533 PolarHBondContact O-N 2.97Å |
| 530 | C | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -39.1 | -179.6 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | L342 L513 C516 Y526 W527 K532 E533 F534 | L342-C530 HydrophobicContact CD1-CB 3.84Å; L342-C530 WeakPolarHBondContact CD1-O 3.5Å; L342-C530 HydrophobicContact CD2-CB 4.44Å; L513-C530 HydrophobicContact CD1-CB 3.87Å; C516-C530 PolarHBondContact SG-N 3.42Å; C516-C530 VanDerWaalsContact SG-N 3.39Å; Y526-C530 WeakPolarHBondContact CE1-SG 3.5Å; Y526-C530 PolarHBondContact O-N 3.16Å; Y526-C530 PolarHBondContact O-SG 3.24Å; W527-C530 HydrophobicContact CE3-CB 4.19Å; W527-C530 WeakPolarHBondContact O-CB 3.45Å; W527-C530 PolarHBondContact O-N 3Å; W527-C530 VanDerWaalsContact O-N 3.13Å; C530-K532 VanDerWaalsContact C-N 3.31Å; C530-K532 PolarHBondContact O-N 3.11Å; C530-E533 PolarHBondContact O-N 2.99Å; C530-F534 PolarHBondContact O-N 2.84Å |
| 531 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 177.8 | -70.5 | 158.5 | 0 | 0 | 0 | 111.5 | L342 F476 I482 L485 V486 I489 W527 C529 T535 | L342-I531 HydrophobicContact CB-CG1 4.17Å; F476-I531 HydrophobicContact CD1-CG2 4.18Å; F476-I531 HydrophobicContact CE1-CG2 3.47Å; F476-I531 VanDerWaalsContact CE1-CG2 3.47Å; F476-I531 HydrophobicContact CE2-CG2 3.86Å; F476-I531 HydrophobicContact CZ-CG2 3.28Å; I482-I531 HydrophobicContact CG2-CD1 4.06Å; L485-I531 HydrophobicContact CB-CD1 3.56Å; L485-I531 HydrophobicContact CB-CG1 4.33Å; L485-I531 HydrophobicContact CD1-CD1 4.45Å; L485-I531 HydrophobicContact CD1-CG2 3.87Å; V486-I531 HydrophobicContact CG2-CD1 3.87Å; I489-I531 HydrophobicContact CD1-CD1 3.9Å; I489-I531 HydrophobicContact CD1-CG1 3.97Å; W527-I531 WeakPolarHBondContact O-CD1 3.48Å; W527-I531 VanDerWaalsContact O-CG1 3.31Å; W527-I531 WeakPolarHBondContact O-CG1 3.25Å; W527-I531 PolarHBondContact O-N 2.83Å; C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 2.7Å; I531-T535 VanDerWaalsContact O-CA 3.25Å; I531-T535 WeakPolarHBondContact O-CA 3.19Å; I531-T535 PolarHBondContact O-N 3.21Å; I531-T535 PolarHBondContact O-OG1 2.92Å |
| 532 | K | 97.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 26 Ų | 26 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -75 | -37.5 | 176.9 | -61.1 | 179.8 | -175.1 | 176.6 | 0 | 111.8 | Q110 Y111 C112 Q113 F476 C529 C530 T535 | Q110-K532 WeakPolarHBondContact O-CB 3.28Å; Q110-K532 WeakPolarHBondContact O-CG 3.42Å; Y111-K532 CarbonylContact C-O 3.47Å; C112-K532 PolarHBondContact N-O 3.02Å; Q113-K532 WeakPolarHBondContact CG-O 3.49Å; Q113-K532 PolarHBondContact N-O 3.28Å; F476-K532 HydrophobicContact CD2-CG 4.47Å; C529-K532 PolarHBondContact O-N 3.07Å; C529-K532 VanDerWaalsContact O-N 3.09Å; C530-K532 VanDerWaalsContact C-N 3.31Å; C530-K532 PolarHBondContact O-N 3.11Å; K532-T535 PolarHBondContact O-OG1 2.86Å |
| 533 | E | 97.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.2 | -60 | 179.9 | -171.6 | 168.7 | -179.9 | 0 | 0 | 110.8 | Q113 A114 F429 L513 G515 C516 C529 C530 | Q113-E533 PolarHBondContact N-O 2.89Å; Q113-E533 VanDerWaalsContact N-O 3.13Å; A114-E533 HydrophobicContact CB-CG 4.17Å; A114-E533 WeakPolarHBondContact CB-O 3.47Å; A114-E533 PolarHBondContact N-O 3.47Å; F429-E533 HydrophobicContact CE2-CG 4.11Å; L513-E533 VanDerWaalsContact CB-OE2 3.31Å; L513-E533 WeakPolarHBondContact CB-OE2 3.42Å; L513-E533 HydrophobicContact CD1-CB 4.35Å; L513-E533 HydrophobicContact CD1-CG 4.45Å; G515-E533 WeakPolarHBondContact CA-OE2 3.43Å; G515-E533 VanDerWaalsContact N-CD 3.31Å; G515-E533 PolarHBondContact N-OE1 3.12Å; G515-E533 PolarHBondContact N-OE2 3.3Å; C516-E533 PolarHBondContact N-OE2 3.06Å; C516-E533 PolarHBondContact SG-OE2 3.27Å; C529-E533 PolarHBondContact O-N 2.97Å; C530-E533 PolarHBondContact O-N 2.99Å |
| 534 | F | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 67.2 | 176.7 | -162.5 | 168.4 | 0 | 0 | 0 | 110.9 | M115 L342 G343 I411 L423 L425 F429 Y434 L513 C530 F536 | M115-F534 HydrophobicContact CE-CD2 3.44Å; M115-F534 VanDerWaalsContact CE-CD2 3.44Å; M115-F534 HydrophobicContact CE-CE2 3.6Å; L342-F534 HydrophobicContact CD1-CB 4.36Å; G343-F534 PolarHBondContact N-O 2.83Å; G343-F534 WeakPolarHBondContact O-CD1 3.45Å; G343-F534 WeakPolarHBondContact O-CG 3.26Å; I411-F534 HydrophobicContact CD1-CZ 4.25Å; I411-F534 HydrophobicContact CG1-CE1 4.25Å; I411-F534 HydrophobicContact CG1-CZ 4.38Å; L423-F534 HydrophobicContact CD1-CE2 4.46Å; L423-F534 HydrophobicContact CD1-CZ 4Å; L425-F534 HydrophobicContact CD1-CE1 4.24Å; L425-F534 HydrophobicContact CD1-CZ 3.91Å; L425-F534 HydrophobicContact CD2-CD2 4.2Å; L425-F534 HydrophobicContact CD2-CE1 4.24Å; L425-F534 HydrophobicContact CD2-CE2 3.76Å; L425-F534 HydrophobicContact CD2-CZ 3.79Å; L425-F534 HydrophobicContact CG-CZ 4.35Å; F429-F534 AromaticContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CE1 4.08Å; F429-F534 HydrophobicContact CE1-CG 4.31Å; F429-F534 HydrophobicContact CZ-CB 4.12Å; F429-F534 AromaticContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CG 4.2Å; Y434-F534 HydrophobicContact CE2-CD1 4.25Å; Y434-F534 AromaticContact CE2-CE1 3.75Å; Y434-F534 HydrophobicContact CE2-CE1 3.75Å; Y434-F534 AromaticContact CZ-CE1 3.86Å; Y434-F534 WeakPolarHBondContact OH-CD1 3.12Å; Y434-F534 VanDerWaalsContact OH-CE1 3.31Å; Y434-F534 WeakPolarHBondContact OH-CE1 3.43Å; L513-F534 HydrophobicContact CD1-CB 4.21Å; C530-F534 PolarHBondContact O-N 2.84Å; F534-F536 HydrophobicContact CE2-CD2 4.24Å; F534-F536 PolarHBondContact O-N 2.69Å |
| 535 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.9 | 171.8 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | Y111 C112 M115 V340 Y475 F476 I531 K532 | Y111-T535 WeakPolarHBondContact CA-OG1 3.49Å; C112-T535 PolarHBondContact N-OG1 3.43Å; M115-T535 WeakPolarHBondContact CE-O 3.45Å; V340-T535 HydrophobicContact CG2-CG2 3.46Å; V340-T535 VanDerWaalsContact CG2-CG2 3.46Å; Y475-T535 HydrophobicContact CD2-CG2 3.9Å; Y475-T535 HydrophobicContact CE2-CG2 4.16Å; F476-T535 HydrophobicContact CE2-CG2 3.65Å; F476-T535 HydrophobicContact CZ-CG2 3.84Å; I531-T535 VanDerWaalsContact O-CA 3.25Å; I531-T535 WeakPolarHBondContact O-CA 3.19Å; I531-T535 PolarHBondContact O-N 3.21Å; I531-T535 PolarHBondContact O-OG1 2.92Å; K532-T535 PolarHBondContact O-OG1 2.86Å |
| 536 | F | 96 | Very high | 97.5 | Very high | 27 Ų | 27 | 14.1 Ų | 14.1 | 12% | 0.118 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.3 | 179.7 | -167.8 | -84.8 | 0 | 0 | 0 | 111.3 | V340 G341 G343 L423 L446 F534 I538 | V340-F536 CarbonylContact C-O 3.51Å; V340-F536 VanDerWaalsContact CA-O 3.31Å; V340-F536 WeakPolarHBondContact CA-O 3.38Å; V340-F536 WeakPolarHBondContact CG2-O 3.4Å; G341-F536 PolarHBondContact N-O 2.91Å; G341-F536 PolarHBondContact O-N 2.73Å; G343-F536 VanDerWaalsContact CA-CB 3.41Å; L423-F536 HydrophobicContact CD1-CE2 4.23Å; L423-F536 HydrophobicContact CD2-CD2 4.12Å; L423-F536 HydrophobicContact CD2-CE2 3.42Å; L423-F536 VanDerWaalsContact CD2-CE2 3.42Å; L423-F536 HydrophobicContact CD2-CZ 4.24Å; L423-F536 HydrophobicContact CG-CE2 4.48Å; L446-F536 HydrophobicContact CD1-CD1 4.26Å; L446-F536 HydrophobicContact CD1-CE1 3.6Å; L446-F536 HydrophobicContact CD1-CZ 3.95Å; L446-F536 HydrophobicContact CD2-CD1 4.27Å; L446-F536 HydrophobicContact CD2-CE1 4.24Å; L446-F536 HydrophobicContact CD2-CG 4.48Å; L446-F536 HydrophobicContact CD2-CZ 4.39Å; F534-F536 HydrophobicContact CE2-CD2 4.24Å; F534-F536 PolarHBondContact O-N 2.69Å; F536-I538 HydrophobicContact CD1-CG2 4.13Å; F536-I538 HydrophobicContact CE1-CG2 3.75Å |
| 537 | T | 93.9 | Very high | 97.5 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.9 | 170.2 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | D338 Y475 Y539 | D338-T537 PolarHBondContact OD1-OG1 3Å; D338-T537 VanDerWaalsContact OD2-CB 3.26Å; D338-T537 WeakPolarHBondContact OD2-CB 3.46Å; D338-T537 PolarHBondContact OD2-OG1 2.82Å; Y475-T537 VanDerWaalsContact OH-CB 3.26Å; Y475-T537 WeakPolarHBondContact OH-CB 3.27Å; T537-Y539 VanDerWaalsContact C-N 3.26Å; T537-Y539 HydrophobicContact CG2-CD1 3.68Å; T537-Y539 HydrophobicContact CG2-CE1 3.63Å; T537-Y539 WeakPolarHBondContact O-CE1 3.22Å; T537-Y539 PolarHBondContact OG1-N 2.7Å |
| 538 | I | 91 | Very high | 97.5 | Very high | 18 Ų | 18 | 13.2 Ų | 13.2 | 9% | 0.092 | 6% | 0.064 | C | C | . | . | trans | -92.8 | 16.2 | 169.6 | 54.2 | 177.2 | 0 | 0 | 0 | 112.5 | H339 L448 F536 H540 | H339-I538 HydrophobicContact CB-CD1 3.56Å; H339-I538 HydrophobicContact CB-CG1 3.59Å; H339-I538 PolarHBondContact O-N 3.24Å; L448-I538 HydrophobicContact CB-CD1 4.47Å; L448-I538 HydrophobicContact CD1-CD1 3.59Å; L448-I538 HydrophobicContact CD1-CG2 4.08Å; L448-I538 HydrophobicContact CD2-CB 4.38Å; L448-I538 HydrophobicContact CD2-CD1 3.89Å; L448-I538 HydrophobicContact CD2-CG1 4.16Å; L448-I538 HydrophobicContact CD2-CG2 3.41Å; L448-I538 VanDerWaalsContact CD2-CG2 3.41Å; L448-I538 HydrophobicContact CG-CD1 4.14Å; L448-I538 HydrophobicContact CG-CG2 4.34Å; F536-I538 HydrophobicContact CD1-CG2 4.13Å; F536-I538 HydrophobicContact CE1-CG2 3.75Å; I538-H540 WeakPolarHBondContact CD1-CE1 3.35Å; I538-H540 WeakPolarHBondContact CD1-ND1 3.45Å; I538-H540 HydrophobicContact CG1-CB 4.49Å; I538-H540 WeakPolarHBondContact CG1-ND1 3.32Å; I538-H540 PolarHBondContact O-CD2 2.96Å; I538-H540 PolarHBondContact O-NE2 2.82Å | ||
| 539 | Y | 94.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 12.6 Ų | 12.6 | 17% | 0.169 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 64.5 | 46.8 | 171.8 | -38.1 | -48.2 | 0 | 0 | 0 | 112.9 | F121 P123 R124 T537 P541 | F121-Y539 WeakPolarHBondContact O-CE1 3.3Å; P123-Y539 HydrophobicContact CG-CD1 3.9Å; P123-Y539 HydrophobicContact CG-CD2 3.56Å; P123-Y539 HydrophobicContact CG-CE1 3.8Å; P123-Y539 HydrophobicContact CG-CE2 3.43Å; P123-Y539 VanDerWaalsContact CG-CE2 3.43Å; P123-Y539 HydrophobicContact CG-CG 3.76Å; R124-Y539 PolarHBondContact NH1-O 3.39Å; T537-Y539 VanDerWaalsContact C-N 3.26Å; T537-Y539 HydrophobicContact CG2-CD1 3.68Å; T537-Y539 HydrophobicContact CG2-CE1 3.63Å; T537-Y539 WeakPolarHBondContact O-CE1 3.22Å; T537-Y539 PolarHBondContact OG1-N 2.7Å; Y539-P541 WeakPolarHBondContact O-CD 3.47Å |
| 540 | H | 97.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | trans | -110.8 | 47.8 | -179.1 | -66.2 | 179.8 | 0 | 0 | 0 | 113.3 | D338 H339 I538 A542 I580 N584 P585 | D338-H540 WeakPolarHBondContact OD1-CA 3.44Å; D338-H540 PolarHBondContact OD1-N 3.28Å; H339-H540 HydrophobicContact CB-CB 4.38Å; H339-H540 AromaticContact CG-ND1 3.87Å; H339-H540 AromaticContact ND1-ND1 3.21Å; H339-H540 PolarHBondContact ND1-ND1 3.29Å; I538-H540 WeakPolarHBondContact CD1-CE1 3.35Å; I538-H540 WeakPolarHBondContact CD1-ND1 3.45Å; I538-H540 HydrophobicContact CG1-CB 4.49Å; I538-H540 WeakPolarHBondContact CG1-ND1 3.32Å; I538-H540 PolarHBondContact O-CD2 2.96Å; I538-H540 PolarHBondContact O-NE2 2.82Å; H540-A542 PolarHBondContact O-N 2.85Å; H540-I580 HydrophobicContact CB-CD1 3.98Å; H540-I580 WeakPolarHBondContact O-CD1 3.25Å; H540-N584 PolarHBondContact CE1-ND2 2.9Å; H540-N584 VanDerWaalsContact CE1-ND2 3.28Å; H540-N584 PolarHBondContact NE2-ND2 3.33Å; H540-P585 HydrophobicContact CB-CG 3.8Å; H540-P585 WeakPolarHBondContact CD2-CD 3.36Å; H540-P585 VanDerWaalsContact CE1-CD 3.43Å; H540-P585 WeakPolarHBondContact CE1-CD 3.09Å; H540-P585 VanDerWaalsContact ND1-CD 3.26Å; H540-P585 WeakPolarHBondContact ND1-CD 3.33Å; H540-P585 WeakPolarHBondContact NE2-CD 3.43Å | ||
| 541 | P | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | trans | -61.5 | 134.2 | 176.9 | 27.8 | -33.8 | 0 | 0 | 0 | 111.1 | W122 A301 L302 Q337 Y539 | W122-P541 HydrophobicContact CE3-CB 4.41Å; W122-P541 HydrophobicContact CH2-CB 4.15Å; W122-P541 HydrophobicContact CZ3-CB 3.71Å; W122-P541 HydrophobicContact CZ3-CG 4.28Å; A301-P541 HydrophobicContact CB-CB 4.01Å; A301-P541 HydrophobicContact CB-CG 4.26Å; A301-P541 WeakPolarHBondContact CB-O 3.35Å; L302-P541 HydrophobicContact CD1-CG 4.42Å; L302-P541 HydrophobicContact CD2-CB 3.84Å; L302-P541 HydrophobicContact CD2-CG 4.24Å; L302-P541 HydrophobicContact CG-CB 4.39Å; L302-P541 HydrophobicContact CG-CG 4.26Å; Q337-P541 CarbonylContact O-C 3.55Å; Q337-P541 VanDerWaalsContact O-CA 3.25Å; Q337-P541 WeakPolarHBondContact O-CA 3.46Å; Y539-P541 WeakPolarHBondContact O-CD 3.47Å | ||
| 542 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -147.2 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M336 Q337 H540 T544 A574 M577 I580 | M336-A542 WeakPolarHBondContact CA-O 3.41Å; Q337-A542 PolarHBondContact N-O 2.89Å; Q337-A542 PolarHBondContact O-N 3.32Å; H540-A542 PolarHBondContact O-N 2.85Å; A542-T544 PolarHBondContact O-N 2.92Å; A542-A574 WeakPolarHBondContact CA-O 3.15Å; A542-A574 HydrophobicContact CB-CB 4.3Å; A542-A574 WeakPolarHBondContact CB-O 3.32Å; A542-M577 HydrophobicContact CB-CB 4.35Å; A542-M577 HydrophobicContact CB-SD 4.03Å; A542-I580 HydrophobicContact CB-CB 4.32Å; A542-I580 HydrophobicContact CB-CD1 4.28Å; A542-I580 HydrophobicContact CB-CG1 4.17Å |
| 543 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 81.4 | -0.4 | 165 | 0 | 0 | 0 | 0 | 0 | 118.3 | N335 C545 R546 A574 S575 M577 | N335-G543 PolarHBondContact ND2-O 3.25Å; N335-G543 CarbonylContact O-C 3.5Å; N335-G543 WeakPolarHBondContact O-CA 3.46Å; G543-C545 PolarHBondContact O-N 2.87Å; G543-C545 VanDerWaalsContact O-N 3.16Å; G543-R546 PolarHBondContact O-N 3.08Å; G543-A574 PolarHBondContact N-O 3.5Å; G543-S575 CarbonylContact C-O 3.51Å; G543-S575 WeakPolarHBondContact CA-O 3.23Å; G543-S575 PolarHBondContact N-O 2.91Å; G543-M577 WeakPolarHBondContact CA-O 3.38Å | ||
| 544 | T | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.9 | -176.5 | 57.2 | 0 | 0 | 0 | 0 | 116.5 | A301 G333 N334 M336 V458 A542 S575 | A301-T544 WeakPolarHBondContact O-CB 3.11Å; A301-T544 WeakPolarHBondContact O-CG2 3.36Å; A301-T544 PolarHBondContact O-OG1 3.12Å; G333-T544 WeakPolarHBondContact CA-O 3.38Å; G333-T544 PolarHBondContact N-O 2.95Å; N334-T544 VanDerWaalsContact O-CA 3.25Å; N334-T544 WeakPolarHBondContact O-CA 3.16Å; M336-T544 HydrophobicContact CB-CG2 3.73Å; M336-T544 HydrophobicContact CG-CG2 3.7Å; V458-T544 HydrophobicContact CG2-CG2 3.81Å; A542-T544 PolarHBondContact O-N 2.92Å; T544-S575 PolarHBondContact N-O 3.37Å; T544-S575 VanDerWaalsContact N-O 3.15Å; T544-S575 WeakPolarHBondContact OG1-CB 3.42Å |
| 545 | C | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | 49.8 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 108.6 | G543 M547 V556 V571 S575 I576 | G543-C545 PolarHBondContact O-N 2.87Å; G543-C545 VanDerWaalsContact O-N 3.16Å; C545-M547 PolarHBondContact O-N 2.77Å; C545-V556 HydrophobicContact CB-CB 4.2Å; C545-V556 HydrophobicContact CB-CG1 3.91Å; C545-V571 HydrophobicContact CB-CG1 4.11Å; C545-V571 HydrophobicContact CB-CG2 4.48Å; C545-S575 CarbonylContact C-O 3.47Å; C545-S575 WeakPolarHBondContact CA-O 3.11Å; C545-S575 PolarHBondContact N-O 2.96Å; C545-I576 WeakPolarHBondContact O-CA 2.92Å |
| 546 | R | 98.8 | Very high | 97.5 | Very high | 46 Ų | 46 | 33 Ų | 33 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | trans | -39.1 | 130.9 | -172.6 | 172.4 | 167.3 | 178 | 143.7 | -4.3 | 114 | G543 D552 T554 A555 V556 V557 S575 P578 | G543-R546 PolarHBondContact O-N 3.08Å; R546-D552 IonicContact CZ-OD2 2.66Å; R546-D552 IonicContact NE-OD2 3.56Å; R546-D552 IonicContact NH2-OD2 3.07Å; R546-T554 PolarHBondContact NE-OG1 2.94Å; R546-A555 CarbonylContact O-C 3.6Å; R546-A555 WeakPolarHBondContact O-CA 3.34Å; R546-V556 PolarHBondContact O-N 2.85Å; R546-V557 PolarHBondContact O-N 3.26Å; R546-S575 PolarHBondContact N-O 2.88Å; R546-P578 HydrophobicContact CG-CB 4.45Å | ||
| 547 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 140 | 168.6 | -176.7 | -179.2 | 57.8 | 0 | 0 | 110.6 | N155 W158 C545 V557 L561 I576 P578 | N155-M547 HydrophobicContact CB-CE 3.79Å; N155-M547 HydrophobicContact CB-SD 4.38Å; N155-M547 WeakPolarHBondContact OD1-CG 3.28Å; W158-M547 HydrophobicContact CB-CE 4.4Å; W158-M547 HydrophobicContact CD2-CE 3.59Å; W158-M547 HydrophobicContact CD2-SD 3.91Å; W158-M547 HydrophobicContact CE3-CE 4.22Å; W158-M547 HydrophobicContact CG-CE 3.69Å; W158-M547 HydrophobicContact CG-SD 4.19Å; W158-M547 HydrophobicContact CZ2-CE 4.36Å; W158-M547 HydrophobicContact CZ2-SD 3.72Å; W158-M547 PolarHBondContact NE1-SD 3.27Å; C545-M547 PolarHBondContact O-N 2.77Å; M547-V557 WeakPolarHBondContact CA-O 3.46Å; M547-V557 HydrophobicContact CB-CG2 3.83Å; M547-V557 HydrophobicContact CG-CG2 4.21Å; M547-L561 HydrophobicContact SD-CD2 3.86Å; M547-I576 HydrophobicContact CB-CB 4.31Å; M547-I576 HydrophobicContact CB-CD1 4.5Å; M547-I576 WeakPolarHBondContact CB-O 3.4Å; M547-I576 HydrophobicContact CE-CD1 4.29Å; M547-I576 PolarHBondContact N-O 2.99Å; M547-I576 HydrophobicContact SD-CD1 4.36Å; M547-P578 HydrophobicContact CB-CG 4.26Å; M547-P578 HydrophobicContact CE-CG 4.02Å; M547-P578 WeakPolarHBondContact O-CG 3.34Å |
| 548 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -169.6 | 169.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N155 V557 Y564 | N155-G548 VanDerWaalsContact OD1-CA 3.28Å; N155-G548 WeakPolarHBondContact OD1-CA 3.22Å; N155-G548 PolarHBondContact OD1-N 3.28Å; G548-V557 PolarHBondContact N-O 3.24Å; G548-Y564 PolarHBondContact O-OH 2.96Å | ||
| 549 | P | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | trans | -69.5 | 165.7 | 173.5 | 31.8 | -37 | 0 | 0 | 0 | 111.5 | L153 W551 D552 Y564 | L153-P549 WeakPolarHBondContact O-CD 3.47Å; P549-W551 HydrophobicContact CB-CD2 3.76Å; P549-W551 VanDerWaalsContact CB-CE2 3.49Å; P549-W551 HydrophobicContact CB-CE3 3.87Å; P549-W551 HydrophobicContact CB-CH2 3.53Å; P549-W551 HydrophobicContact CB-CZ2 3.39Å; P549-W551 HydrophobicContact CB-CZ3 3.77Å; P549-W551 HydrophobicContact CG-CD2 3.92Å; P549-W551 HydrophobicContact CG-CG 4.37Å; P549-W551 HydrophobicContact CG-CH2 4.17Å; P549-W551 HydrophobicContact CG-CZ2 3.49Å; P549-W551 VanDerWaalsContact CG-CZ2 3.49Å; P549-W551 PolarHBondContact O-N 3.12Å; P549-D552 HydrophobicContact CG-CB 4.11Å; P549-D552 WeakPolarHBondContact O-CB 3.38Å; P549-D552 PolarHBondContact O-N 3.35Å; P549-Y564 VanDerWaalsContact C-OH 3.31Å | ||
| 550 | S | 97.7 | Very high | 98.4 | Very high | 96 Ų | 96 | 33 Ų | 33 | 67% | 0.671 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15 | -172.6 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | Y564 | S550-Y564 VanDerWaalsContact CA-OH 3.29Å; S550-Y564 WeakPolarHBondContact CA-OH 3.48Å; S550-Y564 PolarHBondContact N-OH 2.91Å; S550-Y564 VanDerWaalsContact N-OH 3.09Å |
| 551 | W | 97.8 | Very high | 98.5 | Very high | 198 Ų | 198 | 32.2 Ų | 32.2 | 75% | 0.75 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -9.9 | 174.8 | 60.2 | 81.3 | 0 | 0 | 0 | 113.2 | P549 V553 | P549-W551 HydrophobicContact CB-CD2 3.76Å; P549-W551 VanDerWaalsContact CB-CE2 3.49Å; P549-W551 HydrophobicContact CB-CE3 3.87Å; P549-W551 HydrophobicContact CB-CH2 3.53Å; P549-W551 HydrophobicContact CB-CZ2 3.39Å; P549-W551 HydrophobicContact CB-CZ3 3.77Å; P549-W551 HydrophobicContact CG-CD2 3.92Å; P549-W551 HydrophobicContact CG-CG 4.37Å; P549-W551 HydrophobicContact CG-CH2 4.17Å; P549-W551 HydrophobicContact CG-CZ2 3.49Å; P549-W551 VanDerWaalsContact CG-CZ2 3.49Å; P549-W551 PolarHBondContact O-N 3.12Å; W551-V553 PolarHBondContact O-N 3.38Å |
| 552 | D | 98.2 | Very high | 98.5 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | trans | -79.6 | 101.1 | 172.4 | -177.7 | -2.4 | 0 | 0 | 0 | 109.1 | R546 P549 T554 A555 | R546-D552 IonicContact CZ-OD2 2.66Å; R546-D552 IonicContact NE-OD2 3.56Å; R546-D552 IonicContact NH2-OD2 3.07Å; P549-D552 HydrophobicContact CG-CB 4.11Å; P549-D552 WeakPolarHBondContact O-CB 3.38Å; P549-D552 PolarHBondContact O-N 3.35Å; D552-T554 VanDerWaalsContact CG-OG1 3.3Å; D552-T554 PolarHBondContact O-N 3.05Å; D552-T554 VanDerWaalsContact O-N 3.08Å; D552-T554 WeakPolarHBondContact OD1-CA 3.34Å; D552-T554 WeakPolarHBondContact OD1-CB 3.25Å; D552-T554 PolarHBondContact OD1-N 3Å; D552-T554 PolarHBondContact OD1-OG1 3.01Å; D552-T554 PolarHBondContact OD2-OG1 3.14Å; D552-A555 HydrophobicContact CB-CB 4.16Å; D552-A555 VanDerWaalsContact O-CB 3.27Å; D552-A555 WeakPolarHBondContact O-CB 3.23Å; D552-A555 PolarHBondContact O-N 3.48Å | ||
| 553 | V | 97.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 37.8 Ų | 37.8 | 79% | 0.794 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.9 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | W551 | W551-V553 PolarHBondContact O-N 3.38Š|
| 554 | T | 98 | Very high | 98.6 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.9 | 175.4 | 75.8 | 0 | 0 | 0 | 0 | 113 | P331 R546 D552 | P331-T554 VanDerWaalsContact CG-O 3.31Å; P331-T554 WeakPolarHBondContact CG-O 3.41Å; R546-T554 PolarHBondContact NE-OG1 2.94Å; D552-T554 VanDerWaalsContact CG-OG1 3.3Å; D552-T554 PolarHBondContact O-N 3.05Å; D552-T554 VanDerWaalsContact O-N 3.08Å; D552-T554 WeakPolarHBondContact OD1-CA 3.34Å; D552-T554 WeakPolarHBondContact OD1-CB 3.25Å; D552-T554 PolarHBondContact OD1-N 3Å; D552-T554 PolarHBondContact OD1-OG1 3.01Å; D552-T554 PolarHBondContact OD2-OG1 3.14Å |
| 555 | A | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -80.4 | 141.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | R546 D552 Y564 | R546-A555 CarbonylContact O-C 3.6Å; R546-A555 WeakPolarHBondContact O-CA 3.34Å; D552-A555 HydrophobicContact CB-CB 4.16Å; D552-A555 VanDerWaalsContact O-CB 3.27Å; D552-A555 WeakPolarHBondContact O-CB 3.23Å; D552-A555 PolarHBondContact O-N 3.48Å; A555-Y564 HydrophobicContact CB-CD2 4.47Å; A555-Y564 HydrophobicContact CB-CE2 4.05Å | ||
| 556 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -105.5 | -35.1 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L308 L330 P331 V332 C545 R546 Y564 | L308-V556 HydrophobicContact CD1-CG1 4.43Å; L330-V556 HydrophobicContact CD1-CG1 4.23Å; P331-V556 HydrophobicContact CG-CG2 4.04Å; V332-V556 HydrophobicContact CG2-CG1 3.75Å; V332-V556 HydrophobicContact CG2-CG2 4.05Å; C545-V556 HydrophobicContact CB-CB 4.2Å; C545-V556 HydrophobicContact CB-CG1 3.91Å; R546-V556 PolarHBondContact O-N 2.85Å; V556-Y564 PolarHBondContact O-N 2.62Å |
| 557 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 150.9 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | R546 M547 G548 L561 R562 V563 Y564 V571 I576 | R546-V557 PolarHBondContact O-N 3.26Å; M547-V557 WeakPolarHBondContact CA-O 3.46Å; M547-V557 HydrophobicContact CB-CG2 3.83Å; M547-V557 HydrophobicContact CG-CG2 4.21Å; G548-V557 PolarHBondContact N-O 3.24Å; V557-L561 HydrophobicContact CG2-CD2 4.26Å; V557-R562 CarbonylContact C-O 3.57Å; V557-R562 WeakPolarHBondContact CA-O 3.04Å; V557-R562 WeakPolarHBondContact CB-O 3.26Å; V557-V563 HydrophobicContact CG1-CG2 4.01Å; V557-Y564 VanDerWaalsContact C-CE2 3.49Å; V557-V571 HydrophobicContact CG1-CB 3.86Å; V557-V571 HydrophobicContact CG1-CG2 3.85Å; V557-I576 HydrophobicContact CG2-CB 4.13Å; V557-I576 HydrophobicContact CG2-CG2 3.88Å |
| 558 | D | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -77.2 | 173.6 | 173.3 | 76.7 | 7.4 | 0 | 0 | 0 | 112.1 | R560 L561 R562 Y564 | D558-R560 PolarHBondContact O-N 2.94Å; D558-R560 VanDerWaalsContact OD1-CA 3.24Å; D558-R560 WeakPolarHBondContact OD1-CA 3.27Å; D558-R560 WeakPolarHBondContact OD1-CB 3.45Å; D558-R560 PolarHBondContact OD1-N 2.91Å; D558-L561 WeakPolarHBondContact O-CA 3.47Å; D558-L561 PolarHBondContact O-N 2.78Å; D558-L561 PolarHBondContact OD1-N 3.02Å; D558-R562 PolarHBondContact N-O 3.44Å; D558-R562 PolarHBondContact OD1-N 3.02Å; D558-R562 IonicContact OD1-NE 2.7Å; D558-R562 IonicContact OD2-CZ 2.97Å; D558-R562 IonicContact OD2-NE 3.44Å; D558-R562 PolarHBondContact OD2-NE 3.23Å; D558-R562 IonicContact OD2-NH2 3.94Å; D558-R562 PolarHBondContact OD2-NH2 3.37Å; D558-Y564 WeakPolarHBondContact CA-OH 3.42Å; D558-Y564 HydrophobicContact CB-CE1 3.97Å; D558-Y564 HydrophobicContact CB-CE2 4.03Å; D558-Y564 VanDerWaalsContact CB-CZ 3.49Å; D558-Y564 VanDerWaalsContact CB-OH 3.23Å; D558-Y564 WeakPolarHBondContact CB-OH 3.43Å | ||
| 559 | P | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.9 | 178.6 | -25.9 | 36.6 | 0 | 0 | 0 | 115 | N155 P156 W158 | N155-P559 HydrophobicContact CB-CB 4.47Å; P156-P559 HydrophobicContact CG-CB 4.42Å; W158-P559 PolarHBondContact NE1-O 3.47Å |
| 560 | R | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.4 | 171.1 | -60.3 | -170.9 | 71.1 | 81.6 | 2.8 | 112.1 | D558 R562 R570 L599 E602 D603 | D558-R560 PolarHBondContact O-N 2.94Å; D558-R560 VanDerWaalsContact OD1-CA 3.24Å; D558-R560 WeakPolarHBondContact OD1-CA 3.27Å; D558-R560 WeakPolarHBondContact OD1-CB 3.45Å; D558-R560 PolarHBondContact OD1-N 2.91Å; R560-R562 VanDerWaalsContact C-N 3.28Å; R560-R562 HydrophobicContact CB-CG 4.46Å; R560-R562 PolarHBondContact O-N 2.86Å; R560-R570 PolarHBondContact O-NH1 3.28Å; R560-L599 PolarHBondContact NH2-O 3.15Å; R560-E602 IonicContact CZ-OE2 2.78Å; R560-E602 IonicContact NH1-OE2 2.89Å; R560-E602 PolarHBondContact NH1-OE2 2.98Å; R560-E602 IonicContact NH2-OE2 3.98Å; R560-E602 PolarHBondContact NH2-OE2 2.91Å; R560-D603 IonicContact CZ-OD1 3.5Å; R560-D603 IonicContact CZ-OD2 2.85Å; R560-D603 IonicContact NE-OD1 2.9Å; R560-D603 PolarHBondContact NE-OD1 3.07Å; R560-D603 IonicContact NE-OD2 3.84Å; R560-D603 PolarHBondContact NE-OD2 2.85Å; R560-D603 VanDerWaalsContact NE-OD2 3.17Å; R560-D603 IonicContact NH2-OD1 3.97Å; R560-D603 PolarHBondContact NH2-OD1 3.41Å; R560-D603 IonicContact NH2-OD2 3.23Å; R560-D603 PolarHBondContact NH2-OD2 3.23Å |
| 561 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 67.8 | 18.6 | 177.8 | -50.8 | 179.7 | 0 | 0 | 0 | 115 | W158 M547 V557 D558 R570 V571 V572 I576 I592 A596 | W158-L561 HydrophobicContact CH2-CD1 4.2Å; W158-L561 HydrophobicContact CH2-CD2 4.11Å; W158-L561 HydrophobicContact CH2-CG 4.48Å; W158-L561 HydrophobicContact CZ2-CD1 4.13Å; W158-L561 HydrophobicContact CZ2-CD2 3.64Å; W158-L561 HydrophobicContact CZ2-CG 3.97Å; M547-L561 HydrophobicContact SD-CD2 3.86Å; V557-L561 HydrophobicContact CG2-CD2 4.26Å; D558-L561 WeakPolarHBondContact O-CA 3.47Å; D558-L561 PolarHBondContact O-N 2.78Å; D558-L561 PolarHBondContact OD1-N 3.02Å; L561-R570 WeakPolarHBondContact O-CA 3.33Å; L561-R570 VanDerWaalsContact O-CB 3.23Å; L561-R570 WeakPolarHBondContact O-CB 3.32Å; L561-R570 WeakPolarHBondContact O-CG 3.49Å; L561-V571 WeakPolarHBondContact CB-O 3.41Å; L561-V571 PolarHBondContact O-N 2.83Å; L561-V571 VanDerWaalsContact O-N 3.1Å; L561-V572 HydrophobicContact CD1-CG1 4.36Å; L561-V572 HydrophobicContact CD1-CG2 4.07Å; L561-I576 HydrophobicContact CD2-CB 4.13Å; L561-I576 HydrophobicContact CD2-CD1 3.95Å; L561-I576 HydrophobicContact CD2-CG1 4Å; L561-I576 HydrophobicContact CD2-CG2 4.24Å; L561-I592 HydrophobicContact CD1-CG2 4.42Å; L561-A596 HydrophobicContact CD1-CB 3.69Å | ||
| 562 | R | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 30.6 Ų | 30.6 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -84.3 | 134.6 | 177.2 | -56.8 | 175.7 | -63.6 | -173.1 | 3.9 | 109.5 | V557 D558 R560 R570 | V557-R562 CarbonylContact C-O 3.57Å; V557-R562 WeakPolarHBondContact CA-O 3.04Å; V557-R562 WeakPolarHBondContact CB-O 3.26Å; D558-R562 PolarHBondContact N-O 3.44Å; D558-R562 PolarHBondContact OD1-N 3.02Å; D558-R562 IonicContact OD1-NE 2.7Å; D558-R562 IonicContact OD2-CZ 2.97Å; D558-R562 IonicContact OD2-NE 3.44Å; D558-R562 PolarHBondContact OD2-NE 3.23Å; D558-R562 IonicContact OD2-NH2 3.94Å; D558-R562 PolarHBondContact OD2-NH2 3.37Å; R560-R562 VanDerWaalsContact C-N 3.28Å; R560-R562 HydrophobicContact CB-CG 4.46Å; R560-R562 PolarHBondContact O-N 2.86Å; R562-R570 HydrophobicContact CG-CG 4.31Å |
| 563 | V | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 129.4 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | V313 L330 V557 V566 V569 V571 | V313-V563 HydrophobicContact CG1-CG1 3.97Å; L330-V563 HydrophobicContact CD1-CG1 3.82Å; V557-V563 HydrophobicContact CG1-CG2 4.01Å; V563-V566 HydrophobicContact CB-CG2 3.7Å; V563-V566 HydrophobicContact CG1-CG2 3.72Å; V563-V566 VanDerWaalsContact O-O 3.09Å; V563-V569 HydrophobicContact CB-CB 4.44Å; V563-V569 HydrophobicContact CG2-CB 4.05Å; V563-V569 HydrophobicContact CG2-CG1 3.75Å; V563-V569 PolarHBondContact N-O 2.97Å; V563-V569 VanDerWaalsContact N-O 3.15Å; V563-V571 HydrophobicContact CG2-CG2 3.75Å |
| 564 | Y | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 148.8 | 178 | -76.9 | -65.4 | 0 | 0 | 0 | 112.6 | S328 L330 G548 P549 S550 A555 V556 V557 D558 V566 | S328-Y564 PolarHBondContact OG-O 3.46Å; L330-Y564 WeakPolarHBondContact CD1-O 3.15Å; G548-Y564 PolarHBondContact O-OH 2.96Å; P549-Y564 VanDerWaalsContact C-OH 3.31Å; S550-Y564 VanDerWaalsContact CA-OH 3.29Å; S550-Y564 WeakPolarHBondContact CA-OH 3.48Å; S550-Y564 PolarHBondContact N-OH 2.91Å; S550-Y564 VanDerWaalsContact N-OH 3.09Å; A555-Y564 HydrophobicContact CB-CD2 4.47Å; A555-Y564 HydrophobicContact CB-CE2 4.05Å; V556-Y564 PolarHBondContact O-N 2.62Å; V557-Y564 VanDerWaalsContact C-CE2 3.49Å; D558-Y564 WeakPolarHBondContact CA-OH 3.42Å; D558-Y564 HydrophobicContact CB-CE1 3.97Å; D558-Y564 HydrophobicContact CB-CE2 4.03Å; D558-Y564 VanDerWaalsContact CB-CZ 3.49Å; D558-Y564 VanDerWaalsContact CB-OH 3.23Å; D558-Y564 WeakPolarHBondContact CB-OH 3.43Å; Y564-V566 PolarHBondContact O-N 3.04Å |
| 565 | G | 98.4 | Very high | 98.8 | Very high | 48 Ų | 48 | 20.1 Ų | 20.1 | 50% | 0.495 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -1.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | K273 | K273-G565 VanDerWaalsContact CD-O 3.27Å; K273-G565 WeakPolarHBondContact CD-O 3.41Å |
| 566 | V | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 20 Ų | 20 | 12% | 0.121 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -134.2 | 168.1 | 171 | -59 | 0 | 0 | 0 | 0 | 110.3 | F269 K273 V313 I327 V563 Y564 V569 | F269-V566 HydrophobicContact CD1-CB 4.29Å; F269-V566 HydrophobicContact CD1-CG1 4.34Å; F269-V566 HydrophobicContact CE1-CB 3.68Å; F269-V566 HydrophobicContact CE1-CG1 3.88Å; F269-V566 HydrophobicContact CE1-CG2 3.98Å; F269-V566 HydrophobicContact CZ-CB 4.29Å; F269-V566 HydrophobicContact CZ-CG1 4.17Å; F269-V566 HydrophobicContact CZ-CG2 4.28Å; K273-V566 HydrophobicContact CB-CG1 4.26Å; K273-V566 WeakPolarHBondContact O-CA 3.33Å; K273-V566 WeakPolarHBondContact O-CB 3.48Å; V313-V566 HydrophobicContact CG2-CG1 3.83Å; I327-V566 HydrophobicContact CG2-CG1 3.91Å; V563-V566 HydrophobicContact CB-CG2 3.7Å; V563-V566 HydrophobicContact CG1-CG2 3.72Å; V563-V566 VanDerWaalsContact O-O 3.09Å; Y564-V566 PolarHBondContact O-N 3.04Å; V566-V569 HydrophobicContact CG2-CB 4.44Å; V566-V569 HydrophobicContact CG2-CG2 4.44Å |
| 567 | S | 98.7 | Very high | 98.8 | Very high | 51 Ų | 51 | 20 Ų | 20 | 36% | 0.357 | 11% | 0.111 | S | C | . | . | B | Isolated β-bridge | trans | -127.6 | 155.6 | 175.1 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | K273 R274 A275 | K273-S567 PolarHBondContact O-N 2.81Å; R274-S567 CarbonylContact C-O 3.5Å; R274-S567 WeakPolarHBondContact CA-O 3.4Å; R274-S567 VanDerWaalsContact CA-OG 3.31Å; R274-S567 WeakPolarHBondContact CA-OG 3.4Å; R274-S567 VanDerWaalsContact CB-OG 3.31Å; R274-S567 WeakPolarHBondContact CB-OG 3.33Å; A275-S567 PolarHBondContact N-O 3.33Å |
| 568 | G | 98.6 | Very high | 98.8 | Very high | 13 Ų | 13 | 20 Ų | 20 | 13% | 0.134 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 76.6 | 17.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E294 V295 | E294-G568 CarbonylContact C-O 3.47Å; E294-G568 VanDerWaalsContact CA-O 3.29Å; E294-G568 WeakPolarHBondContact CA-O 3.49Å; V295-G568 PolarHBondContact N-O 2.93Å |
| 569 | V | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.8 | 175 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | I267 F269 A275 V295 L308 V563 V566 | I267-V569 HydrophobicContact CD1-CG1 3.9Å; I267-V569 HydrophobicContact CD1-CG2 4.34Å; I267-V569 HydrophobicContact CG2-CG2 4.08Å; F269-V569 HydrophobicContact CE1-CG2 3.68Å; F269-V569 HydrophobicContact CZ-CG2 3.84Å; A275-V569 HydrophobicContact CB-CG2 3.5Å; A275-V569 VanDerWaalsContact CB-CG2 3.5Å; V295-V569 WeakPolarHBondContact O-CA 3.05Å; L308-V569 HydrophobicContact CD2-CG1 4.39Å; V563-V569 HydrophobicContact CB-CB 4.44Å; V563-V569 HydrophobicContact CG2-CB 4.05Å; V563-V569 HydrophobicContact CG2-CG1 3.75Å; V563-V569 PolarHBondContact N-O 2.97Å; V563-V569 VanDerWaalsContact N-O 3.15Å; V566-V569 HydrophobicContact CG2-CB 4.44Å; V566-V569 HydrophobicContact CG2-CG2 4.44Å |
| 570 | R | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 152.2 | 164.4 | -62.7 | -166.6 | -161.1 | -116.6 | -5.7 | 111.5 | E294 V295 I296 A297 R560 L561 R562 V572 D603 | E294-R570 IonicContact OE1-CZ 2.76Å; E294-R570 IonicContact OE1-NE 3.67Å; E294-R570 PolarHBondContact OE1-NE 3Å; E294-R570 IonicContact OE1-NH2 3.31Å; E294-R570 PolarHBondContact OE1-NH2 3.43Å; E294-R570 WeakPolarHBondContact OE2-CD 3.19Å; E294-R570 WeakPolarHBondContact OE2-CG 3.21Å; E294-R570 IonicContact OE2-CZ 3.17Å; E294-R570 IonicContact OE2-NE 3.45Å; E294-R570 PolarHBondContact OE2-NE 3.34Å; E294-R570 IonicContact OE2-NH2 2.93Å; V295-R570 PolarHBondContact O-N 2.89Å; I296-R570 HydrophobicContact CD1-CB 4.11Å; I296-R570 HydrophobicContact CD1-CG 4.45Å; A297-R570 PolarHBondContact N-O 3.43Å; R560-R570 PolarHBondContact O-NH1 3.28Å; L561-R570 WeakPolarHBondContact O-CA 3.33Å; L561-R570 VanDerWaalsContact O-CB 3.23Å; L561-R570 WeakPolarHBondContact O-CB 3.32Å; L561-R570 WeakPolarHBondContact O-CG 3.49Å; R562-R570 HydrophobicContact CG-CG 4.31Å; R570-V572 HydrophobicContact CB-CG2 4.23Å; R570-D603 IonicContact CZ-OD2 2.68Å; R570-D603 VanDerWaalsContact CZ-OD2 3.23Å; R570-D603 IonicContact NH1-OD2 3.06Å; R570-D603 PolarHBondContact NH1-OD2 2.98Å; R570-D603 IonicContact NH2-OD2 3.4Å; R570-D603 PolarHBondContact NH2-OD2 3.36Å |
| 571 | V | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.7 | 168.6 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | A297 T304 L308 C545 V557 L561 V563 S575 I576 | A297-V571 HydrophobicContact CB-CG2 4.41Å; A297-V571 WeakPolarHBondContact O-CA 3.28Å; T304-V571 HydrophobicContact CG2-CB 4.36Å; T304-V571 HydrophobicContact CG2-CG1 3.41Å; T304-V571 VanDerWaalsContact CG2-CG1 3.41Å; T304-V571 HydrophobicContact CG2-CG2 4.01Å; L308-V571 HydrophobicContact CD1-CG2 3.93Å; C545-V571 HydrophobicContact CB-CG1 4.11Å; C545-V571 HydrophobicContact CB-CG2 4.48Å; V557-V571 HydrophobicContact CG1-CB 3.86Å; V557-V571 HydrophobicContact CG1-CG2 3.85Å; L561-V571 WeakPolarHBondContact CB-O 3.41Å; L561-V571 PolarHBondContact O-N 2.83Å; L561-V571 VanDerWaalsContact O-N 3.1Å; V563-V571 HydrophobicContact CG2-CG2 3.75Å; V571-S575 WeakPolarHBondContact CG1-OG 3.35Å; V571-I576 HydrophobicContact CB-CG2 3.85Å; V571-I576 HydrophobicContact CG1-CG2 3.56Å; V571-I576 WeakPolarHBondContact O-CG2 3.44Å |
| 572 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -137.8 | 82.7 | -177.1 | -168.1 | 0 | 0 | 0 | 0 | 109.3 | A54 V58 I296 A297 S298 L561 R570 I592 A596 | A54-V572 HydrophobicContact CB-CG1 4.16Å; A54-V572 WeakPolarHBondContact CB-O 3.46Å; V58-V572 HydrophobicContact CG2-CB 4.43Å; V58-V572 HydrophobicContact CG2-CG1 3.89Å; I296-V572 HydrophobicContact CG2-CB 4Å; I296-V572 HydrophobicContact CG2-CG2 3.61Å; A297-V572 PolarHBondContact O-N 3.42Å; S298-V572 VanDerWaalsContact CB-O 3.25Å; S298-V572 WeakPolarHBondContact CB-O 3.35Å; S298-V572 PolarHBondContact OG-O 2.83Å; L561-V572 HydrophobicContact CD1-CG1 4.36Å; L561-V572 HydrophobicContact CD1-CG2 4.07Å; R570-V572 HydrophobicContact CB-CG2 4.23Å; V572-I592 HydrophobicContact CG1-CG2 3.83Å; V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.37Å; V572-A596 HydrophobicContact CG2-CB 3.72Å | ||
| 573 | D | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -167 | -169.6 | 170.3 | 60.2 | 54.2 | 0 | 0 | 0 | 110.1 | A54 S298 A299 G300 T304 S575 I576 | A54-D573 HydrophobicContact CB-CB 4.48Å; S298-D573 WeakPolarHBondContact CA-OD2 3.27Å; A299-D573 PolarHBondContact N-OD2 2.83Å; G300-D573 WeakPolarHBondContact CA-OD2 3.34Å; G300-D573 PolarHBondContact N-OD2 2.7Å; T304-D573 WeakPolarHBondContact CB-OD2 3.32Å; T304-D573 PolarHBondContact OG1-OD2 2.88Å; D573-S575 PolarHBondContact O-N 3.08Å; D573-S575 VanDerWaalsContact O-N 3.09Å; D573-S575 WeakPolarHBondContact OD1-CB 3.49Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; D573-I576 VanDerWaalsContact O-CG1 3.27Å; D573-I576 WeakPolarHBondContact O-CG1 3.28Å; D573-I576 PolarHBondContact O-N 3.29Å |
| 574 | A | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 5% | 0.05 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -60 | -18 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A301 A542 G543 I576 M577 V589 | A301-A574 HydrophobicContact CB-CB 4.31Å; A542-A574 WeakPolarHBondContact CA-O 3.15Å; A542-A574 HydrophobicContact CB-CB 4.3Å; A542-A574 WeakPolarHBondContact CB-O 3.32Å; G543-A574 PolarHBondContact N-O 3.5Å; A574-I576 PolarHBondContact O-N 2.74Å; A574-M577 HydrophobicContact CB-CE 4.29Å; A574-M577 HydrophobicContact CB-SD 4.38Å; A574-M577 WeakPolarHBondContact O-CG 3.46Å; A574-M577 PolarHBondContact O-N 3.46Å; A574-V589 HydrophobicContact CB-CG2 3.62Å |
| 575 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.3 | 178 | 60 | 0 | 0 | 0 | 0 | 113.2 | G543 T544 C545 R546 V571 D573 M577 | G543-S575 CarbonylContact C-O 3.51Å; G543-S575 WeakPolarHBondContact CA-O 3.23Å; G543-S575 PolarHBondContact N-O 2.91Å; T544-S575 PolarHBondContact N-O 3.37Å; T544-S575 VanDerWaalsContact N-O 3.15Å; T544-S575 WeakPolarHBondContact OG1-CB 3.42Å; C545-S575 CarbonylContact C-O 3.47Å; C545-S575 WeakPolarHBondContact CA-O 3.11Å; C545-S575 PolarHBondContact N-O 2.96Å; R546-S575 PolarHBondContact N-O 2.88Å; V571-S575 WeakPolarHBondContact CG1-OG 3.35Å; D573-S575 PolarHBondContact O-N 3.08Å; D573-S575 VanDerWaalsContact O-N 3.09Å; D573-S575 WeakPolarHBondContact OD1-CB 3.49Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; S575-M577 VanDerWaalsContact C-N 3.32Å; S575-M577 PolarHBondContact O-N 3.5Å |
| 576 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -78.5 | -16.2 | -177.3 | 69.1 | 87.6 | 0 | 0 | 0 | 113.5 | W158 C545 M547 V557 L561 V571 D573 A574 P578 I592 | W158-I576 HydrophobicContact CH2-CD1 4.14Å; W158-I576 HydrophobicContact CZ3-CD1 4.39Å; C545-I576 WeakPolarHBondContact O-CA 2.92Å; M547-I576 HydrophobicContact CB-CB 4.31Å; M547-I576 HydrophobicContact CB-CD1 4.5Å; M547-I576 WeakPolarHBondContact CB-O 3.4Å; M547-I576 HydrophobicContact CE-CD1 4.29Å; M547-I576 PolarHBondContact N-O 2.99Å; M547-I576 HydrophobicContact SD-CD1 4.36Å; V557-I576 HydrophobicContact CG2-CB 4.13Å; V557-I576 HydrophobicContact CG2-CG2 3.88Å; L561-I576 HydrophobicContact CD2-CB 4.13Å; L561-I576 HydrophobicContact CD2-CD1 3.95Å; L561-I576 HydrophobicContact CD2-CG1 4Å; L561-I576 HydrophobicContact CD2-CG2 4.24Å; V571-I576 HydrophobicContact CB-CG2 3.85Å; V571-I576 HydrophobicContact CG1-CG2 3.56Å; V571-I576 WeakPolarHBondContact O-CG2 3.44Å; D573-I576 VanDerWaalsContact O-CG1 3.27Å; D573-I576 WeakPolarHBondContact O-CG1 3.28Å; D573-I576 PolarHBondContact O-N 3.29Å; A574-I576 PolarHBondContact O-N 2.74Å; I576-P578 VanDerWaalsContact O-CD 3.26Å; I576-P578 WeakPolarHBondContact O-CD 3.29Å; I576-P578 VanDerWaalsContact O-N 3.17Å; I576-I592 HydrophobicContact CD1-CD1 3.98Å; I576-I592 HydrophobicContact CD1-CG1 4.29Å; I576-I592 HydrophobicContact CD1-CG2 4.47Å; I576-I592 HydrophobicContact CG1-CD1 4.32Å; I576-I592 HydrophobicContact CG1-CG2 4.29Å |
| 577 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -60.7 | 118.1 | -174.6 | -64.6 | -179.8 | 177.8 | 0 | 0 | 110.4 | W150 A542 G543 A574 S575 T579 P585 P588 V589 I592 | W150-M577 HydrophobicContact CH2-CB 4.3Å; W150-M577 HydrophobicContact CH2-CE 4.34Å; W150-M577 HydrophobicContact CH2-CG 3.71Å; W150-M577 HydrophobicContact CH2-SD 4.26Å; W150-M577 HydrophobicContact CZ2-CB 3.86Å; W150-M577 HydrophobicContact CZ2-CG 3.74Å; W150-M577 HydrophobicContact CZ2-SD 4.23Å; A542-M577 HydrophobicContact CB-CB 4.35Å; A542-M577 HydrophobicContact CB-SD 4.03Å; G543-M577 WeakPolarHBondContact CA-O 3.38Å; A574-M577 HydrophobicContact CB-CE 4.29Å; A574-M577 HydrophobicContact CB-SD 4.38Å; A574-M577 WeakPolarHBondContact O-CG 3.46Å; A574-M577 PolarHBondContact O-N 3.46Å; S575-M577 VanDerWaalsContact C-N 3.32Å; S575-M577 PolarHBondContact O-N 3.5Å; M577-T579 VanDerWaalsContact C-N 3.29Å; M577-T579 PolarHBondContact O-N 3.26Å; M577-P585 HydrophobicContact CE-CB 4.15Å; M577-P588 HydrophobicContact CE-CB 3.75Å; M577-V589 HydrophobicContact CE-CG2 3.72Å; M577-I592 HydrophobicContact CE-CD1 3.54Å; M577-I592 HydrophobicContact CG-CD1 4.12Å | ||
| 578 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -61.1 | -42.8 | 178.8 | -20.7 | 31.1 | 0 | 0 | 0 | 111.8 | W150 L153 N335 Q337 R546 M547 I576 | W150-P578 HydrophobicContact CG-CG 4.24Å; L153-P578 HydrophobicContact CD1-CB 3.82Å; N335-P578 PolarHBondContact ND2-O 2.96Å; N335-P578 VanDerWaalsContact ND2-O 3.1Å; Q337-P578 PolarHBondContact NE2-O 3.11Å; R546-P578 HydrophobicContact CG-CB 4.45Å; M547-P578 HydrophobicContact CB-CG 4.26Å; M547-P578 HydrophobicContact CE-CG 4.02Å; M547-P578 WeakPolarHBondContact O-CG 3.34Å; I576-P578 VanDerWaalsContact O-CD 3.26Å; I576-P578 WeakPolarHBondContact O-CD 3.29Å; I576-P578 VanDerWaalsContact O-N 3.17Å |
| 579 | T | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 5.3 Ų | 5.3 | 20% | 0.202 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -128 | 144.2 | 168.2 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | W150 M577 | W150-T579 WeakPolarHBondContact CZ2-O 3.44Å; W150-T579 PolarHBondContact NE1-O 3.28Å; W150-T579 PolarHBondContact NE1-OG1 3.32Å; W150-T579 VanDerWaalsContact NE1-OG1 3.12Å; M577-T579 VanDerWaalsContact C-N 3.29Å; M577-T579 PolarHBondContact O-N 3.26Å |
| 580 | I | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 5.2 Ų | 5.2 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | trans | -60.8 | 146 | 172.1 | -166.3 | 167.1 | 0 | 0 | 0 | 110.3 | Q337 P452 H540 A542 | Q337-I580 HydrophobicContact CB-CB 4.14Å; Q337-I580 HydrophobicContact CB-CG2 4.23Å; P452-I580 HydrophobicContact CG-CG2 4.1Å; H540-I580 HydrophobicContact CB-CD1 3.98Å; H540-I580 WeakPolarHBondContact O-CD1 3.25Å; A542-I580 HydrophobicContact CB-CB 4.32Å; A542-I580 HydrophobicContact CB-CD1 4.28Å; A542-I580 HydrophobicContact CB-CG1 4.17Å | ||
| 581 | V | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | trans | -76.6 | 152.3 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | D146 Y147 W150 H339 G583 P585 P588 | D146-V581 HydrophobicContact CB-CB 4.47Å; D146-V581 HydrophobicContact CB-CG1 4.3Å; Y147-V581 HydrophobicContact CE1-CG1 4.22Å; W150-V581 HydrophobicContact CH2-CG1 3.68Å; W150-V581 HydrophobicContact CZ2-CG1 3.43Å; W150-V581 VanDerWaalsContact CZ2-CG1 3.43Å; H339-V581 PolarHBondContact CE1-O 3.42Å; H339-V581 PolarHBondContact NE2-O 2.86Å; H339-V581 VanDerWaalsContact NE2-O 3.16Å; V581-G583 PolarHBondContact O-N 3.36Å; V581-P585 HydrophobicContact CG2-CB 4.45Å; V581-P588 HydrophobicContact CB-CG 4.44Å; V581-P588 HydrophobicContact CG1-CB 4.28Å; V581-P588 HydrophobicContact CG1-CG 4.29Å; V581-P588 HydrophobicContact CG2-CB 4.27Å; V581-P588 HydrophobicContact CG2-CG 3.71Å | ||
| 582 | N | 96.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -71.2 | 68 | 171.9 | -83.7 | -88.5 | 0 | 0 | 0 | 111.4 | G142 D146 Q224 F387 W399 P400 L450 R451 | G142-N582 WeakPolarHBondContact CA-O 3.39Å; D146-N582 VanDerWaalsContact CG-N 3.33Å; D146-N582 PolarHBondContact OD1-N 2.75Å; D146-N582 PolarHBondContact OD1-ND2 2.97Å; D146-N582 WeakPolarHBondContact OD2-CB 3.39Å; D146-N582 PolarHBondContact OD2-N 2.77Å; Q224-N582 PolarHBondContact NE2-O 3.13Å; F387-N582 WeakPolarHBondContact CE1-O 3.39Å; W399-N582 PolarHBondContact NE1-ND2 2.99Å; P400-N582 PolarHBondContact O-OD1 2.77Å; L450-N582 HydrophobicContact CB-CB 4.41Å; L450-N582 WeakPolarHBondContact CB-OD1 3.39Å; L450-N582 HydrophobicContact CD1-CB 4.18Å; L450-N582 WeakPolarHBondContact CD1-OD1 3.24Å; R451-N582 WeakPolarHBondContact CD-ND2 3.49Å; R451-N582 VanDerWaalsContact CG-ND2 3.32Å; R451-N582 WeakPolarHBondContact CG-ND2 3.25Å |
| 583 | G | 95.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 160.3 | -164.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H339 V581 | H339-G583 PolarHBondContact CE1-O 2.84Å; H339-G583 PolarHBondContact ND1-O 3.18Å; V581-G583 PolarHBondContact O-N 3.36Å |
| 584 | N | 97.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 4.9 Ų | 4.9 | 6% | 0.064 | 3% | 0.03 | C | C | . | . | trans | -79.1 | 120.6 | -178.1 | -61.3 | 70.2 | 0 | 0 | 0 | 111 | V138 V140 Q403 H405 H540 N586 P588 | V138-N584 HydrophobicContact CG1-CB 4.34Å; V138-N584 WeakPolarHBondContact CG1-OD1 3.38Å; V140-N584 HydrophobicContact CB-CB 4.24Å; Q403-N584 PolarHBondContact NE2-OD1 2.64Å; H405-N584 PolarHBondContact CE1-ND2 2.78Å; H405-N584 PolarHBondContact NE2-OD1 3.47Å; H540-N584 PolarHBondContact CE1-ND2 2.9Å; H540-N584 VanDerWaalsContact CE1-ND2 3.28Å; H540-N584 PolarHBondContact NE2-ND2 3.33Å; N584-N586 PolarHBondContact O-N 2.87Å; N584-P588 VanDerWaalsContact O-CD 3.31Å; N584-P588 WeakPolarHBondContact O-CD 3.38Å | ||
| 585 | P | 97.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 5 Ų | 5 | 8% | 0.084 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.3 | -168.1 | 30.4 | -37.1 | 0 | 0 | 0 | 114.3 | H540 M577 V581 A587 P588 V589 | H540-P585 HydrophobicContact CB-CG 3.8Å; H540-P585 WeakPolarHBondContact CD2-CD 3.36Å; H540-P585 VanDerWaalsContact CE1-CD 3.43Å; H540-P585 WeakPolarHBondContact CE1-CD 3.09Å; H540-P585 VanDerWaalsContact ND1-CD 3.26Å; H540-P585 WeakPolarHBondContact ND1-CD 3.33Å; H540-P585 WeakPolarHBondContact NE2-CD 3.43Å; M577-P585 HydrophobicContact CE-CB 4.15Å; V581-P585 HydrophobicContact CG2-CB 4.45Å; P585-A587 PolarHBondContact O-N 2.89Å; P585-P588 WeakPolarHBondContact O-CD 2.97Å; P585-V589 WeakPolarHBondContact O-CB 3.26Å; P585-V589 WeakPolarHBondContact O-CG2 3.42Å; P585-V589 PolarHBondContact O-N 3.11Å |
| 586 | N | 98.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 5.1 Ų | 5.1 | 9% | 0.091 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | -177.7 | -174.3 | 57.1 | 0 | 0 | 0 | 112.5 | S53 N584 V589 I590 | S53-N586 WeakPolarHBondContact CB-OD1 3.38Å; S53-N586 PolarHBondContact OG-OD1 2.77Å; N584-N586 PolarHBondContact O-N 2.87Å; N586-V589 PolarHBondContact O-N 2.68Å; N586-I590 VanDerWaalsContact O-CG1 3.32Å; N586-I590 WeakPolarHBondContact O-CG1 3.27Å; N586-I590 PolarHBondContact O-N 2.96Å; N586-I590 VanDerWaalsContact O-N 3.08Å |
| 587 | A | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 2% | 0.017 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y139 F167 P585 V589 I590 A591 | Y139-A587 HydrophobicContact CD2-CB 3.66Å; Y139-A587 HydrophobicContact CE2-CB 3.41Å; Y139-A587 VanDerWaalsContact CE2-CB 3.41Å; Y139-A587 HydrophobicContact CG-CB 4.47Å; F167-A587 HydrophobicContact CE1-CB 4.25Å; F167-A587 WeakPolarHBondContact CE1-O 3.19Å; P585-A587 PolarHBondContact O-N 2.89Å; A587-V589 VanDerWaalsContact C-N 3.29Å; A587-V589 PolarHBondContact O-N 2.74Å; A587-I590 WeakPolarHBondContact O-CB 3.45Å; A587-I590 PolarHBondContact O-N 3.09Å; A587-I590 VanDerWaalsContact O-N 3.1Å; A587-A591 PolarHBondContact O-N 3.02Å |
| 588 | P | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -54.3 | -40.5 | 172 | -31.5 | 35.9 | 0 | 0 | 0 | 114 | V140 R141 Y147 F167 M577 V581 N584 P585 A591 I592 | V140-P588 WeakPolarHBondContact O-CD 3.4Å; R141-P588 WeakPolarHBondContact O-CG 3.39Å; Y147-P588 WeakPolarHBondContact OH-CG 3.39Å; F167-P588 HydrophobicContact CE1-CG 4.38Å; F167-P588 HydrophobicContact CZ-CB 4.41Å; F167-P588 HydrophobicContact CZ-CG 4.32Å; M577-P588 HydrophobicContact CE-CB 3.75Å; V581-P588 HydrophobicContact CB-CG 4.44Å; V581-P588 HydrophobicContact CG1-CB 4.28Å; V581-P588 HydrophobicContact CG1-CG 4.29Å; V581-P588 HydrophobicContact CG2-CB 4.27Å; V581-P588 HydrophobicContact CG2-CG 3.71Å; N584-P588 VanDerWaalsContact O-CD 3.31Å; N584-P588 WeakPolarHBondContact O-CD 3.38Å; P585-P588 WeakPolarHBondContact O-CD 2.97Å; P588-A591 PolarHBondContact O-N 3.18Å; P588-I592 WeakPolarHBondContact O-CB 3.38Å; P588-I592 VanDerWaalsContact O-CG1 3.27Å; P588-I592 WeakPolarHBondContact O-CG1 3.26Å; P588-I592 PolarHBondContact O-N 3.2Å |
| 589 | V | 98.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 7.1 Ų | 7.1 | 8% | 0.079 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | A54 A574 M577 P585 N586 A587 I592 G593 | A54-V589 HydrophobicContact CB-CG1 3.58Å; A574-V589 HydrophobicContact CB-CG2 3.62Å; M577-V589 HydrophobicContact CE-CG2 3.72Å; P585-V589 WeakPolarHBondContact O-CB 3.26Å; P585-V589 WeakPolarHBondContact O-CG2 3.42Å; P585-V589 PolarHBondContact O-N 3.11Å; N586-V589 PolarHBondContact O-N 2.68Å; A587-V589 VanDerWaalsContact C-N 3.29Å; A587-V589 PolarHBondContact O-N 2.74Å; V589-I592 WeakPolarHBondContact O-CB 3.33Å; V589-I592 PolarHBondContact O-N 2.94Å; V589-G593 PolarHBondContact O-N 3.04Å |
| 590 | I | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 5.6 Ų | 5.6 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 173.5 | -68.7 | 168.7 | 0 | 0 | 0 | 110 | V57 S170 L190 T242 F246 N586 A587 I592 G593 E594 | V57-I590 HydrophobicContact CG2-CB 4.5Å; V57-I590 HydrophobicContact CG2-CG2 3.93Å; S170-I590 WeakPolarHBondContact OG-CG2 3.27Å; L190-I590 HydrophobicContact CD1-CD1 4.36Å; L190-I590 HydrophobicContact CD2-CD1 3.7Å; T242-I590 HydrophobicContact CG2-CD1 3.51Å; T242-I590 HydrophobicContact CG2-CG1 3.78Å; F246-I590 HydrophobicContact CE2-CG2 4.09Å; F246-I590 HydrophobicContact CZ-CG2 3.89Å; N586-I590 VanDerWaalsContact O-CG1 3.32Å; N586-I590 WeakPolarHBondContact O-CG1 3.27Å; N586-I590 PolarHBondContact O-N 2.96Å; N586-I590 VanDerWaalsContact O-N 3.08Å; A587-I590 WeakPolarHBondContact O-CB 3.45Å; A587-I590 PolarHBondContact O-N 3.09Å; A587-I590 VanDerWaalsContact O-N 3.1Å; I590-I592 PolarHBondContact O-N 2.89Å; I590-G593 WeakPolarHBondContact O-CA 3.31Å; I590-G593 PolarHBondContact O-N 3.34Å; I590-G593 VanDerWaalsContact O-N 3.09Å; I590-E594 PolarHBondContact O-N 3.27Å |
| 591 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.008 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M163 F167 A587 P588 G593 E594 K595 | M163-A591 HydrophobicContact CE-CB 3.74Å; F167-A591 HydrophobicContact CD1-CB 3.72Å; F167-A591 HydrophobicContact CD2-CB 4.35Å; F167-A591 HydrophobicContact CE1-CB 3.54Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; F167-A591 HydrophobicContact CG-CB 4.11Å; F167-A591 HydrophobicContact CZ-CB 3.76Å; A587-A591 PolarHBondContact O-N 3.02Å; P588-A591 PolarHBondContact O-N 3.18Å; A591-G593 VanDerWaalsContact C-N 3.32Å; A591-G593 PolarHBondContact O-N 2.92Å; A591-E594 PolarHBondContact O-N 2.95Å; A591-K595 WeakPolarHBondContact O-CB 3.48Å; A591-K595 PolarHBondContact O-N 3.28Å |
| 592 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 169.7 | -74.9 | 160.4 | 0 | 0 | 0 | 110.2 | W158 L561 V572 I576 M577 P588 V589 I590 K595 A596 | W158-I592 HydrophobicContact CH2-CG1 4.09Å; W158-I592 HydrophobicContact CH2-CG2 4.4Å; W158-I592 HydrophobicContact CZ3-CG1 3.73Å; L561-I592 HydrophobicContact CD1-CG2 4.42Å; V572-I592 HydrophobicContact CG1-CG2 3.83Å; I576-I592 HydrophobicContact CD1-CD1 3.98Å; I576-I592 HydrophobicContact CD1-CG1 4.29Å; I576-I592 HydrophobicContact CD1-CG2 4.47Å; I576-I592 HydrophobicContact CG1-CD1 4.32Å; I576-I592 HydrophobicContact CG1-CG2 4.29Å; M577-I592 HydrophobicContact CE-CD1 3.54Å; M577-I592 HydrophobicContact CG-CD1 4.12Å; P588-I592 WeakPolarHBondContact O-CB 3.38Å; P588-I592 VanDerWaalsContact O-CG1 3.27Å; P588-I592 WeakPolarHBondContact O-CG1 3.26Å; P588-I592 PolarHBondContact O-N 3.2Å; V589-I592 WeakPolarHBondContact O-CB 3.33Å; V589-I592 PolarHBondContact O-N 2.94Å; I590-I592 PolarHBondContact O-N 2.89Å; I592-K595 PolarHBondContact O-N 2.87Å; I592-A596 WeakPolarHBondContact O-CB 3.46Å; I592-A596 PolarHBondContact O-N 3.07Å |
| 593 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V589 I590 A591 S597 | V589-G593 PolarHBondContact O-N 3.04Å; I590-G593 WeakPolarHBondContact O-CA 3.31Å; I590-G593 PolarHBondContact O-N 3.34Å; I590-G593 VanDerWaalsContact O-N 3.09Å; A591-G593 VanDerWaalsContact C-N 3.32Å; A591-G593 PolarHBondContact O-N 2.92Å; G593-S597 WeakPolarHBondContact O-CB 3.29Å; G593-S597 PolarHBondContact O-N 2.67Å; G593-S597 PolarHBondContact O-OG 3.17Å |
| 594 | E | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.8 | -78.6 | -62.9 | 174.2 | 0 | 0 | 112.1 | V57 R61 Y166 K169 S170 I590 A591 S597 D598 | V57-E594 HydrophobicContact CG1-CB 4.34Å; V57-E594 HydrophobicContact CG1-CG 3.73Å; R61-E594 IonicContact CZ-OE1 2.68Å; R61-E594 IonicContact CZ-OE2 2.72Å; R61-E594 VanDerWaalsContact NE-CD 3.29Å; R61-E594 IonicContact NE-OE1 3.24Å; R61-E594 PolarHBondContact NE-OE1 3.21Å; R61-E594 IonicContact NE-OE2 3.89Å; R61-E594 PolarHBondContact NE-OE2 2.89Å; R61-E594 IonicContact NH2-OE1 3.63Å; R61-E594 PolarHBondContact NH2-OE1 2.72Å; R61-E594 IonicContact NH2-OE2 3.68Å; Y166-E594 HydrophobicContact CD1-CB 3.74Å; Y166-E594 HydrophobicContact CG-CB 4.18Å; K169-E594 HydrophobicContact CD-CG 4.36Å; K169-E594 VanDerWaalsContact CD-OE2 3.26Å; K169-E594 WeakPolarHBondContact CD-OE2 3.23Å; K169-E594 WeakPolarHBondContact CE-OE2 3.17Å; K169-E594 IonicContact NZ-OE2 2.85Å; K169-E594 PolarHBondContact NZ-OE2 2.87Å; S170-E594 WeakPolarHBondContact OG-CG 3.27Å; S170-E594 PolarHBondContact OG-OE1 3.16Å; I590-E594 PolarHBondContact O-N 3.27Å; A591-E594 PolarHBondContact O-N 2.95Å; E594-S597 WeakPolarHBondContact O-CB 3.33Å; E594-S597 PolarHBondContact O-N 2.68Å; E594-D598 PolarHBondContact O-N 3.43Å |
| 595 | K | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 178 | -179.5 | 169.8 | 171.8 | -178.3 | 0 | 111.9 | G157 W158 M163 Y166 A591 I592 S597 D598 L599 | G157-K595 PolarHBondContact O-NZ 2.78Å; W158-K595 HydrophobicContact CD2-CD 4.22Å; W158-K595 HydrophobicContact CE3-CD 4.1Å; W158-K595 HydrophobicContact CH2-CD 3.83Å; W158-K595 HydrophobicContact CH2-CG 4.46Å; W158-K595 HydrophobicContact CZ2-CD 3.91Å; W158-K595 HydrophobicContact CZ3-CD 3.9Å; W158-K595 VanDerWaalsContact NE1-NZ 3.14Å; M163-K595 HydrophobicContact SD-CD 3.79Å; Y166-K595 HydrophobicContact CD1-CB 4.22Å; Y166-K595 HydrophobicContact CD2-CB 3.63Å; Y166-K595 HydrophobicContact CD2-CD 4.18Å; Y166-K595 HydrophobicContact CD2-CG 4.08Å; Y166-K595 HydrophobicContact CE1-CB 4.15Å; Y166-K595 HydrophobicContact CE2-CB 3.56Å; Y166-K595 HydrophobicContact CE2-CD 3.78Å; Y166-K595 HydrophobicContact CE2-CG 3.54Å; Y166-K595 HydrophobicContact CG-CB 3.96Å; A591-K595 WeakPolarHBondContact O-CB 3.48Å; A591-K595 PolarHBondContact O-N 3.28Å; I592-K595 PolarHBondContact O-N 2.87Å; K595-S597 PolarHBondContact O-N 2.82Å; K595-D598 PolarHBondContact O-N 3.01Å; K595-D598 VanDerWaalsContact O-N 3.11Å; K595-L599 HydrophobicContact CG-CD1 4.06Å; K595-L599 HydrophobicContact CG-CG 4.33Å; K595-L599 WeakPolarHBondContact O-CG 3.41Å; K595-L599 PolarHBondContact O-N 3.19Å |
| 596 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.2 | -39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | V58 L561 V572 I592 D598 L599 I600 | V58-A596 HydrophobicContact CG2-CB 4.41Å; L561-A596 HydrophobicContact CD1-CB 3.69Å; V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.37Å; V572-A596 HydrophobicContact CG2-CB 3.72Å; I592-A596 WeakPolarHBondContact O-CB 3.46Å; I592-A596 PolarHBondContact O-N 3.07Å; A596-D598 VanDerWaalsContact C-N 3.34Å; A596-D598 PolarHBondContact O-N 2.98Å; A596-L599 PolarHBondContact O-N 2.85Å; A596-I600 WeakPolarHBondContact O-CB 3.24Å; A596-I600 WeakPolarHBondContact O-CD1 3.45Å; A596-I600 WeakPolarHBondContact O-CG1 3.21Å; A596-I600 PolarHBondContact O-N 3.06Å |
| 597 | S | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | V58 R61 G593 E594 K595 K601 | V58-S597 WeakPolarHBondContact CA-OG 3.34Å; R61-S597 WeakPolarHBondContact CB-OG 3.31Å; G593-S597 WeakPolarHBondContact O-CB 3.29Å; G593-S597 PolarHBondContact O-N 2.67Å; G593-S597 PolarHBondContact O-OG 3.17Å; E594-S597 WeakPolarHBondContact O-CB 3.33Å; E594-S597 PolarHBondContact O-N 2.68Å; K595-S597 PolarHBondContact O-N 2.82Å; S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 VanDerWaalsContact O-CG 3.26Å; S597-K601 WeakPolarHBondContact O-CG 3.31Å; S597-K601 PolarHBondContact O-N 2.93Å |
| 598 | D | 98.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.7 | -85.4 | 26.3 | 0 | 0 | 0 | 111.3 | Y166 K169 E594 K595 A596 I600 K601 E602 R608 | Y166-D598 HydrophobicContact CE1-CB 4.22Å; K169-D598 IonicContact NZ-OD1 3.4Å; K169-D598 PolarHBondContact NZ-OD1 2.76Å; K169-D598 VanDerWaalsContact NZ-OD1 3.11Å; E594-D598 PolarHBondContact O-N 3.43Å; K595-D598 PolarHBondContact O-N 3.01Å; K595-D598 VanDerWaalsContact O-N 3.11Å; A596-D598 VanDerWaalsContact C-N 3.34Å; A596-D598 PolarHBondContact O-N 2.98Å; D598-I600 PolarHBondContact O-N 2.79Å; D598-K601 PolarHBondContact O-N 3.13Å; D598-E602 WeakPolarHBondContact O-CB 3.48Å; D598-E602 PolarHBondContact O-N 3.39Å; D598-R608 IonicContact OD2-CZ 3.43Å; D598-R608 IonicContact OD2-NE 3.01Å; D598-R608 IonicContact OD2-NH2 3.74Å; D598-R608 PolarHBondContact OD2-NH2 2.68Å |
| 599 | L | 98.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.3 | -67.4 | 171.1 | 0 | 0 | 0 | 112.3 | R560 K595 A596 E602 D603 | R560-L599 PolarHBondContact NH2-O 3.15Å; K595-L599 HydrophobicContact CG-CD1 4.06Å; K595-L599 HydrophobicContact CG-CG 4.33Å; K595-L599 WeakPolarHBondContact O-CG 3.41Å; K595-L599 PolarHBondContact O-N 3.19Å; A596-L599 PolarHBondContact O-N 2.85Å; L599-E602 PolarHBondContact O-N 2.95Å; L599-D603 WeakPolarHBondContact O-CB 3.42Å; L599-D603 PolarHBondContact O-N 2.91Å |
| 600 | I | 98.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.8 | -67.2 | 160.6 | 0 | 0 | 0 | 110.1 | F46 V58 L62 I296 A596 D598 E602 D603 W604 | F46-I600 HydrophobicContact CD1-CG2 4.39Å; F46-I600 HydrophobicContact CE1-CG2 3.5Å; F46-I600 HydrophobicContact CZ-CG2 3.69Å; V58-I600 HydrophobicContact CG1-CD1 4.35Å; L62-I600 HydrophobicContact CD1-CD1 4.47Å; L62-I600 HydrophobicContact CD2-CB 4.06Å; L62-I600 HydrophobicContact CD2-CD1 4.49Å; L62-I600 HydrophobicContact CD2-CG2 3.61Å; I296-I600 HydrophobicContact CD1-CD1 3.65Å; I296-I600 HydrophobicContact CG1-CD1 4.35Å; A596-I600 WeakPolarHBondContact O-CB 3.24Å; A596-I600 WeakPolarHBondContact O-CD1 3.45Å; A596-I600 WeakPolarHBondContact O-CG1 3.21Å; A596-I600 PolarHBondContact O-N 3.06Å; D598-I600 PolarHBondContact O-N 2.79Å; I600-E602 VanDerWaalsContact C-N 3.33Å; I600-E602 PolarHBondContact O-N 3.46Å; I600-D603 PolarHBondContact O-N 3.3Å; I600-W604 WeakPolarHBondContact O-CB 3.35Å; I600-W604 VanDerWaalsContact O-CD1 3.26Å; I600-W604 PolarHBondContact O-N 2.86Å; I600-W604 VanDerWaalsContact O-N 3.09Å |
| 601 | K | 98.5 | Very high | 86.6 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.4 | -79.5 | 174.6 | -177.9 | 179.9 | 0 | 112 | R61 E64 W68 S597 D598 W604 G605 V606 | R61-K601 WeakPolarHBondContact O-CE 3.46Å; R61-K601 PolarHBondContact O-NZ 3.16Å; E64-K601 IonicContact OE2-NZ 3.49Å; E64-K601 PolarHBondContact OE2-NZ 3.43Å; W68-K601 HydrophobicContact CH2-CG 4.14Å; W68-K601 HydrophobicContact CZ3-CG 3.96Å; S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 VanDerWaalsContact O-CG 3.26Å; S597-K601 WeakPolarHBondContact O-CG 3.31Å; S597-K601 PolarHBondContact O-N 2.93Å; D598-K601 PolarHBondContact O-N 3.13Å; K601-W604 CarbonylContact O-C 3.48Å; K601-W604 PolarHBondContact O-N 3.19Å; K601-G605 PolarHBondContact O-N 3.09Å; K601-V606 HydrophobicContact CB-CB 4Å; K601-V606 HydrophobicContact CB-CG1 4.43Å; K601-V606 HydrophobicContact CG-CB 4.29Å; K601-V606 HydrophobicContact CG-CG1 4.41Å; K601-V606 WeakPolarHBondContact O-CB 3.46Å; K601-V606 PolarHBondContact O-N 3.13Å |
| 602 | E | 97.7 | Very high | 83.4 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -52.5 | 175.3 | -176.7 | -172.7 | -164.8 | 0 | 0 | 111.7 | R560 D598 L599 I600 W604 G605 | R560-E602 IonicContact CZ-OE2 2.78Å; R560-E602 IonicContact NH1-OE2 2.89Å; R560-E602 PolarHBondContact NH1-OE2 2.98Å; R560-E602 IonicContact NH2-OE2 3.98Å; R560-E602 PolarHBondContact NH2-OE2 2.91Å; D598-E602 WeakPolarHBondContact O-CB 3.48Å; D598-E602 PolarHBondContact O-N 3.39Å; L599-E602 PolarHBondContact O-N 2.95Å; I600-E602 VanDerWaalsContact C-N 3.33Å; I600-E602 PolarHBondContact O-N 3.46Å; E602-W604 PolarHBondContact O-N 2.91Å; E602-W604 VanDerWaalsContact O-N 3.13Å; E602-G605 PolarHBondContact O-N 3.44Å |
| 603 | D | 98 | Very high | 80.5 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 34% | 0.342 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -26 | -178.2 | -76.2 | -17.5 | 0 | 0 | 0 | 112.8 | R560 R570 L599 I600 | R560-D603 IonicContact CZ-OD1 3.5Å; R560-D603 IonicContact CZ-OD2 2.85Å; R560-D603 IonicContact NE-OD1 2.9Å; R560-D603 PolarHBondContact NE-OD1 3.07Å; R560-D603 IonicContact NE-OD2 3.84Å; R560-D603 PolarHBondContact NE-OD2 2.85Å; R560-D603 VanDerWaalsContact NE-OD2 3.17Å; R560-D603 IonicContact NH2-OD1 3.97Å; R560-D603 PolarHBondContact NH2-OD1 3.41Å; R560-D603 IonicContact NH2-OD2 3.23Å; R560-D603 PolarHBondContact NH2-OD2 3.23Å; R570-D603 IonicContact CZ-OD2 2.68Å; R570-D603 VanDerWaalsContact CZ-OD2 3.23Å; R570-D603 IonicContact NH1-OD2 3.06Å; R570-D603 PolarHBondContact NH1-OD2 2.98Å; R570-D603 IonicContact NH2-OD2 3.4Å; R570-D603 PolarHBondContact NH2-OD2 3.36Å; L599-D603 WeakPolarHBondContact O-CB 3.42Å; L599-D603 PolarHBondContact O-N 2.91Å; I600-D603 PolarHBondContact O-N 3.3Å |
| 604 | W | 97.2 | Very high | 79.6 | Confident | 87 Ų | 87 | 77 Ų | 77 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 16.9 | 178.1 | -72.8 | 99.2 | 0 | 0 | 0 | 114.2 | F46 W68 R293 E294 I600 K601 E602 V606 | F46-W604 AromaticContact CZ-CD1 3.84Å; F46-W604 HydrophobicContact CZ-CG 4.24Å; W68-W604 HydrophobicContact CH2-CB 3.84Å; W68-W604 HydrophobicContact CZ2-CB 3.61Å; W68-W604 HydrophobicContact CZ2-CG 4.46Å; R293-W604 HydrophobicContact CB-CD2 4.24Å; R293-W604 HydrophobicContact CB-CH2 3.77Å; R293-W604 HydrophobicContact CB-CZ2 3.41Å; R293-W604 VanDerWaalsContact CB-CZ2 3.41Å; R293-W604 HydrophobicContact CB-CZ3 4.32Å; R293-W604 HydrophobicContact CG-CD2 4.14Å; R293-W604 HydrophobicContact CG-CE3 4.04Å; R293-W604 HydrophobicContact CG-CH2 3.76Å; R293-W604 HydrophobicContact CG-CZ2 3.89Å; R293-W604 HydrophobicContact CG-CZ3 3.84Å; E294-W604 HydrophobicContact CG-CZ2 4.05Å; E294-W604 PolarHBondContact OE1-NE1 2.81Å; I600-W604 WeakPolarHBondContact O-CB 3.35Å; I600-W604 VanDerWaalsContact O-CD1 3.26Å; I600-W604 PolarHBondContact O-N 2.86Å; I600-W604 VanDerWaalsContact O-N 3.09Å; K601-W604 CarbonylContact O-C 3.48Å; K601-W604 PolarHBondContact O-N 3.19Å; E602-W604 PolarHBondContact O-N 2.91Å; E602-W604 VanDerWaalsContact O-N 3.13Å; W604-V606 PolarHBondContact O-N 3.23Å |
| 605 | G | 93.6 | Very high | 78.5 | Confident | 64 Ų | 64 | 81 Ų | 81 | 66% | 0.66 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 16.2 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | K601 E602 R607 | K601-G605 PolarHBondContact O-N 3.09Å; E602-G605 PolarHBondContact O-N 3.44Å; G605-R607 PolarHBondContact O-N 3.15Å |
| 606 | V | 89.9 | Confident | 77.4 | Confident | 47 Ų | 47 | 85 Ų | 85 | 29% | 0.285 | 48% | 0.478 | S | S | . | . | trans | -79.1 | 101.9 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | V65 W68 K601 W604 | V65-V606 HydrophobicContact CG1-CG2 4.22Å; V65-V606 HydrophobicContact CG2-CG1 4.07Å; V65-V606 HydrophobicContact CG2-CG2 4.13Å; W68-V606 HydrophobicContact CH2-CB 4.5Å; W68-V606 HydrophobicContact CH2-CG2 3.48Å; W68-V606 VanDerWaalsContact CH2-CG2 3.48Å; W68-V606 HydrophobicContact CZ2-CG2 3.27Å; W68-V606 HydrophobicContact CZ3-CG2 4.31Å; K601-V606 HydrophobicContact CB-CB 4Å; K601-V606 HydrophobicContact CB-CG1 4.43Å; K601-V606 HydrophobicContact CG-CB 4.29Å; K601-V606 HydrophobicContact CG-CG1 4.41Å; K601-V606 WeakPolarHBondContact O-CB 3.46Å; K601-V606 PolarHBondContact O-N 3.13Å; W604-V606 PolarHBondContact O-N 3.23Å | ||
| 607 | R | 70.9 | Confident | 76.2 | Confident | 231 Ų | 231 | 89.9 Ų | 89.9 | 87% | 0.872 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 137.7 | 172.4 | -65.8 | -175 | -178.9 | -176.4 | 0.1 | 109.4 | G605 A609 | G605-R607 PolarHBondContact O-N 3.15Å; R607-A609 PolarHBondContact O-N 3.05Å |
| 608 | R | 57.8 | Low | 74.7 | Confident | 156 Ų | 156 | 95.6 Ų | 95.6 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 126.7 | 167.7 | -77.6 | -176.4 | 173.4 | 153.2 | 4.4 | 107.7 | K165 D598 H610 | K165-R608 VanDerWaalsContact NZ-CZ 3.29Å; K165-R608 VanDerWaalsContact NZ-NH2 3.1Å; D598-R608 IonicContact OD2-CZ 3.43Å; D598-R608 IonicContact OD2-NE 3.01Å; D598-R608 IonicContact OD2-NH2 3.74Å; D598-R608 PolarHBondContact OD2-NH2 2.68Å; R608-H610 PolarHBondContact O-N 3.44Å; R608-H610 VanDerWaalsContact O-N 3.12Å |
| 609 | A | 52.9 | Low | 73.2 | Confident | 90 Ų | 90 | 100.3 Ų | 100.3 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | R607 T611 | R607-A609 PolarHBondContact O-N 3.05Å; A609-T611 PolarHBondContact O-N 3Å |
| 610 | H | 36.8 | Very low | 71.4 | Confident | 187 Ų | 187 | 106.1 Ų | 106.1 | 87% | 0.866 | 60% | 0.597 | S | S | * | * | trans | -58.4 | 107.5 | 168.7 | -83.9 | -65.1 | 0 | 0 | 0 | 106.6 | R608 S612 | R608-H610 PolarHBondContact O-N 3.44Å; R608-H610 VanDerWaalsContact O-N 3.12Å; H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.21Å | ||
| 611 | T | 38.1 | Very low | 69.3 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | trans | -66.4 | 99.5 | 155.9 | 45.9 | 0 | 0 | 0 | 0 | 104.7 | A609 A613 | A609-T611 PolarHBondContact O-N 3Å; T611-A613 PolarHBondContact O-N 3.12Å; T611-A613 VanDerWaalsContact O-N 3.15Å | ||
| 612 | S | 32.5 | Very low | 66.8 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -54.4 | 117.2 | 159.9 | 49.4 | 0 | 0 | 0 | 0 | 106.3 | H610 | H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.21Å | ||
| 613 | A | 36.6 | Very low | 64 | Low | 171 Ų | 171 | 121.8 Ų | 121.8 | 100% | 1.413 | 70% | 0.699 | S | S | * | * | trans | -59.1 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T611 | T611-A613 PolarHBondContact O-N 3.12Å; T611-A613 VanDerWaalsContact O-N 3.15Å |
Retrieved 613 of 613 residues in 396.5 ms
(Link to these results)