| 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 | 40.7 | Very low | 46.5 | Very low | 245 Ų | 245 | 133.5 Ų | 133.5 | 100% | 1.207 | 72% | 0.72 | S | S | * | * | 0 | 97.1 | 0 | -68.8 | 176.4 | -170.1 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 2.73Š| |||
| 2 | T | 40.5 | Very low | 47.3 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 83% | 0.828 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 110.4 | -179.6 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | L4 | T2-L4 PolarHBondContact O-N 2.97Å; T2-L4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 39.5 | Very low | 47.5 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | trans | -70.6 | 108.3 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 108.7 | M1 T5 | M1-S3 PolarHBondContact O-N 2.73Å; S3-T5 PolarHBondContact O-N 2.76Å; S3-T5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | L | 41.5 | Very low | 47.8 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | trans | -71.8 | 98.5 | 165.5 | -92.3 | 123 | 0 | 0 | 0 | 107.6 | T2 V6 | T2-L4 PolarHBondContact O-N 2.97Å; T2-L4 VanDerWaalsContact O-N 3.16Å; L4-V6 VanDerWaalsContact C-N 3.32Å; L4-V6 PolarHBondContact O-N 2.8Å | ||
| 5 | T | 45 | Very low | 48.2 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -71.5 | 89.3 | 168.4 | 39.2 | 0 | 0 | 0 | 0 | 108.7 | S3 S7 | S3-T5 PolarHBondContact O-N 2.76Å; S3-T5 VanDerWaalsContact O-N 3.09Å; T5-S7 PolarHBondContact O-N 3.03Å; T5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | V | 44.5 | Very low | 48.3 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | trans | -66.7 | 112.5 | 169.1 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | L4 W8 V11 | L4-V6 VanDerWaalsContact C-N 3.32Å; L4-V6 PolarHBondContact O-N 2.8Å; V6-W8 PolarHBondContact O-N 2.66Å; V6-V11 HydrophobicContact CG1-CG2 3.95Å | ||
| 7 | S | 50.1 | Low | 48.1 | Very low | 61 Ų | 61 | 122.6 Ų | 122.6 | 43% | 0.427 | 66% | 0.66 | S | S | . | * | trans | -66.3 | 130.4 | 177 | 120.9 | 0 | 0 | 0 | 0 | 109.8 | T5 K9 S10 | T5-S7 PolarHBondContact O-N 3.03Å; T5-S7 VanDerWaalsContact O-N 3.15Å; S7-K9 PolarHBondContact O-N 3.44Å; S7-K9 PolarHBondContact OG-N 2.93Å; S7-S10 WeakPolarHBondContact O-CB 3.47Å; S7-S10 PolarHBondContact O-N 3.41Å | ||
| 8 | W | 52 | Low | 48.2 | Very low | 228 Ų | 228 | 121 Ų | 121 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56 | -24.1 | 178.3 | -76.4 | 77.8 | 0 | 0 | 0 | 113.6 | V6 S10 V11 S12 | V6-W8 PolarHBondContact O-N 2.66Å; W8-S10 VanDerWaalsContact C-N 3.29Å; W8-S10 PolarHBondContact O-N 3.05Å; W8-V11 PolarHBondContact O-N 2.83Å; W8-S12 PolarHBondContact O-N 2.94Å; W8-S12 VanDerWaalsContact O-N 3.09Å |
| 9 | K | 51.3 | Low | 47.9 | Very low | 176 Ų | 176 | 120.7 Ų | 120.7 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.3 | -33.4 | 175 | -71.5 | -172.9 | 174.5 | -176.4 | 0 | 112.5 | S7 L13 | S7-K9 PolarHBondContact O-N 3.44Å; S7-K9 PolarHBondContact OG-N 2.93Å; K9-L13 PolarHBondContact O-N 3.17Å |
| 10 | S | 51.8 | Low | 47.7 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.5 | -35.1 | -179.8 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | S7 W8 L14 | S7-S10 WeakPolarHBondContact O-CB 3.47Å; S7-S10 PolarHBondContact O-N 3.41Å; W8-S10 VanDerWaalsContact C-N 3.29Å; W8-S10 PolarHBondContact O-N 3.05Å; S10-L14 PolarHBondContact O-N 3.46Å |
| 11 | V | 55.3 | Low | 47.5 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.8 | -41.7 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | V6 W8 L13 L14 V15 | V6-V11 HydrophobicContact CG1-CG2 3.95Å; W8-V11 PolarHBondContact O-N 2.83Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.48Å; V11-L14 PolarHBondContact O-N 3.3Å; V11-V15 HydrophobicContact CG1-CG2 4.23Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.08Å; V11-V15 PolarHBondContact O-N 3.08Å |
| 12 | S | 55.1 | Low | 47.4 | Very low | 72 Ų | 72 | 111.4 Ų | 111.4 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.1 | -42.1 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | W8 V15 S16 | W8-S12 PolarHBondContact O-N 2.94Å; W8-S12 VanDerWaalsContact O-N 3.09Å; S12-V15 PolarHBondContact O-N 3.29Å; S12-S16 WeakPolarHBondContact O-CB 3.06Å; S12-S16 PolarHBondContact O-N 3.46Å; S12-S16 PolarHBondContact O-OG 3.34Å; S12-S16 VanDerWaalsContact O-OG 3.06Å |
| 13 | L | 50.9 | Low | 47.4 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -41 | 178.8 | -122.8 | 93.3 | 0 | 0 | 0 | 111.7 | K9 V11 S16 Y17 | K9-L13 PolarHBondContact O-N 3.17Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.48Å; L13-S16 PolarHBondContact O-N 2.85Å; L13-Y17 WeakPolarHBondContact O-CB 3.47Å; L13-Y17 PolarHBondContact O-N 2.9Å |
| 14 | L | 50.9 | Low | 47.4 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.2 | -42.3 | 177.6 | -119.2 | 103.2 | 0 | 0 | 0 | 111.7 | S10 V11 Y17 V18 | S10-L14 PolarHBondContact O-N 3.46Å; V11-L14 PolarHBondContact O-N 3.3Å; L14-Y17 PolarHBondContact O-N 3.01Å; L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 2.94Å |
| 15 | V | 54.2 | Low | 47.5 | Very low | 76 Ų | 76 | 109.1 Ų | 109.1 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 177.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | V11 S12 Y17 V18 L19 | V11-V15 HydrophobicContact CG1-CG2 4.23Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.08Å; V11-V15 PolarHBondContact O-N 3.08Å; S12-V15 PolarHBondContact O-N 3.29Å; V15-Y17 VanDerWaalsContact C-N 3.35Å; V15-Y17 PolarHBondContact O-N 2.92Å; V15-V18 PolarHBondContact O-N 3.42Å; V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 VanDerWaalsContact O-CB 3.27Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.2Å; V15-L19 PolarHBondContact O-N 2.74Å |
| 16 | S | 50.4 | Low | 47.3 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 172.9 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | S12 L13 L19 L20 | S12-S16 WeakPolarHBondContact O-CB 3.06Å; S12-S16 PolarHBondContact O-N 3.46Å; S12-S16 PolarHBondContact O-OG 3.34Å; S12-S16 VanDerWaalsContact O-OG 3.06Å; L13-S16 PolarHBondContact O-N 2.85Å; S16-L19 PolarHBondContact O-N 3.31Å; S16-L20 WeakPolarHBondContact O-CB 3.31Å; S16-L20 WeakPolarHBondContact O-CD1 3.35Å; S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 2.88Å |
| 17 | Y | 43.4 | Very low | 47.3 | Very low | 161 Ų | 161 | 115.2 Ų | 115.2 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -39.8 | 177.7 | -131.9 | -88.6 | 0 | 0 | 0 | 112.3 | L13 L14 V15 L20 L21 | L13-Y17 WeakPolarHBondContact O-CB 3.47Å; L13-Y17 PolarHBondContact O-N 2.9Å; L14-Y17 PolarHBondContact O-N 3.01Å; V15-Y17 VanDerWaalsContact C-N 3.35Å; V15-Y17 PolarHBondContact O-N 2.92Å; Y17-L20 PolarHBondContact O-N 3.36Å; Y17-L21 HydrophobicContact CD1-CD1 3.85Å; Y17-L21 HydrophobicContact CD1-CG 4.28Å; Y17-L21 HydrophobicContact CE1-CD1 4.3Å; Y17-L21 WeakPolarHBondContact O-CB 3.44Å; Y17-L21 WeakPolarHBondContact O-CG 3.21Å; Y17-L21 PolarHBondContact O-N 2.73Å |
| 18 | V | 50.5 | Low | 47.6 | Very low | 93 Ų | 93 | 116.9 Ų | 116.9 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.7 | -36.3 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 111 | L14 V15 G22 | L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 2.94Å; V15-V18 PolarHBondContact O-N 3.42Å; V18-G22 WeakPolarHBondContact O-CA 3.46Å; V18-G22 PolarHBondContact O-N 3.3Å |
| 19 | L | 43.5 | Very low | 48.5 | Very low | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.6 | -38 | 173 | -77.1 | 165.6 | 0 | 0 | 0 | 111.7 | V15 S16 G22 S23 | V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 VanDerWaalsContact O-CB 3.27Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.2Å; V15-L19 PolarHBondContact O-N 2.74Å; S16-L19 PolarHBondContact O-N 3.31Å; L19-G22 PolarHBondContact O-N 3.12Å; L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 2.91Å; L19-S23 PolarHBondContact O-OG 2.8Å; L19-S23 VanDerWaalsContact O-OG 3.05Å |
| 20 | L | 43.1 | Very low | 50.2 | Low | 120 Ų | 120 | 108.9 Ų | 108.9 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71 | -34.2 | 176.1 | -84.5 | 155.4 | 0 | 0 | 0 | 112.9 | S16 Y17 S23 Q24 | S16-L20 WeakPolarHBondContact O-CB 3.31Å; S16-L20 WeakPolarHBondContact O-CD1 3.35Å; S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 2.88Å; Y17-L20 PolarHBondContact O-N 3.36Å; L20-S23 CarbonylContact O-C 3.52Å; L20-Q24 PolarHBondContact O-N 2.9Å |
| 21 | L | 42.6 | Very low | 52.2 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.6 | -36.5 | 172.7 | -72.4 | 170.2 | 0 | 0 | 0 | 111.9 | Y17 S23 Q24 | Y17-L21 HydrophobicContact CD1-CD1 3.85Å; Y17-L21 HydrophobicContact CD1-CG 4.28Å; Y17-L21 HydrophobicContact CE1-CD1 4.3Å; Y17-L21 WeakPolarHBondContact O-CB 3.44Å; Y17-L21 WeakPolarHBondContact O-CG 3.21Å; Y17-L21 PolarHBondContact O-N 2.73Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-Q24 PolarHBondContact O-N 3.1Å |
| 22 | G | 40.4 | Very low | 54.2 | Low | 68 Ų | 68 | 105.9 Ų | 105.9 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.2 | -23.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V18 L19 Q24 | V18-G22 WeakPolarHBondContact O-CA 3.46Å; V18-G22 PolarHBondContact O-N 3.3Å; L19-G22 PolarHBondContact O-N 3.12Å; G22-Q24 VanDerWaalsContact C-N 3.33Å |
| 23 | S | 40.5 | Very low | 56.3 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 29.7 | 170.2 | 82.8 | 0 | 0 | 0 | 0 | 112 | L19 L20 L21 V25 | L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 2.91Å; L19-S23 PolarHBondContact O-OG 2.8Å; L19-S23 VanDerWaalsContact O-OG 3.05Å; L20-S23 CarbonylContact O-C 3.52Å; L21-S23 VanDerWaalsContact C-N 3.31Å; S23-V25 PolarHBondContact O-N 3.43Å |
| 24 | Q | 39.8 | Very low | 58.5 | Low | 152 Ų | 152 | 96.5 Ų | 96.5 | 71% | 0.71 | 51% | 0.511 | S | S | * | . | trans | -55.9 | 90.4 | 141.2 | -88.1 | 175.9 | -21.9 | 0 | 0 | 105.1 | L20 L21 G22 K26 | L20-Q24 PolarHBondContact O-N 2.9Å; L21-Q24 PolarHBondContact O-N 3.1Å; G22-Q24 VanDerWaalsContact C-N 3.33Å; Q24-K26 PolarHBondContact O-N 3.43Å | ||
| 25 | V | 42.5 | Very low | 60.8 | Low | 122 Ų | 122 | 90.7 Ų | 90.7 | 74% | 0.739 | 48% | 0.48 | S | S | * | . | trans | -39.8 | 100.7 | 148.3 | 177.3 | 0 | 0 | 0 | 0 | 102.1 | S23 M27 | S23-V25 PolarHBondContact O-N 3.43Å; V25-M27 PolarHBondContact O-N 2.96Å | ||
| 26 | K | 41 | Very low | 63 | Low | 182 Ų | 182 | 87.4 Ų | 87.4 | 79% | 0.791 | 46% | 0.46 | S | S | * | . | trans | -48.5 | 109.6 | 171.2 | -97.2 | -174.1 | 170.9 | -172.1 | 0 | 101.8 | Q24 D28 | Q24-K26 PolarHBondContact O-N 3.43Å; K26-D28 WeakPolarHBondContact O-CA 3.26Å; K26-D28 PolarHBondContact O-N 3.48Å | ||
| 27 | M | 44.8 | Very low | 65.3 | Low | 173 Ų | 173 | 85 Ų | 85 | 85% | 0.852 | 45% | 0.445 | S | S | * | . | trans | -56.1 | 107.8 | 176.7 | -81.1 | -166.9 | 68.3 | 0 | 0 | 103 | V25 E29 | V25-M27 PolarHBondContact O-N 2.96Å; M27-E29 WeakPolarHBondContact O-CA 3.3Å; M27-E29 PolarHBondContact O-N 3.2Å | ||
| 28 | D | 56 | Low | 67.9 | Low | 96 Ų | 96 | 77.3 Ų | 77.3 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | trans | -68.9 | 103.8 | -150.8 | -167.9 | -13.2 | 0 | 0 | 0 | 105.9 | K26 Q30 R501 | K26-D28 WeakPolarHBondContact O-CA 3.26Å; K26-D28 PolarHBondContact O-N 3.48Å; D28-Q30 PolarHBondContact O-N 3.03Å; D28-R501 PolarHBondContact O-NH2 2.83Å; D28-R501 IonicContact OD1-CZ 2.69Å; D28-R501 VanDerWaalsContact OD1-CZ 3.24Å; D28-R501 IonicContact OD1-NE 3.52Å; D28-R501 PolarHBondContact OD1-NE 3.09Å; D28-R501 IonicContact OD1-NH1 3.42Å; D28-R501 IonicContact OD1-NH2 2.71Å; D28-R501 PolarHBondContact OD1-NH2 3.15Å; D28-R501 IonicContact OD2-CZ 3.45Å; D28-R501 IonicContact OD2-NE 2.7Å; D28-R501 IonicContact OD2-NH1 3.2Å; D28-R501 PolarHBondContact OD2-NH1 2.92Å; D28-R501 IonicContact OD2-NH2 3.96Å; D28-R501 PolarHBondContact OD2-NH2 3.45Å | ||
| 29 | E | 71.6 | Confident | 70.2 | Confident | 169 Ų | 169 | 73.4 Ų | 73.4 | 79% | 0.79 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -52 | 131.1 | -154.4 | -78.7 | 179 | -179.7 | 0 | 0 | 110.2 | M27 K31 | M27-E29 WeakPolarHBondContact O-CA 3.3Å; M27-E29 PolarHBondContact O-N 3.2Å; E29-K31 PolarHBondContact O-N 3.19Å |
| 30 | Q | 87 | Confident | 72.8 | Confident | 67 Ų | 67 | 68 Ų | 68 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 123.8 | -177.2 | -165.9 | -173.2 | 35.3 | 0 | 0 | 109 | D28 N53 H183 | D28-Q30 PolarHBondContact O-N 3.03Å; Q30-N53 WeakPolarHBondContact CG-O 3.44Å; Q30-H183 PolarHBondContact NE2-CE1 2.88Å; Q30-H183 PolarHBondContact NE2-ND1 2.85Å |
| 31 | K | 92.8 | Very high | 75.5 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.6 | 177.5 | -83.2 | -158.8 | 160.9 | -167.6 | 0 | 111.6 | E29 A54 K55 D222 R500 | E29-K31 PolarHBondContact O-N 3.19Å; K31-A54 HydrophobicContact CB-CB 4.21Å; K31-A54 CarbonylContact O-C 3.54Å; K31-A54 VanDerWaalsContact O-CA 3.28Å; K31-A54 WeakPolarHBondContact O-CA 3.38Å; K31-A54 WeakPolarHBondContact O-CB 3.41Å; K31-K55 PolarHBondContact O-N 3.33Å; K31-D222 VanDerWaalsContact CA-OD2 3.25Å; K31-D222 WeakPolarHBondContact CA-OD2 3.34Å; K31-D222 HydrophobicContact CB-CB 4.4Å; K31-D222 HydrophobicContact CD-CB 4.03Å; K31-D222 HydrophobicContact CG-CB 4.15Å; K31-R500 WeakPolarHBondContact CE-O 3.35Å; K31-R500 PolarHBondContact NZ-O 2.97Å |
| 32 | H | 97.1 | Very high | 78.2 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.4 | 170.3 | -174.6 | -163.6 | 0 | 0 | 0 | 110.5 | K55 T57 S220 D222 | H32-K55 WeakPolarHBondContact CA-O 3.38Å; H32-T57 PolarHBondContact NE2-OG1 3.33Å; H32-S220 PolarHBondContact CE1-O 3.18Å; H32-S220 PolarHBondContact ND1-O 3.2Å; H32-D222 PolarHBondContact N-OD2 3.48Å; H32-D222 PolarHBondContact O-N 3.24Å |
| 33 | V | 98.7 | Very high | 81 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | V35 A49 A54 K55 V56 T57 A223 V225 A498 | V33-V35 HydrophobicContact CG1-CG2 4.15Å; V33-A49 HydrophobicContact CB-CB 4.43Å; V33-A49 HydrophobicContact CG2-CB 4.39Å; V33-A54 HydrophobicContact CG2-CB 3.83Å; V33-K55 PolarHBondContact N-O 3.45Å; V33-V56 VanDerWaalsContact O-CA 3.31Å; V33-V56 WeakPolarHBondContact O-CA 3.1Å; V33-T57 PolarHBondContact O-N 2.94Å; V33-A223 WeakPolarHBondContact CA-O 3.49Å; V33-V225 HydrophobicContact CG1-CG2 4.02Å; V33-A498 HydrophobicContact CG1-CB 3.81Å; V33-A498 HydrophobicContact CG2-CB 3.93Å |
| 34 | V | 98.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.5 | 169.2 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | I36 T57 V59 V206 I219 A221 A223 V224 V225 | V34-I36 HydrophobicContact CG1-CG1 4.12Å; V34-T57 WeakPolarHBondContact CA-O 3.31Å; V34-V59 HydrophobicContact CG1-CG2 4.11Å; V34-V206 HydrophobicContact CB-CG1 4.41Å; V34-V206 HydrophobicContact CG1-CG1 3.66Å; V34-I219 HydrophobicContact CG2-CB 4.36Å; V34-I219 HydrophobicContact CG2-CG2 3.59Å; V34-A221 HydrophobicContact CB-CB 4.14Å; V34-A221 HydrophobicContact CG2-CB 3.6Å; V34-A223 PolarHBondContact N-O 2.89Å; V34-V224 HydrophobicContact CB-CG2 4.42Å; V34-V224 CarbonylContact O-C 3.57Å; V34-V224 VanDerWaalsContact O-CA 3.3Å; V34-V224 WeakPolarHBondContact O-CA 3.47Å; V34-V225 PolarHBondContact O-N 2.98Å |
| 35 | V | 99 | Very high | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.3 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | V33 G42 A45 V56 T57 L58 V59 V225 A227 | V33-V35 HydrophobicContact CG1-CG2 4.15Å; V35-G42 VanDerWaalsContact CG1-CA 3.46Å; V35-A45 HydrophobicContact CG1-CB 4.4Å; V35-A45 HydrophobicContact CG2-CB 4.35Å; V35-V56 HydrophobicContact CG2-CG1 3.95Å; V35-T57 PolarHBondContact N-O 2.95Å; V35-L58 CarbonylContact O-C 3.54Å; V35-L58 WeakPolarHBondContact O-CA 3.23Å; V35-V59 PolarHBondContact O-N 3.43Å; V35-V225 HydrophobicContact CG1-CB 4.48Å; V35-V225 HydrophobicContact CG2-CB 4.25Å; V35-V225 HydrophobicContact CG2-CG2 4.48Å; V35-A227 HydrophobicContact CG1-CB 4.46Å |
| 36 | I | 98.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.9 | -176.7 | -51.5 | 174.1 | 0 | 0 | 0 | 109.5 | V34 A192 F195 V206 V224 V225 L226 A227 T228 M266 | V34-I36 HydrophobicContact CG1-CG1 4.12Å; I36-A192 HydrophobicContact CD1-CB 3.96Å; I36-A192 HydrophobicContact CG1-CB 4.41Å; I36-A192 HydrophobicContact CG2-CB 3.53Å; I36-F195 HydrophobicContact CD1-CE1 4.4Å; I36-V206 HydrophobicContact CD1-CB 4.27Å; I36-V206 HydrophobicContact CD1-CG2 3.73Å; I36-V224 HydrophobicContact CD1-CG1 3.58Å; I36-V224 HydrophobicContact CG1-CG1 4.06Å; I36-V225 PolarHBondContact N-O 3.2Å; I36-L226 HydrophobicContact CB-CD2 4.37Å; I36-L226 HydrophobicContact CD1-CD2 4.01Å; I36-A227 CarbonylContact O-C 3.23Å; I36-A227 VanDerWaalsContact O-CA 3.28Å; I36-A227 WeakPolarHBondContact O-CA 3.35Å; I36-A227 PolarHBondContact O-N 3.25Å; I36-T228 HydrophobicContact CB-CG2 4.33Å; I36-T228 HydrophobicContact CG2-CG2 3.74Å; I36-T228 PolarHBondContact O-N 2.98Å; I36-M266 HydrophobicContact CD1-CE 4.41Å |
| 37 | G | 98.9 | Very high | 92 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | trans | 109.5 | 122.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G39 G42 V59 | G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.25Å; G37-G42 WeakPolarHBondContact O-CA 3.48Å; G37-V59 PolarHBondContact N-O 3.4Å | ||
| 38 | G | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -91.7 | 22 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E60 V65 G66 | G38-E60 WeakPolarHBondContact CA-OE2 3.44Å; G38-E60 PolarHBondContact N-OE2 3.02Å; G38-V65 WeakPolarHBondContact O-CB 3.26Å; G38-G66 WeakPolarHBondContact O-CA 3.39Å; G38-G66 PolarHBondContact O-N 3.48Å | ||
| 39 | G | 98.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -72.2 | -175 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G37 A41 G42 L43 | G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.25Å; G39-A41 VanDerWaalsContact C-N 3.27Å; G39-A41 PolarHBondContact O-N 2.93Å; G39-G42 PolarHBondContact O-N 3.41Å; G39-L43 WeakPolarHBondContact O-CG 3.5Å; G39-L43 PolarHBondContact O-N 3.27Å |
| 40 | L | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.5 | -35.7 | -178.1 | -177.9 | 54.4 | 0 | 0 | 0 | 112.6 | S44 S69 I165 I166 M169 L484 C487 V488 | L40-S44 VanDerWaalsContact O-CB 3.28Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.44Å; L40-S44 PolarHBondContact O-OG 3.25Å; L40-S69 WeakPolarHBondContact CB-OG 3.4Å; L40-S69 PolarHBondContact N-OG 3.13Å; L40-S69 VanDerWaalsContact N-OG 3.11Å; L40-I165 HydrophobicContact CD1-CG2 3.5Å; L40-I165 HydrophobicContact CD2-CG2 3.96Å; L40-I165 HydrophobicContact CG-CG2 4.38Å; L40-I166 HydrophobicContact CB-CD1 3.9Å; L40-I166 HydrophobicContact CD1-CD1 4.41Å; L40-M169 HydrophobicContact CD1-CG 4.27Å; L40-L484 HydrophobicContact CD2-CB 4.02Å; L40-L484 HydrophobicContact CD2-CD2 3.76Å; L40-L484 HydrophobicContact CD2-CG 4.42Å; L40-C487 HydrophobicContact CB-CB 3.73Å; L40-C487 HydrophobicContact CD2-CB 3.98Å; L40-C487 HydrophobicContact CG-CB 3.69Å; L40-V488 HydrophobicContact CD1-CG2 4.19Å; L40-V488 HydrophobicContact CD2-CG2 3.81Å; L40-V488 HydrophobicContact CG-CG2 4.02Å |
| 41 | A | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.033 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G39 S44 A45 A227 A466 C487 | G39-A41 VanDerWaalsContact C-N 3.27Å; G39-A41 PolarHBondContact O-N 2.93Å; A41-S44 PolarHBondContact O-N 3.09Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.83Å; A41-A227 HydrophobicContact CB-CB 3.98Å; A41-A466 HydrophobicContact CB-CB 4.32Å; A41-A466 WeakPolarHBondContact CB-O 3.33Å; A41-C487 WeakPolarHBondContact CA-O 3.45Å; A41-C487 HydrophobicContact CB-CB 4Å |
| 42 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V35 G37 G39 S44 A45 S46 | V35-G42 VanDerWaalsContact CG1-CA 3.46Å; G37-G42 WeakPolarHBondContact O-CA 3.48Å; G39-G42 PolarHBondContact O-N 3.41Å; G42-S44 VanDerWaalsContact C-N 3.34Å; G42-A45 PolarHBondContact O-N 3.42Å; G42-S46 WeakPolarHBondContact O-CB 3.42Å; G42-S46 PolarHBondContact O-N 3.4Å; G42-S46 PolarHBondContact O-OG 2.62Å |
| 43 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 173.3 | -64.5 | -179.6 | 0 | 0 | 0 | 111.9 | G39 S46 Y47 L58 I166 M169 F170 L173 | G39-L43 WeakPolarHBondContact O-CG 3.5Å; G39-L43 PolarHBondContact O-N 3.27Å; L43-S46 PolarHBondContact O-N 2.88Å; L43-Y47 WeakPolarHBondContact O-CB 3.43Å; L43-Y47 PolarHBondContact O-N 3.25Å; L43-L58 HydrophobicContact CD2-CD1 3.83Å; L43-I166 HydrophobicContact CD1-CD1 3.81Å; L43-I166 HydrophobicContact CD1-CG2 4.16Å; L43-M169 HydrophobicContact CB-CB 4.33Å; L43-M169 HydrophobicContact CB-CE 4.19Å; L43-M169 HydrophobicContact CD1-CB 4.13Å; L43-F170 HydrophobicContact CD1-CB 4.37Å; L43-F170 HydrophobicContact CD2-CD2 3.93Å; L43-L173 HydrophobicContact CB-CD1 4.23Å; L43-L173 HydrophobicContact CD2-CD1 3.84Å |
| 44 | S | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 176 | -57 | 0 | 0 | 0 | 0 | 111.8 | L40 A41 G42 Y47 A48 C487 | L40-S44 VanDerWaalsContact O-CB 3.28Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.44Å; L40-S44 PolarHBondContact O-OG 3.25Å; A41-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact C-N 3.34Å; S44-Y47 PolarHBondContact O-N 2.75Å; S44-A48 WeakPolarHBondContact O-CB 3.45Å; S44-A48 PolarHBondContact O-N 3.38Å; S44-C487 WeakPolarHBondContact CB-O 3.48Å |
| 45 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V35 A41 G42 Y47 A48 A49 V225 G491 G495 | V35-A45 HydrophobicContact CG1-CB 4.4Å; V35-A45 HydrophobicContact CG2-CB 4.35Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.83Å; G42-A45 PolarHBondContact O-N 3.42Å; A45-Y47 VanDerWaalsContact C-N 3.34Å; A45-Y47 PolarHBondContact O-N 2.74Å; A45-A48 PolarHBondContact O-N 2.79Å; A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 2.76Å; A45-V225 HydrophobicContact CB-CG1 3.99Å; A45-G491 WeakPolarHBondContact CA-O 3.4Å; A45-G491 VanDerWaalsContact CB-O 3.31Å; A45-G491 WeakPolarHBondContact CB-O 3.38Å; A45-G491 PolarHBondContact N-O 3.12Å; A45-G495 VanDerWaalsContact O-CA 3.31Å; A45-G495 WeakPolarHBondContact O-CA 3.25Å |
| 46 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | G42 L43 A48 A49 L50 | G42-S46 WeakPolarHBondContact O-CB 3.42Å; G42-S46 PolarHBondContact O-N 3.4Å; G42-S46 PolarHBondContact O-OG 2.62Å; L43-S46 PolarHBondContact O-N 2.88Å; S46-A48 PolarHBondContact O-N 3.22Å; S46-A49 PolarHBondContact O-N 2.94Å; S46-L50 WeakPolarHBondContact O-CB 3.49Å; S46-L50 WeakPolarHBondContact O-CD1 3.48Å; S46-L50 VanDerWaalsContact O-CG 3.24Å; S46-L50 WeakPolarHBondContact O-CG 3.28Å; S46-L50 PolarHBondContact O-N 3.27Å |
| 47 | Y | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 6% | 0.063 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 177.3 | 176.6 | -112.2 | 0 | 0 | 0 | 112.1 | L43 S44 A45 R51 R126 H172 L173 L176 | L43-Y47 WeakPolarHBondContact O-CB 3.43Å; L43-Y47 PolarHBondContact O-N 3.25Å; S44-Y47 PolarHBondContact O-N 2.75Å; A45-Y47 VanDerWaalsContact C-N 3.34Å; A45-Y47 PolarHBondContact O-N 2.74Å; Y47-R51 HydrophobicContact CE2-CG 4.34Å; Y47-R51 WeakPolarHBondContact O-CG 3.41Å; Y47-R51 PolarHBondContact O-N 3.39Å; Y47-R51 VanDerWaalsContact O-N 3.17Å; Y47-R51 PolarHBondContact OH-NH1 2.77Å; Y47-R51 VanDerWaalsContact OH-NH1 3.13Å; Y47-R126 HydrophobicContact CE1-CG 4.21Å; Y47-H172 AromaticContact CD2-CD2 3.97Å; Y47-H172 AromaticContact CE2-CD2 3.71Å; Y47-H172 AromaticContact CE2-NE2 3.5Å; Y47-L173 VanDerWaalsContact CA-CD2 3.49Å; Y47-L173 HydrophobicContact CD2-CD2 4.29Å; Y47-L176 HydrophobicContact CD2-CD2 4.38Å; Y47-L176 HydrophobicContact CE2-CD2 4.41Å |
| 48 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S44 A45 S46 L50 R51 G52 H492 L496 | S44-A48 WeakPolarHBondContact O-CB 3.45Å; S44-A48 PolarHBondContact O-N 3.38Å; A45-A48 PolarHBondContact O-N 2.79Å; S46-A48 PolarHBondContact O-N 3.22Å; A48-L50 PolarHBondContact O-N 2.79Å; A48-R51 WeakPolarHBondContact O-CB 3.4Å; A48-R51 PolarHBondContact O-N 2.81Å; A48-R51 VanDerWaalsContact O-N 3.13Å; A48-G52 PolarHBondContact O-N 2.8Å; A48-H492 WeakPolarHBondContact CB-O 3.49Å; A48-L496 HydrophobicContact CB-CD2 4.26Å; A48-L496 HydrophobicContact CB-CG 3.96Å |
| 49 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V33 A45 S46 R51 G52 N53 A54 V56 G495 | V33-A49 HydrophobicContact CB-CB 4.43Å; V33-A49 HydrophobicContact CG2-CB 4.39Å; A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 2.76Å; S46-A49 PolarHBondContact O-N 2.94Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3.21Å; A49-G52 CarbonylContact O-C 3.55Å; A49-G52 WeakPolarHBondContact O-CA 3.46Å; A49-G52 PolarHBondContact O-N 2.82Å; A49-N53 PolarHBondContact O-N 3.24Å; A49-A54 HydrophobicContact CB-CB 4.3Å; A49-A54 WeakPolarHBondContact O-CB 3.43Å; A49-A54 PolarHBondContact O-N 3.39Å; A49-V56 HydrophobicContact CB-CG2 3.65Å; A49-G495 WeakPolarHBondContact CA-O 3.38Å |
| 50 | L | 97.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 20 Ų | 20 | 12% | 0.115 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 173.5 | -72.4 | 168.5 | 0 | 0 | 0 | 111.9 | S46 A48 G52 N53 V56 L173 L176 T177 H183 F184 | S46-L50 WeakPolarHBondContact O-CB 3.49Å; S46-L50 WeakPolarHBondContact O-CD1 3.48Å; S46-L50 VanDerWaalsContact O-CG 3.24Å; S46-L50 WeakPolarHBondContact O-CG 3.28Å; S46-L50 PolarHBondContact O-N 3.27Å; A48-L50 PolarHBondContact O-N 2.79Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.18Å; L50-N53 PolarHBondContact O-N 2.89Å; L50-V56 HydrophobicContact CD2-CG2 4.19Å; L50-V56 HydrophobicContact CG-CG2 4Å; L50-L173 HydrophobicContact CD1-CD2 3.53Å; L50-L176 HydrophobicContact CB-CD2 4.2Å; L50-L176 HydrophobicContact CD1-CD2 4.32Å; L50-T177 HydrophobicContact CD1-CG2 3.87Å; L50-T177 HydrophobicContact CD2-CG2 3.82Å; L50-T177 HydrophobicContact CG-CG2 4.49Å; L50-H183 HydrophobicContact CD2-CB 4.16Å; L50-H183 WeakPolarHBondContact CD2-O 3.39Å; L50-F184 HydrophobicContact CD1-CB 4.13Å; L50-F184 HydrophobicContact CD1-CD2 4.47Å; L50-F184 HydrophobicContact CD1-CG 4.29Å; L50-F184 HydrophobicContact CD2-CB 4.28Å |
| 51 | R | 94.2 | Very high | 97.7 | Very high | 162 Ų | 162 | 21.1 Ų | 21.1 | 61% | 0.611 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -67.7 | -26.1 | 174.6 | -74.1 | -166.3 | 65.8 | 153.2 | -0.1 | 113.4 | Y47 A48 A49 N53 | Y47-R51 HydrophobicContact CE2-CG 4.34Å; Y47-R51 WeakPolarHBondContact O-CG 3.41Å; Y47-R51 PolarHBondContact O-N 3.39Å; Y47-R51 VanDerWaalsContact O-N 3.17Å; Y47-R51 PolarHBondContact OH-NH1 2.77Å; Y47-R51 VanDerWaalsContact OH-NH1 3.13Å; A48-R51 WeakPolarHBondContact O-CB 3.4Å; A48-R51 PolarHBondContact O-N 2.81Å; A48-R51 VanDerWaalsContact O-N 3.13Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3.21Å; R51-N53 PolarHBondContact O-N 3.48Å |
| 52 | G | 92.9 | Very high | 97.6 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 10.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A48 A49 L50 A54 S499 | A48-G52 PolarHBondContact O-N 2.8Å; A49-G52 CarbonylContact O-C 3.55Å; A49-G52 WeakPolarHBondContact O-CA 3.46Å; A49-G52 PolarHBondContact O-N 2.82Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.18Å; G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 2.96Å; G52-S499 WeakPolarHBondContact CA-OG 3.28Å |
| 53 | N | 92.2 | Very high | 97.6 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 31.7 | -177.9 | -166.6 | 44.9 | 0 | 0 | 0 | 113.8 | Q30 A49 L50 R51 | Q30-N53 WeakPolarHBondContact CG-O 3.44Å; A49-N53 PolarHBondContact O-N 3.24Å; L50-N53 PolarHBondContact O-N 2.89Å; R51-N53 PolarHBondContact O-N 3.48Å |
| 54 | A | 95.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | trans | -94 | 146.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K31 V33 A49 G52 | K31-A54 HydrophobicContact CB-CB 4.21Å; K31-A54 CarbonylContact O-C 3.54Å; K31-A54 VanDerWaalsContact O-CA 3.28Å; K31-A54 WeakPolarHBondContact O-CA 3.38Å; K31-A54 WeakPolarHBondContact O-CB 3.41Å; V33-A54 HydrophobicContact CG2-CB 3.83Å; A49-A54 HydrophobicContact CB-CB 4.3Å; A49-A54 WeakPolarHBondContact O-CB 3.43Å; A49-A54 PolarHBondContact O-N 3.39Å; G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 2.96Å | ||
| 55 | K | 97.5 | Very high | 97.5 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140.8 | 159.8 | 170.8 | 171 | 172.2 | 167.8 | 0 | 109 | K31 H32 V33 D182 | K31-K55 PolarHBondContact O-N 3.33Å; H32-K55 WeakPolarHBondContact CA-O 3.38Å; V33-K55 PolarHBondContact N-O 3.45Å; K55-D182 VanDerWaalsContact CD-O 3.29Å; K55-D182 WeakPolarHBondContact CD-O 3.44Å; K55-D182 WeakPolarHBondContact CE-O 3.48Å; K55-D182 WeakPolarHBondContact CG-O 3.33Å; K55-D182 PolarHBondContact NZ-O 2.92Å |
| 56 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.4 | -178.1 | 179.7 | 0 | 0 | 0 | 0 | 111 | V33 V35 A49 L50 H183 F184 E185 | V33-V56 VanDerWaalsContact O-CA 3.31Å; V33-V56 WeakPolarHBondContact O-CA 3.1Å; V35-V56 HydrophobicContact CG2-CG1 3.95Å; A49-V56 HydrophobicContact CB-CG2 3.65Å; L50-V56 HydrophobicContact CD2-CG2 4.19Å; L50-V56 HydrophobicContact CG-CG2 4Å; V56-H183 PolarHBondContact N-O 2.96Å; V56-F184 HydrophobicContact CB-CD2 4.1Å; V56-F184 HydrophobicContact CG1-CD2 4.04Å; V56-F184 HydrophobicContact CG1-CE2 4.27Å; V56-F184 WeakPolarHBondContact O-CA 3.29Å; V56-E185 PolarHBondContact O-N 2.94Å |
| 57 | T | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112.2 | 162.2 | -59 | 0 | 0 | 0 | 0 | 108.7 | H32 V33 V34 V35 V59 E185 R187 I219 | H32-T57 PolarHBondContact NE2-OG1 3.33Å; V33-T57 PolarHBondContact O-N 2.94Å; V34-T57 WeakPolarHBondContact CA-O 3.31Å; V35-T57 PolarHBondContact N-O 2.95Å; T57-V59 HydrophobicContact CG2-CG2 4.39Å; T57-E185 WeakPolarHBondContact CA-O 3.29Å; T57-E185 HydrophobicContact CG2-CB 4.42Å; T57-E185 PolarHBondContact OG1-OE2 3.31Å; T57-R187 HydrophobicContact CG2-CG 4.34Å; T57-I219 HydrophobicContact CG2-CD1 4.2Å |
| 58 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.9 | 174.5 | -173.3 | 153.3 | 0 | 0 | 0 | 109.7 | V35 L43 E60 V65 F184 E185 V186 R187 | V35-L58 CarbonylContact O-C 3.54Å; V35-L58 WeakPolarHBondContact O-CA 3.23Å; L43-L58 HydrophobicContact CD2-CD1 3.83Å; L58-E60 HydrophobicContact CD2-CB 3.98Å; L58-V65 HydrophobicContact CD2-CG1 4.18Å; L58-F184 HydrophobicContact CB-CE2 4.02Å; L58-F184 HydrophobicContact CD1-CE2 4.32Å; L58-F184 HydrophobicContact CD1-CZ 4.42Å; L58-E185 PolarHBondContact N-O 3.45Å; L58-V186 HydrophobicContact CB-CG2 4.37Å; L58-V186 HydrophobicContact CD2-CG1 4.07Å; L58-V186 CarbonylContact O-C 3.53Å; L58-V186 WeakPolarHBondContact O-CA 3.19Å; L58-R187 PolarHBondContact O-N 2.95Å |
| 59 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.8 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 109 | V34 V35 G37 T57 T190 V208 I219 | V34-V59 HydrophobicContact CG1-CG2 4.11Å; V35-V59 PolarHBondContact O-N 3.43Å; G37-V59 PolarHBondContact N-O 3.4Å; T57-V59 HydrophobicContact CG2-CG2 4.39Å; V59-T190 HydrophobicContact CG1-CG2 3.81Å; V59-T190 WeakPolarHBondContact CG1-O 3.25Å; V59-V208 HydrophobicContact CG1-CG1 4.09Å; V59-V208 HydrophobicContact CG2-CG1 4.26Å; V59-I219 HydrophobicContact CG2-CD1 4Å |
| 60 | E | 98.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | trans | -120.1 | 126 | 179.7 | 173.5 | 53.7 | -101 | 0 | 0 | 109.8 | G38 L58 E62 R187 T188 N189 T190 | G38-E60 WeakPolarHBondContact CA-OE2 3.44Å; G38-E60 PolarHBondContact N-OE2 3.02Å; L58-E60 HydrophobicContact CD2-CB 3.98Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 HydrophobicContact CG-CB 4.28Å; E60-E62 WeakPolarHBondContact OE1-CB 3.34Å; E60-E62 PolarHBondContact OE1-N 3Å; E60-R187 PolarHBondContact N-O 2.72Å; E60-T188 HydrophobicContact CB-CG2 4.38Å; E60-T188 HydrophobicContact CG-CG2 4.44Å; E60-T188 CarbonylContact O-C 3.54Å; E60-T188 VanDerWaalsContact O-C 3.23Å; E60-T188 VanDerWaalsContact O-CA 3.29Å; E60-T188 WeakPolarHBondContact O-CA 3.48Å; E60-N189 PolarHBondContact O-N 3.2Å; E60-T190 CarbonylContact C-O 3.47Å; E60-T190 PolarHBondContact O-N 3.47Å | ||
| 61 | G | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -71.5 | -30.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N189 T190 | G61-N189 WeakPolarHBondContact O-CA 3.26Å; G61-T190 WeakPolarHBondContact CA-O 3.27Å; G61-T190 PolarHBondContact N-O 2.97Å |
| 62 | E | 97.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -85.2 | 170.3 | 179.6 | -63.9 | -63.3 | 105.8 | 0 | 0 | 112.6 | E60 A64 T188 N189 F258 | E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 HydrophobicContact CG-CB 4.28Å; E60-E62 WeakPolarHBondContact OE1-CB 3.34Å; E60-E62 PolarHBondContact OE1-N 3Å; E62-A64 PolarHBondContact O-N 2.87Å; E62-T188 WeakPolarHBondContact O-CB 3.3Å; E62-N189 PolarHBondContact O-N 3.13Å; E62-F258 HydrophobicContact CG-CB 3.94Å; E62-F258 HydrophobicContact CG-CD1 3.61Å; E62-F258 HydrophobicContact CG-CE1 4.4Å; E62-F258 HydrophobicContact CG-CG 3.95Å |
| 63 | K | 97.5 | Very high | 97.1 | Very high | 173 Ų | 173 | 37.6 Ų | 37.6 | 75% | 0.752 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -65.8 | -17.3 | 177.4 | 67.8 | -178.1 | -180 | -177.3 | 0 | 114.7 | N189 | K63-N189 WeakPolarHBondContact CA-OD1 3.47Š|
| 64 | A | 97.6 | Very high | 97 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -154.3 | 155 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | E62 | E62-A64 PolarHBondContact O-N 2.87Š|
| 65 | V | 98.6 | Very high | 97 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.7 | 159.8 | 174.5 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | G38 L58 I166 F170 V186 | G38-V65 WeakPolarHBondContact O-CB 3.26Å; L58-V65 HydrophobicContact CD2-CG1 4.18Å; V65-I166 HydrophobicContact CG2-CG2 4.31Å; V65-F170 HydrophobicContact CG1-CD2 4.26Å; V65-F170 HydrophobicContact CG1-CE2 3.98Å; V65-F170 HydrophobicContact CG2-CB 4.38Å; V65-F170 HydrophobicContact CG2-CD1 4.45Å; V65-F170 HydrophobicContact CG2-CD2 3.77Å; V65-F170 HydrophobicContact CG2-CE2 4.07Å; V65-F170 HydrophobicContact CG2-CG 3.95Å; V65-V186 HydrophobicContact CG1-CG1 4.21Å |
| 66 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 131.2 | -35 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | G38 S69 A70 | G38-G66 WeakPolarHBondContact O-CA 3.39Å; G38-G66 PolarHBondContact O-N 3.48Å; G66-S69 WeakPolarHBondContact O-CB 3.3Å; G66-S69 PolarHBondContact O-N 3.32Å; G66-A70 PolarHBondContact O-N 2.77Å | ||
| 67 | G | 97.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 21% | 0.206 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -143.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S69 | G67-S69 VanDerWaalsContact C-N 3.27Å; G67-S69 PolarHBondContact O-N 3.32Å |
| 68 | N | 98.1 | Very high | 97 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.3 | 174.9 | -72.2 | -39.3 | 0 | 0 | 0 | 112.8 | A70 K71 A72 N255 G256 | N68-A70 VanDerWaalsContact C-N 3.26Å; N68-A70 PolarHBondContact O-N 3.3Å; N68-K71 WeakPolarHBondContact O-CA 3.31Å; N68-K71 WeakPolarHBondContact O-CB 3.49Å; N68-K71 PolarHBondContact O-N 2.78Å; N68-A72 PolarHBondContact O-N 2.82Å; N68-N255 PolarHBondContact ND2-OD1 2.71Å; N68-N255 WeakPolarHBondContact OD1-CA 3.35Å; N68-G256 PolarHBondContact OD1-N 3.2Å |
| 69 | S | 98.6 | Very high | 97 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -59.5 | -38.4 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | L40 G66 G67 K71 A72 G162 | L40-S69 WeakPolarHBondContact CB-OG 3.4Å; L40-S69 PolarHBondContact N-OG 3.13Å; L40-S69 VanDerWaalsContact N-OG 3.11Å; G66-S69 WeakPolarHBondContact O-CB 3.3Å; G66-S69 PolarHBondContact O-N 3.32Å; G67-S69 VanDerWaalsContact C-N 3.27Å; G67-S69 PolarHBondContact O-N 3.32Å; S69-K71 PolarHBondContact O-N 3.48Å; S69-A72 WeakPolarHBondContact O-CB 3.49Å; S69-A72 PolarHBondContact O-N 2.8Å; S69-A72 VanDerWaalsContact O-N 3.15Å; S69-G162 CarbonylContact O-C 3.46Å; S69-G162 WeakPolarHBondContact O-CA 3.37Å |
| 70 | A | 97.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 38 Ų | 38 | 22% | 0.223 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -63.8 | -24 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G66 N68 F163 I166 | G66-A70 PolarHBondContact O-N 2.77Å; N68-A70 VanDerWaalsContact C-N 3.26Å; N68-A70 PolarHBondContact O-N 3.3Å; A70-F163 WeakPolarHBondContact O-CB 3.35Å; A70-F163 PolarHBondContact O-N 3.31Å; A70-I166 HydrophobicContact CB-CG1 4.14Å |
| 71 | K | 95.5 | Very high | 96.9 | Very high | 99 Ų | 99 | 37.3 Ų | 37.3 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -87.6 | -6.2 | 178.3 | -57.9 | -178 | 178.7 | -175.6 | 0 | 113.3 | N68 S69 T73 | N68-K71 WeakPolarHBondContact O-CA 3.31Å; N68-K71 WeakPolarHBondContact O-CB 3.49Å; N68-K71 PolarHBondContact O-N 2.78Å; S69-K71 PolarHBondContact O-N 3.48Å; K71-T73 PolarHBondContact O-N 2.85Å |
| 72 | A | 94.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | trans | -69.6 | 130.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N68 S69 G162 L484 | N68-A72 PolarHBondContact O-N 2.82Å; S69-A72 WeakPolarHBondContact O-CB 3.49Å; S69-A72 PolarHBondContact O-N 2.8Å; S69-A72 VanDerWaalsContact O-N 3.15Å; A72-G162 WeakPolarHBondContact O-CA 3.32Å; A72-G162 PolarHBondContact O-N 3.36Å; A72-L484 HydrophobicContact CB-CD1 3.87Å; A72-L484 HydrophobicContact CB-CD2 3.84Å; A72-L484 HydrophobicContact CB-CG 4.08Å | ||
| 73 | T | 90.7 | Very high | 96.9 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 20% | 0.202 | 19% | 0.192 | C | C | . | . | trans | -116.8 | -29.5 | -173.7 | 54 | 0 | 0 | 0 | 0 | 114.3 | K71 | K71-T73 PolarHBondContact O-N 2.85Š| ||
| 74 | S | 90.5 | Very high | 97 | Very high | 8 Ų | 8 | 27 Ų | 27 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -72.4 | -34.4 | -172 | -58 | 0 | 0 | 0 | 0 | 114.5 | T148 R150 E303 | S74-T148 WeakPolarHBondContact O-CG2 3.15Å; S74-R150 VanDerWaalsContact O-CD 3.3Å; S74-R150 WeakPolarHBondContact O-CD 3.18Å; S74-R150 WeakPolarHBondContact O-CG 3.39Å; S74-E303 PolarHBondContact OG-N 3.05Å |
| 75 | G | 95 | Very high | 97 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | 127.7 | -175 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | H149 | G75-H149 CarbonylContact C-O 3.58Å; G75-H149 WeakPolarHBondContact CA-O 3.48Å | ||
| 76 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.6 | 179.4 | -177.6 | 170.7 | 0 | 0 | 0 | 109.7 | V124 L127 L134 H149 L484 L485 V488 | I76-V124 HydrophobicContact CG2-CG2 4.41Å; I76-L127 HydrophobicContact CD1-CD1 3.77Å; I76-L134 HydrophobicContact CG2-CD1 3.69Å; I76-L134 HydrophobicContact CG2-CD2 3.89Å; I76-L134 HydrophobicContact CG2-CG 4.44Å; I76-H149 HydrophobicContact CG2-CB 4.18Å; I76-H149 PolarHBondContact N-O 2.95Å; I76-H149 WeakPolarHBondContact O-CB 3.29Å; I76-H149 PolarHBondContact O-N 3.32Å; I76-H149 PolarHBondContact O-ND1 2.87Å; I76-L484 HydrophobicContact CB-CB 4.01Å; I76-L484 HydrophobicContact CB-CD1 4.34Å; I76-L484 HydrophobicContact CD1-CB 4.17Å; I76-L484 HydrophobicContact CG1-CB 4Å; I76-L485 HydrophobicContact CG1-CB 4.03Å; I76-V488 HydrophobicContact CD1-CG2 3.93Å |
| 77 | N | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 145.9 | 178.5 | -64.3 | -23.8 | 0 | 0 | 0 | 111.8 | F96 H143 R147 T148 G480 G481 N482 L485 | N77-F96 HydrophobicContact CB-CE1 4.32Å; N77-F96 HydrophobicContact CB-CE2 4.33Å; N77-F96 HydrophobicContact CB-CZ 3.65Å; N77-H143 PolarHBondContact ND2-CE1 3.22Å; N77-H143 VanDerWaalsContact ND2-CE1 3.34Å; N77-R147 VanDerWaalsContact CA-O 3.3Å; N77-R147 WeakPolarHBondContact CA-O 3.42Å; N77-R147 HydrophobicContact CB-CG 4.39Å; N77-T148 WeakPolarHBondContact OD1-CA 3.48Å; N77-T148 WeakPolarHBondContact OD1-CB 3.47Å; N77-T148 PolarHBondContact OD1-OG1 3.02Å; N77-G480 PolarHBondContact ND2-O 3.13Å; N77-G480 PolarHBondContact OD1-O 3.43Å; N77-G481 VanDerWaalsContact ND2-C 3.35Å; N77-N482 PolarHBondContact ND2-N 2.85Å; N77-N482 PolarHBondContact ND2-OD1 3.34Å; N77-L485 HydrophobicContact CB-CD2 4.1Å |
| 78 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -152.3 | 144.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q84 R147 H149 | G78-Q84 PolarHBondContact O-OE1 2.83Å; G78-Q84 VanDerWaalsContact O-OE1 3.08Å; G78-R147 PolarHBondContact N-O 3.43Å; G78-R147 WeakPolarHBondContact O-CB 3.35Å; G78-H149 PolarHBondContact O-CE1 3.02Å | ||
| 79 | C | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -114.6 | 139.2 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | T81 Q84 D92 T93 F96 S120 G121 | C79-T81 PolarHBondContact O-N 3.41Å; C79-Q84 VanDerWaalsContact C-OE1 3.26Å; C79-Q84 VanDerWaalsContact CA-OE1 3.24Å; C79-D92 VanDerWaalsContact SG-CA 3.53Å; C79-D92 PolarHBondContact SG-O 3.36Å; C79-D92 VanDerWaalsContact SG-O 3.4Å; C79-T93 HydrophobicContact CB-CG2 4.47Å; C79-F96 HydrophobicContact CB-CD1 3.9Å; C79-S120 WeakPolarHBondContact CB-OG 3.35Å; C79-S120 PolarHBondContact N-OG 2.82Å; C79-G121 VanDerWaalsContact O-CA 3.26Å; C79-G121 WeakPolarHBondContact O-CA 3.48Å |
| 80 | R | 97.1 | Very high | 96.6 | Very high | 159 Ų | 159 | 46.4 Ų | 46.4 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 53.9 | 38.2 | -177.4 | -62.7 | -178.9 | 172.1 | 178 | -3.2 | 113.6 | D91 | R80-D91 WeakPolarHBondContact CG-O 3.4Å; R80-D91 PolarHBondContact NE-O 2.99Å |
| 81 | T | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | trans | -76.6 | 160.6 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | C79 T83 Q84 L85 V124 H149 | C79-T81 PolarHBondContact O-N 3.41Å; T81-T83 PolarHBondContact O-N 2.92Å; T81-T83 PolarHBondContact OG1-N 3.23Å; T81-Q84 PolarHBondContact O-N 2.92Å; T81-Q84 PolarHBondContact OG1-N 2.93Å; T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 3.13Å; T81-L85 VanDerWaalsContact O-N 3.08Å; T81-V124 HydrophobicContact CG2-CB 3.83Å; T81-V124 HydrophobicContact CG2-CG1 3.89Å; T81-V124 HydrophobicContact CG2-CG2 4.21Å; T81-H149 WeakPolarHBondContact CB-NE2 3.34Å; T81-H149 WeakPolarHBondContact CG2-NE2 3.44Å; T81-H149 PolarHBondContact OG1-CE1 2.95Å; T81-H149 PolarHBondContact OG1-NE2 3.49Å | ||
| 82 | S | 97.9 | Very high | 96.7 | Very high | 51 Ų | 51 | 43 Ų | 43 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.3 | -35.8 | 169.3 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | A86 E125 K128 | S82-A86 WeakPolarHBondContact O-CB 3.32Å; S82-A86 PolarHBondContact O-N 3.1Å; S82-E125 WeakPolarHBondContact CB-OE1 3.32Å; S82-E125 PolarHBondContact N-OE1 3.25Å; S82-E125 VanDerWaalsContact OG-CD 3.27Å; S82-E125 PolarHBondContact OG-OE1 3Å; S82-E125 PolarHBondContact OG-OE2 2.98Å; S82-E125 VanDerWaalsContact OG-OE2 3.1Å; S82-K128 PolarHBondContact OG-NZ 3.36Å |
| 83 | T | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -45.9 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 112 | T81 L85 A86 H87 K128 L134 D135 L137 | T81-T83 PolarHBondContact O-N 2.92Å; T81-T83 PolarHBondContact OG1-N 3.23Å; T83-L85 VanDerWaalsContact C-N 3.35Å; T83-L85 PolarHBondContact O-N 3.43Å; T83-A86 PolarHBondContact O-N 3.34Å; T83-H87 PolarHBondContact O-N 2.64Å; T83-H87 VanDerWaalsContact O-N 3.13Å; T83-H87 PolarHBondContact O-ND1 3.41Å; T83-K128 PolarHBondContact OG1-NZ 3.47Å; T83-L134 WeakPolarHBondContact CG2-O 3.44Å; T83-L134 PolarHBondContact OG1-O 2.97Å; T83-D135 VanDerWaalsContact CG2-C 3.48Å; T83-D135 VanDerWaalsContact CG2-O 3.25Å; T83-D135 WeakPolarHBondContact CG2-O 3.43Å; T83-L137 HydrophobicContact CG2-CD1 4.08Å; T83-L137 HydrophobicContact CG2-CD2 4.45Å; T83-L137 HydrophobicContact CG2-CG 3.94Å |
| 84 | Q | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.1 | -78.3 | 179.9 | -54.8 | 0 | 0 | 111.5 | G78 C79 T81 A86 H87 G88 I89 D91 L137 K146 | G78-Q84 PolarHBondContact O-OE1 2.83Å; G78-Q84 VanDerWaalsContact O-OE1 3.08Å; C79-Q84 VanDerWaalsContact C-OE1 3.26Å; C79-Q84 VanDerWaalsContact CA-OE1 3.24Å; T81-Q84 PolarHBondContact O-N 2.92Å; T81-Q84 PolarHBondContact OG1-N 2.93Å; Q84-A86 PolarHBondContact O-N 3.26Å; Q84-H87 CarbonylContact O-C 3.31Å; Q84-H87 PolarHBondContact O-N 2.86Å; Q84-H87 VanDerWaalsContact O-N 3.11Å; Q84-G88 PolarHBondContact O-N 2.97Å; Q84-G88 VanDerWaalsContact O-N 3.16Å; Q84-I89 HydrophobicContact CB-CB 4.12Å; Q84-I89 HydrophobicContact CB-CG2 4.48Å; Q84-I89 HydrophobicContact CG-CB 4.37Å; Q84-I89 HydrophobicContact CG-CG2 4.33Å; Q84-I89 PolarHBondContact O-N 3.42Å; Q84-D91 PolarHBondContact NE2-OD2 2.96Å; Q84-L137 HydrophobicContact CB-CD1 4.45Å; Q84-L137 HydrophobicContact CG-CD1 3.86Å; Q84-L137 HydrophobicContact CG-CD2 4.2Å; Q84-K146 PolarHBondContact NE2-O 2.79Å |
| 85 | L | 97.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 48.7 Ų | 48.7 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.1 | -66.9 | 171.7 | 0 | 0 | 0 | 111.9 | T81 T83 H87 G88 | T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 3.13Å; T81-L85 VanDerWaalsContact O-N 3.08Å; T83-L85 VanDerWaalsContact C-N 3.35Å; T83-L85 PolarHBondContact O-N 3.43Å; L85-H87 PolarHBondContact O-N 3.19Å; L85-G88 PolarHBondContact O-N 3.11Å |
| 86 | A | 97.7 | Very high | 97.9 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 70% | 0.702 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63 | -26.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S82 T83 Q84 | S82-A86 WeakPolarHBondContact O-CB 3.32Å; S82-A86 PolarHBondContact O-N 3.1Å; T83-A86 PolarHBondContact O-N 3.34Å; Q84-A86 PolarHBondContact O-N 3.26Å |
| 87 | H | 97.2 | Very high | 97.9 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 3.2 | 175.7 | -72.1 | 74.4 | 0 | 0 | 0 | 113.6 | T83 Q84 L85 I89 D135 L137 | T83-H87 PolarHBondContact O-N 2.64Å; T83-H87 VanDerWaalsContact O-N 3.13Å; T83-H87 PolarHBondContact O-ND1 3.41Å; Q84-H87 CarbonylContact O-C 3.31Å; Q84-H87 PolarHBondContact O-N 2.86Å; Q84-H87 VanDerWaalsContact O-N 3.11Å; L85-H87 PolarHBondContact O-N 3.19Å; H87-I89 HydrophobicContact CB-CG1 3.86Å; H87-I89 PolarHBondContact O-N 3.09Å; H87-D135 PolarHBondContact CE1-O 2.86Å; H87-L137 HydrophobicContact CB-CD1 3.98Å |
| 88 | G | 97.5 | Very high | 97.9 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 28 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q84 L85 | Q84-G88 PolarHBondContact O-N 2.97Å; Q84-G88 VanDerWaalsContact O-N 3.16Å; L85-G88 PolarHBondContact O-N 3.11Å |
| 89 | I | 96.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -89.2 | 118.8 | 178.8 | -59.8 | -64.6 | 0 | 0 | 0 | 109.2 | Q84 H87 D91 L137 I145 K146 | Q84-I89 HydrophobicContact CB-CB 4.12Å; Q84-I89 HydrophobicContact CB-CG2 4.48Å; Q84-I89 HydrophobicContact CG-CB 4.37Å; Q84-I89 HydrophobicContact CG-CG2 4.33Å; Q84-I89 PolarHBondContact O-N 3.42Å; H87-I89 HydrophobicContact CB-CG1 3.86Å; H87-I89 PolarHBondContact O-N 3.09Å; I89-D91 HydrophobicContact CG2-CB 4.48Å; I89-L137 HydrophobicContact CG1-CD1 4.2Å; I89-I145 HydrophobicContact CG2-CG2 3.46Å; I89-I145 VanDerWaalsContact CG2-CG2 3.46Å; I89-K146 HydrophobicContact CD1-CB 4.36Å; I89-K146 HydrophobicContact CD1-CD 4.34Å | ||
| 90 | D | 94.2 | Very high | 97.9 | Very high | 144 Ų | 144 | 53 Ų | 53 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | trans | -89.4 | 110 | 171.1 | -166.3 | 16.5 | 0 | 0 | 0 | 109.3 | ||||
| 91 | D | 97.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -133.5 | 151.1 | 177.8 | -162.6 | 21 | 0 | 0 | 0 | 108.4 | R80 Q84 I89 I145 R147 | R80-D91 WeakPolarHBondContact CG-O 3.4Å; R80-D91 PolarHBondContact NE-O 2.99Å; Q84-D91 PolarHBondContact NE2-OD2 2.96Å; I89-D91 HydrophobicContact CG2-CB 4.48Å; D91-I145 HydrophobicContact CB-CG2 3.86Å; D91-R147 IonicContact OD1-CZ 2.81Å; D91-R147 IonicContact OD1-NE 3.23Å; D91-R147 IonicContact OD1-NH2 2.74Å; D91-R147 PolarHBondContact OD1-NH2 2.89Å; D91-R147 WeakPolarHBondContact OD2-CB 3.48Å; D91-R147 IonicContact OD2-CZ 3.77Å; D91-R147 IonicContact OD2-NE 2.82Å; D91-R147 PolarHBondContact OD2-NE 3.39Å; D91-R147 IonicContact OD2-NH2 3.89Å | ||
| 92 | D | 98 | Very high | 97.9 | Very high | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | trans | -139.1 | 160.3 | 176.7 | 63.7 | 52.9 | 0 | 0 | 0 | 111.7 | C79 E94 T95 F96 | C79-D92 VanDerWaalsContact SG-CA 3.53Å; C79-D92 PolarHBondContact SG-O 3.36Å; C79-D92 VanDerWaalsContact SG-O 3.4Å; D92-E94 PolarHBondContact O-N 2.97Å; D92-E94 PolarHBondContact OD1-N 3Å; D92-T95 PolarHBondContact O-N 3.35Å; D92-T95 WeakPolarHBondContact OD1-CB 3.23Å; D92-T95 PolarHBondContact OD1-N 3.08Å; D92-T95 PolarHBondContact OD1-OG1 3.16Å; D92-T95 PolarHBondContact OD2-OG1 3.46Å; D92-F96 PolarHBondContact O-N 2.8Å; D92-F96 VanDerWaalsContact O-N 3.07Å | ||
| 93 | T | 98.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.5 | -25 | -175 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | C79 F97 H118 | C79-T93 HydrophobicContact CB-CG2 4.47Å; T93-F97 WeakPolarHBondContact O-CB 3.3Å; T93-F97 PolarHBondContact O-N 3Å; T93-H118 PolarHBondContact OG1-NE2 3.26Å |
| 94 | E | 98.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 50.7 Ų | 50.7 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.2 | -47.3 | 177.3 | -175.8 | 58.5 | -150.5 | 0 | 0 | 111 | D92 F96 F97 I98 | D92-E94 PolarHBondContact O-N 2.97Å; D92-E94 PolarHBondContact OD1-N 3Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 3.33Å; E94-F97 WeakPolarHBondContact O-CB 3.35Å; E94-F97 PolarHBondContact O-N 3Å; E94-I98 HydrophobicContact CG-CD1 4.06Å; E94-I98 WeakPolarHBondContact O-CB 3.39Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.48Å; E94-I98 PolarHBondContact O-N 3.03Å |
| 95 | T | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.5 | -60 | 0 | 0 | 0 | 0 | 110.3 | D92 I98 D99 S144 I145 | D92-T95 PolarHBondContact O-N 3.35Å; D92-T95 WeakPolarHBondContact OD1-CB 3.23Å; D92-T95 PolarHBondContact OD1-N 3.08Å; D92-T95 PolarHBondContact OD1-OG1 3.16Å; D92-T95 PolarHBondContact OD2-OG1 3.46Å; T95-I98 PolarHBondContact O-N 2.92Å; T95-D99 PolarHBondContact O-N 3.26Å; T95-S144 WeakPolarHBondContact CG2-OG 3.47Å; T95-I145 HydrophobicContact CG2-CG1 4.09Å |
| 96 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 175.9 | -172.6 | -162.1 | 0 | 0 | 0 | 112.7 | N77 C79 D92 E94 D99 T100 V117 R147 L479 N482 L485 | N77-F96 HydrophobicContact CB-CE1 4.32Å; N77-F96 HydrophobicContact CB-CE2 4.33Å; N77-F96 HydrophobicContact CB-CZ 3.65Å; C79-F96 HydrophobicContact CB-CD1 3.9Å; D92-F96 PolarHBondContact O-N 2.8Å; D92-F96 VanDerWaalsContact O-N 3.07Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 3.33Å; F96-D99 PolarHBondContact O-N 3.32Å; F96-T100 WeakPolarHBondContact O-CB 3.5Å; F96-T100 PolarHBondContact O-N 3.41Å; F96-T100 PolarHBondContact O-OG1 3.36Å; F96-V117 HydrophobicContact CB-CB 4.43Å; F96-V117 HydrophobicContact CB-CG1 4.23Å; F96-V117 HydrophobicContact CD1-CB 3.71Å; F96-V117 HydrophobicContact CD1-CG1 3.6Å; F96-V117 HydrophobicContact CD2-CG1 4.21Å; F96-V117 HydrophobicContact CE1-CB 4.21Å; F96-V117 HydrophobicContact CE1-CG1 3.92Å; F96-V117 HydrophobicContact CE2-CG1 4.47Å; F96-V117 HydrophobicContact CG-CB 4.19Å; F96-V117 HydrophobicContact CG-CG1 3.75Å; F96-V117 HydrophobicContact CZ-CG1 4.33Å; F96-R147 VanDerWaalsContact CD2-CD 3.43Å; F96-L479 HydrophobicContact CD2-CD2 4.4Å; F96-L479 HydrophobicContact CE2-CD2 4.03Å; F96-N482 WeakPolarHBondContact CE2-OD1 3.34Å; F96-N482 VanDerWaalsContact CZ-OD1 3.25Å; F96-N482 WeakPolarHBondContact CZ-OD1 3.28Å; F96-L485 HydrophobicContact CE1-CD2 3.86Å; F96-L485 HydrophobicContact CZ-CD2 3.75Å |
| 97 | F | 98.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 173 | -177.3 | -91.5 | 0 | 0 | 0 | 110.4 | T93 E94 D99 T100 I101 R110 V113 V117 | T93-F97 WeakPolarHBondContact O-CB 3.3Å; T93-F97 PolarHBondContact O-N 3Å; E94-F97 WeakPolarHBondContact O-CB 3.35Å; E94-F97 PolarHBondContact O-N 3Å; F97-D99 PolarHBondContact O-N 3.5Å; F97-T100 PolarHBondContact O-N 3.24Å; F97-T100 VanDerWaalsContact O-N 3.09Å; F97-I101 HydrophobicContact CD1-CG1 3.82Å; F97-I101 HydrophobicContact CE1-CD1 4.17Å; F97-I101 HydrophobicContact CE1-CG1 3.46Å; F97-I101 VanDerWaalsContact CE1-CG1 3.46Å; F97-I101 HydrophobicContact CE2-CD1 4.38Å; F97-I101 HydrophobicContact CE2-CG1 4.32Å; F97-I101 HydrophobicContact CG-CG1 4.38Å; F97-I101 HydrophobicContact CZ-CD1 3.91Å; F97-I101 HydrophobicContact CZ-CG1 3.73Å; F97-I101 WeakPolarHBondContact O-CG1 3.18Å; F97-I101 PolarHBondContact O-N 3.27Å; F97-R110 WeakPolarHBondContact CE2-O 3.4Å; F97-R110 HydrophobicContact CZ-CB 4.09Å; F97-R110 HydrophobicContact CZ-CG 4.13Å; F97-V113 HydrophobicContact CD2-CB 4.04Å; F97-V113 HydrophobicContact CD2-CG1 3.53Å; F97-V113 HydrophobicContact CE2-CB 3.77Å; F97-V113 HydrophobicContact CE2-CG1 3.76Å; F97-V113 HydrophobicContact CG-CG1 4.26Å; F97-V117 HydrophobicContact CB-CG2 4.18Å; F97-V117 HydrophobicContact CD2-CG2 4.33Å |
| 98 | I | 98.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 179.6 | -70.9 | 165.8 | 0 | 0 | 0 | 111.3 | E94 T95 T100 I101 K102 | E94-I98 HydrophobicContact CG-CD1 4.06Å; E94-I98 WeakPolarHBondContact O-CB 3.39Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.48Å; E94-I98 PolarHBondContact O-N 3.03Å; T95-I98 PolarHBondContact O-N 2.92Å; I98-T100 VanDerWaalsContact C-N 3.28Å; I98-T100 PolarHBondContact O-N 2.91Å; I98-I101 PolarHBondContact O-N 3.02Å; I98-K102 HydrophobicContact CG2-CD 3.77Å; I98-K102 HydrophobicContact CG2-CG 4.3Å; I98-K102 VanDerWaalsContact O-CB 3.29Å; I98-K102 WeakPolarHBondContact O-CB 3.38Å; I98-K102 VanDerWaalsContact O-CG 3.25Å; I98-K102 WeakPolarHBondContact O-CG 3.42Å; I98-K102 PolarHBondContact O-N 3.2Å |
| 99 | D | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.9 | -76.2 | -7.9 | 0 | 0 | 0 | 111.6 | T95 F96 F97 A103 S144 R147 L479 | T95-D99 PolarHBondContact O-N 3.26Å; F96-D99 PolarHBondContact O-N 3.32Å; F97-D99 PolarHBondContact O-N 3.5Å; D99-A103 VanDerWaalsContact O-CB 3.3Å; D99-A103 WeakPolarHBondContact O-CB 3.49Å; D99-A103 PolarHBondContact O-N 3.21Å; D99-S144 VanDerWaalsContact CG-OG 3.28Å; D99-S144 PolarHBondContact OD1-OG 3.1Å; D99-S144 WeakPolarHBondContact OD2-CB 3.17Å; D99-S144 PolarHBondContact OD2-N 2.9Å; D99-S144 PolarHBondContact OD2-OG 2.69Å; D99-R147 IonicContact OD2-CZ 2.93Å; D99-R147 IonicContact OD2-NH1 3.25Å; D99-R147 PolarHBondContact OD2-NH1 2.68Å; D99-R147 IonicContact OD2-NH2 2.78Å; D99-R147 PolarHBondContact OD2-NH2 3.4Å; D99-L479 HydrophobicContact CB-CD2 3.99Å |
| 100 | T | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 179.9 | -58 | 0 | 0 | 0 | 0 | 111.9 | F96 F97 I98 A103 G104 V113 N482 | F96-T100 WeakPolarHBondContact O-CB 3.5Å; F96-T100 PolarHBondContact O-N 3.41Å; F96-T100 PolarHBondContact O-OG1 3.36Å; F97-T100 PolarHBondContact O-N 3.24Å; F97-T100 VanDerWaalsContact O-N 3.09Å; I98-T100 VanDerWaalsContact C-N 3.28Å; I98-T100 PolarHBondContact O-N 2.91Å; T100-A103 PolarHBondContact O-N 3.37Å; T100-G104 PolarHBondContact O-N 3.49Å; T100-V113 HydrophobicContact CG2-CG1 3.64Å; T100-V113 HydrophobicContact CG2-CG2 4.27Å; T100-N482 WeakPolarHBondContact CG2-ND2 3.47Å; T100-N482 PolarHBondContact OG1-ND2 2.82Å |
| 101 | I | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.9 | -66.4 | -57.2 | 0 | 0 | 0 | 111.2 | F97 I98 G104 H105 D106 N108 R110 V113 | F97-I101 HydrophobicContact CD1-CG1 3.82Å; F97-I101 HydrophobicContact CE1-CD1 4.17Å; F97-I101 HydrophobicContact CE1-CG1 3.46Å; F97-I101 VanDerWaalsContact CE1-CG1 3.46Å; F97-I101 HydrophobicContact CE2-CD1 4.38Å; F97-I101 HydrophobicContact CE2-CG1 4.32Å; F97-I101 HydrophobicContact CG-CG1 4.38Å; F97-I101 HydrophobicContact CZ-CD1 3.91Å; F97-I101 HydrophobicContact CZ-CG1 3.73Å; F97-I101 WeakPolarHBondContact O-CG1 3.18Å; F97-I101 PolarHBondContact O-N 3.27Å; I98-I101 PolarHBondContact O-N 3.02Å; I101-G104 CarbonylContact O-C 3Å; I101-G104 PolarHBondContact O-N 3.14Å; I101-H105 PolarHBondContact O-N 2.97Å; I101-H105 VanDerWaalsContact O-N 3.12Å; I101-D106 HydrophobicContact CG2-CB 4.27Å; I101-D106 WeakPolarHBondContact CG2-OD1 3.43Å; I101-D106 PolarHBondContact O-N 2.97Å; I101-N108 HydrophobicContact CD1-CB 3.75Å; I101-R110 HydrophobicContact CD1-CG 4.09Å; I101-V113 HydrophobicContact CD1-CB 4.12Å; I101-V113 HydrophobicContact CD1-CG1 4.14Å; I101-V113 HydrophobicContact CD1-CG2 3.79Å; I101-V113 HydrophobicContact CG1-CG1 4.41Å |
| 102 | K | 98 | Very high | 98.3 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.7 | -45.7 | 176.2 | -77.6 | 174.5 | 178.9 | 168.7 | 0 | 111.6 | I98 G104 H105 | I98-K102 HydrophobicContact CG2-CD 3.77Å; I98-K102 HydrophobicContact CG2-CG 4.3Å; I98-K102 VanDerWaalsContact O-CB 3.29Å; I98-K102 WeakPolarHBondContact O-CB 3.38Å; I98-K102 VanDerWaalsContact O-CG 3.25Å; I98-K102 WeakPolarHBondContact O-CG 3.42Å; I98-K102 PolarHBondContact O-N 3.2Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.35Å; K102-H105 PolarHBondContact O-N 2.92Å |
| 103 | A | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | D99 T100 H105 N477 L479 | D99-A103 VanDerWaalsContact O-CB 3.3Å; D99-A103 WeakPolarHBondContact O-CB 3.49Å; D99-A103 PolarHBondContact O-N 3.21Å; T100-A103 PolarHBondContact O-N 3.37Å; A103-H105 VanDerWaalsContact C-N 3.32Å; A103-N477 CarbonylContact C-O 3.51Å; A103-N477 WeakPolarHBondContact O-CB 3.4Å; A103-N477 PolarHBondContact O-ND2 2.97Å; A103-N477 VanDerWaalsContact O-ND2 3.07Å; A103-L479 HydrophobicContact CB-CB 3.89Å; A103-L479 HydrophobicContact CB-CD1 3.97Å; A103-L479 HydrophobicContact CB-CG 4.48Å |
| 104 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 8.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T100 I101 K102 D106 L107 N108 H474 G476 N477 | T100-G104 PolarHBondContact O-N 3.49Å; I101-G104 CarbonylContact O-C 3Å; I101-G104 PolarHBondContact O-N 3.14Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.35Å; G104-D106 VanDerWaalsContact C-N 3.26Å; G104-D106 PolarHBondContact O-N 3.25Å; G104-L107 WeakPolarHBondContact O-CB 3.31Å; G104-L107 PolarHBondContact O-N 2.83Å; G104-N108 VanDerWaalsContact CA-OD1 3.26Å; G104-N108 WeakPolarHBondContact CA-OD1 3.42Å; G104-H474 VanDerWaalsContact CA-O 3.24Å; G104-H474 WeakPolarHBondContact CA-O 3.4Å; G104-G476 PolarHBondContact O-N 3.14Å; G104-N477 WeakPolarHBondContact CA-O 3.2Å; G104-N477 PolarHBondContact N-O 3.35Å |
| 105 | H | 97.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32.9 | 178.3 | -55.7 | -64.8 | 0 | 0 | 0 | 114.5 | I101 K102 A103 L107 D328 | I101-H105 PolarHBondContact O-N 2.97Å; I101-H105 VanDerWaalsContact O-N 3.12Å; K102-H105 PolarHBondContact O-N 2.92Å; A103-H105 VanDerWaalsContact C-N 3.32Å; H105-L107 PolarHBondContact O-N 2.85Å; H105-D328 IonicContact CD2-OD2 3.78Å; H105-D328 IonicContact CE1-OD2 3.53Å; H105-D328 PolarHBondContact CE1-OD2 3.4Å; H105-D328 IonicContact NE2-OD2 2.68Å; H105-D328 PolarHBondContact NE2-OD2 3.18Å |
| 106 | D | 97.2 | Very high | 98.4 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 13.9 | -176.6 | -156.8 | 37.8 | 0 | 0 | 0 | 114.7 | I101 G104 N108 R110 | I101-D106 HydrophobicContact CG2-CB 4.27Å; I101-D106 WeakPolarHBondContact CG2-OD1 3.43Å; I101-D106 PolarHBondContact O-N 2.97Å; G104-D106 VanDerWaalsContact C-N 3.26Å; G104-D106 PolarHBondContact O-N 3.25Å; D106-N108 VanDerWaalsContact C-N 3.3Å; D106-R110 IonicContact OD1-CZ 2.92Å; D106-R110 IonicContact OD1-NE 3.82Å; D106-R110 PolarHBondContact OD1-NE 2.99Å; D106-R110 IonicContact OD1-NH2 3.64Å; D106-R110 PolarHBondContact OD1-NH2 3.27Å; D106-R110 IonicContact OD2-NH2 3.77Å |
| 107 | L | 98 | Very high | 98.4 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | trans | -86.5 | -4.4 | 173.9 | -60.9 | 179.4 | 0 | 0 | 0 | 112.4 | G104 H105 | G104-L107 WeakPolarHBondContact O-CB 3.31Å; G104-L107 PolarHBondContact O-N 2.83Å; H105-L107 PolarHBondContact O-N 2.85Å | ||
| 108 | N | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -68.6 | 147.5 | -179.5 | -45.2 | 65.7 | 0 | 0 | 0 | 111.1 | I101 G104 D106 R110 V113 G472 V473 H474 G475 | I101-N108 HydrophobicContact CD1-CB 3.75Å; G104-N108 VanDerWaalsContact CA-OD1 3.26Å; G104-N108 WeakPolarHBondContact CA-OD1 3.42Å; D106-N108 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 3.05Å; N108-R110 VanDerWaalsContact O-N 3.13Å; N108-V113 HydrophobicContact CB-CG2 3.47Å; N108-V113 VanDerWaalsContact CB-CG2 3.47Å; N108-G472 CarbonylContact C-O 3.56Å; N108-G472 WeakPolarHBondContact CA-O 3.14Å; N108-V473 PolarHBondContact ND2-O 3.23Å; N108-H474 WeakPolarHBondContact ND2-CA 3.35Å; N108-H474 PolarHBondContact ND2-O 3.22Å; N108-G475 PolarHBondContact ND2-N 2.7Å |
| 109 | N | 98.4 | Very high | 98.4 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 35% | 0.353 | 23% | 0.232 | S | C | . | . | trans | -68.6 | 108.9 | 159.6 | -178 | -43.5 | 0 | 0 | 0 | 108.9 | E111 L112 V113 G472 | N109-E111 VanDerWaalsContact C-N 3.28Å; N109-E111 PolarHBondContact O-N 2.93Å; N109-E111 WeakPolarHBondContact OD1-CB 3.44Å; N109-E111 PolarHBondContact OD1-N 3.26Å; N109-L112 HydrophobicContact CB-CB 4.19Å; N109-L112 HydrophobicContact CB-CD1 3.95Å; N109-L112 HydrophobicContact CB-CG 3.97Å; N109-L112 PolarHBondContact O-N 3.17Å; N109-L112 VanDerWaalsContact O-N 3.16Å; N109-L112 PolarHBondContact OD1-N 3Å; N109-L112 VanDerWaalsContact OD1-N 3.16Å; N109-V113 VanDerWaalsContact O-CG2 3.31Å; N109-V113 WeakPolarHBondContact O-CG2 3.39Å; N109-V113 PolarHBondContact O-N 2.76Å; N109-G472 PolarHBondContact N-O 3.39Å | ||
| 110 | R | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -33 | -176.3 | -70.3 | 177.5 | 170 | -118.1 | 2.8 | 113.3 | F97 I101 D106 N108 V113 S114 | F97-R110 WeakPolarHBondContact CE2-O 3.4Å; F97-R110 HydrophobicContact CZ-CB 4.09Å; F97-R110 HydrophobicContact CZ-CG 4.13Å; I101-R110 HydrophobicContact CD1-CG 4.09Å; D106-R110 IonicContact OD1-CZ 2.92Å; D106-R110 IonicContact OD1-NE 3.82Å; D106-R110 PolarHBondContact OD1-NE 2.99Å; D106-R110 IonicContact OD1-NH2 3.64Å; D106-R110 PolarHBondContact OD1-NH2 3.27Å; D106-R110 IonicContact OD2-NH2 3.77Å; N108-R110 PolarHBondContact O-N 3.05Å; N108-R110 VanDerWaalsContact O-N 3.13Å; R110-V113 PolarHBondContact O-N 2.88Å; R110-S114 WeakPolarHBondContact O-CB 3.23Å; R110-S114 PolarHBondContact O-N 3.5Å |
| 111 | E | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 176 | -62.8 | -173.1 | -177.4 | 0 | 0 | 111.3 | N109 V113 S114 L115 N448 | N109-E111 VanDerWaalsContact C-N 3.28Å; N109-E111 PolarHBondContact O-N 2.93Å; N109-E111 WeakPolarHBondContact OD1-CB 3.44Å; N109-E111 PolarHBondContact OD1-N 3.26Å; E111-V113 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 3.22Å; E111-S114 WeakPolarHBondContact O-CB 3.1Å; E111-S114 PolarHBondContact O-N 3.31Å; E111-L115 WeakPolarHBondContact O-CB 3.24Å; E111-L115 PolarHBondContact O-N 3.46Å; E111-N448 PolarHBondContact OE2-ND2 2.82Å |
| 112 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.5 | -60.6 | -176.1 | 0 | 0 | 0 | 111.4 | N109 L115 L116 I446 N448 V473 F490 | N109-L112 HydrophobicContact CB-CB 4.19Å; N109-L112 HydrophobicContact CB-CD1 3.95Å; N109-L112 HydrophobicContact CB-CG 3.97Å; N109-L112 PolarHBondContact O-N 3.17Å; N109-L112 VanDerWaalsContact O-N 3.16Å; N109-L112 PolarHBondContact OD1-N 3Å; N109-L112 VanDerWaalsContact OD1-N 3.16Å; L112-L115 PolarHBondContact O-N 3.24Å; L112-L116 WeakPolarHBondContact O-CB 3.17Å; L112-L116 PolarHBondContact O-N 3.01Å; L112-I446 HydrophobicContact CD1-CG1 4.16Å; L112-N448 HydrophobicContact CD2-CB 4.39Å; L112-V473 HydrophobicContact CB-CG2 4.09Å; L112-V473 HydrophobicContact CD1-CG2 4.11Å; L112-F490 HydrophobicContact CB-CE1 4.47Å; L112-F490 HydrophobicContact CB-CZ 4.06Å; L112-F490 HydrophobicContact CD2-CE1 3.88Å; L112-F490 HydrophobicContact CD2-CZ 4.33Å; L112-F490 WeakPolarHBondContact O-CZ 3.26Å |
| 113 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 111 | F97 T100 I101 N108 N109 R110 E111 L115 L116 V117 V473 | F97-V113 HydrophobicContact CD2-CB 4.04Å; F97-V113 HydrophobicContact CD2-CG1 3.53Å; F97-V113 HydrophobicContact CE2-CB 3.77Å; F97-V113 HydrophobicContact CE2-CG1 3.76Å; F97-V113 HydrophobicContact CG-CG1 4.26Å; T100-V113 HydrophobicContact CG2-CG1 3.64Å; T100-V113 HydrophobicContact CG2-CG2 4.27Å; I101-V113 HydrophobicContact CD1-CB 4.12Å; I101-V113 HydrophobicContact CD1-CG1 4.14Å; I101-V113 HydrophobicContact CD1-CG2 3.79Å; I101-V113 HydrophobicContact CG1-CG1 4.41Å; N108-V113 HydrophobicContact CB-CG2 3.47Å; N108-V113 VanDerWaalsContact CB-CG2 3.47Å; N109-V113 VanDerWaalsContact O-CG2 3.31Å; N109-V113 WeakPolarHBondContact O-CG2 3.39Å; N109-V113 PolarHBondContact O-N 2.76Å; R110-V113 PolarHBondContact O-N 2.88Å; E111-V113 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 3.22Å; V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 PolarHBondContact O-N 2.81Å; V113-L116 WeakPolarHBondContact O-CB 3.37Å; V113-L116 PolarHBondContact O-N 3.31Å; V113-V117 HydrophobicContact CG1-CG1 4.29Å; V113-V117 WeakPolarHBondContact O-CG1 3.32Å; V113-V117 WeakPolarHBondContact O-CG2 3.25Å; V113-V117 PolarHBondContact O-N 3.02Å; V113-V473 WeakPolarHBondContact CG2-O 3.36Å |
| 114 | S | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | R110 E111 L116 V117 H118 | R110-S114 WeakPolarHBondContact O-CB 3.23Å; R110-S114 PolarHBondContact O-N 3.5Å; E111-S114 WeakPolarHBondContact O-CB 3.1Å; E111-S114 PolarHBondContact O-N 3.31Å; S114-L116 PolarHBondContact O-N 3.08Å; S114-V117 WeakPolarHBondContact O-CG2 3.3Å; S114-V117 PolarHBondContact O-N 3.06Å; S114-H118 WeakPolarHBondContact O-CB 3.45Å; S114-H118 PolarHBondContact O-N 2.85Å; S114-H118 PolarHBondContact O-ND1 2.81Å; S114-H118 PolarHBondContact OG-CE1 3.08Å; S114-H118 PolarHBondContact OG-ND1 3.08Å |
| 115 | L | 98.7 | Very high | 98.5 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.7 | -171.5 | 55.9 | 0 | 0 | 0 | 112.4 | E111 L112 V113 S119 N448 F490 I493 | E111-L115 WeakPolarHBondContact O-CB 3.24Å; E111-L115 PolarHBondContact O-N 3.46Å; L112-L115 PolarHBondContact O-N 3.24Å; V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 PolarHBondContact O-N 2.81Å; L115-S119 WeakPolarHBondContact O-CB 3.27Å; L115-S119 PolarHBondContact O-N 3.18Å; L115-S119 PolarHBondContact O-OG 3.17Å; L115-N448 HydrophobicContact CD2-CB 4.34Å; L115-N448 WeakPolarHBondContact CD2-O 3.43Å; L115-F490 HydrophobicContact CD2-CE1 3.99Å; L115-F490 HydrophobicContact CG-CE1 4.47Å; L115-I493 HydrophobicContact CD1-CD1 4.35Å; L115-I493 HydrophobicContact CD2-CD1 3.5Å; L115-I493 VanDerWaalsContact CD2-CD1 3.5Å; L115-I493 HydrophobicContact CG-CD1 3.93Å |
| 116 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -52.4 | 176.8 | -178.3 | 79.1 | 0 | 0 | 0 | 111.5 | L112 V113 S114 S120 V473 N482 L485 E486 V489 F490 | L112-L116 WeakPolarHBondContact O-CB 3.17Å; L112-L116 PolarHBondContact O-N 3.01Å; V113-L116 WeakPolarHBondContact O-CB 3.37Å; V113-L116 PolarHBondContact O-N 3.31Å; S114-L116 PolarHBondContact O-N 3.08Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 3Å; L116-V473 HydrophobicContact CD1-CG1 4.46Å; L116-V473 HydrophobicContact CD2-CG1 3.83Å; L116-N482 HydrophobicContact CD2-CB 4.45Å; L116-L485 HydrophobicContact CD1-CB 4.4Å; L116-L485 HydrophobicContact CD1-CD2 3.92Å; L116-L485 HydrophobicContact CD1-CG 3.68Å; L116-L485 HydrophobicContact CD2-CD2 4.37Å; L116-L485 HydrophobicContact CG-CD2 3.87Å; L116-L485 HydrophobicContact CG-CG 4.21Å; L116-E486 HydrophobicContact CD1-CB 4.1Å; L116-V489 HydrophobicContact CD1-CB 4.45Å; L116-V489 HydrophobicContact CD1-CG2 4.44Å; L116-F490 HydrophobicContact CB-CE2 4.2Å; L116-F490 HydrophobicContact CB-CZ 4.43Å; L116-F490 HydrophobicContact CD1-CD2 4.44Å; L116-F490 HydrophobicContact CD1-CE2 3.87Å |
| 117 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -39.8 | -173.2 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | F96 F97 V113 S114 S119 S120 | F96-V117 HydrophobicContact CB-CB 4.43Å; F96-V117 HydrophobicContact CB-CG1 4.23Å; F96-V117 HydrophobicContact CD1-CB 3.71Å; F96-V117 HydrophobicContact CD1-CG1 3.6Å; F96-V117 HydrophobicContact CD2-CG1 4.21Å; F96-V117 HydrophobicContact CE1-CB 4.21Å; F96-V117 HydrophobicContact CE1-CG1 3.92Å; F96-V117 HydrophobicContact CE2-CG1 4.47Å; F96-V117 HydrophobicContact CG-CB 4.19Å; F96-V117 HydrophobicContact CG-CG1 3.75Å; F96-V117 HydrophobicContact CZ-CG1 4.33Å; F97-V117 HydrophobicContact CB-CG2 4.18Å; F97-V117 HydrophobicContact CD2-CG2 4.33Å; V113-V117 HydrophobicContact CG1-CG1 4.29Å; V113-V117 WeakPolarHBondContact O-CG1 3.32Å; V113-V117 WeakPolarHBondContact O-CG2 3.25Å; V113-V117 PolarHBondContact O-N 3.02Å; S114-V117 WeakPolarHBondContact O-CG2 3.3Å; S114-V117 PolarHBondContact O-N 3.06Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.03Å; V117-S120 VanDerWaalsContact O-CB 3.3Å; V117-S120 WeakPolarHBondContact O-CB 3.21Å; V117-S120 PolarHBondContact O-N 3.03Å; V117-S120 PolarHBondContact O-OG 3.2Å |
| 118 | H | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 39.9 Ų | 39.9 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70 | -28.3 | 178.2 | -70 | 98.4 | 0 | 0 | 0 | 112.5 | T93 S114 S120 | T93-H118 PolarHBondContact OG1-NE2 3.26Å; S114-H118 WeakPolarHBondContact O-CB 3.45Å; S114-H118 PolarHBondContact O-N 2.85Å; S114-H118 PolarHBondContact O-ND1 2.81Å; S114-H118 PolarHBondContact OG-CE1 3.08Å; S114-H118 PolarHBondContact OG-ND1 3.08Å; H118-S120 VanDerWaalsContact C-N 3.33Å |
| 119 | S | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.4 | 175.4 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | L115 V117 A123 | L115-S119 WeakPolarHBondContact O-CB 3.27Å; L115-S119 PolarHBondContact O-N 3.18Å; L115-S119 PolarHBondContact O-OG 3.17Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.03Å; S119-A123 WeakPolarHBondContact O-CB 3.44Å; S119-A123 PolarHBondContact O-N 3.33Å |
| 120 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.9 | -38.8 | -166.8 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | C79 L116 V117 H118 A123 V124 | C79-S120 WeakPolarHBondContact CB-OG 3.35Å; C79-S120 PolarHBondContact N-OG 2.82Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 3Å; V117-S120 VanDerWaalsContact O-CB 3.3Å; V117-S120 WeakPolarHBondContact O-CB 3.21Å; V117-S120 PolarHBondContact O-N 3.03Å; V117-S120 PolarHBondContact O-OG 3.2Å; H118-S120 VanDerWaalsContact C-N 3.33Å; S120-A123 PolarHBondContact O-N 3.43Å; S120-V124 PolarHBondContact O-N 3.46Å |
| 121 | G | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -55.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | C79 A123 V124 E125 | C79-G121 VanDerWaalsContact O-CA 3.26Å; C79-G121 WeakPolarHBondContact O-CA 3.48Å; G121-A123 VanDerWaalsContact C-N 3.26Å; G121-A123 PolarHBondContact O-N 3.24Å; G121-V124 PolarHBondContact O-N 2.94Å; G121-V124 VanDerWaalsContact O-N 3.08Å; G121-E125 WeakPolarHBondContact O-CG 3.49Å; G121-E125 PolarHBondContact O-N 3.05Å |
| 122 | D | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 32.5 Ų | 32.5 | 59% | 0.594 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -57.9 | -36.2 | 178.1 | -73.3 | -3.4 | 0 | 0 | 0 | 113.1 | E125 R126 | D122-E125 PolarHBondContact O-N 2.68Å; D122-R126 WeakPolarHBondContact O-CB 3.26Å; D122-R126 PolarHBondContact O-N 2.82Å |
| 123 | A | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | S119 S120 G121 L127 L485 V488 V489 | S119-A123 WeakPolarHBondContact O-CB 3.44Å; S119-A123 PolarHBondContact O-N 3.33Å; S120-A123 PolarHBondContact O-N 3.43Å; G121-A123 VanDerWaalsContact C-N 3.26Å; G121-A123 PolarHBondContact O-N 3.24Å; A123-L127 PolarHBondContact O-N 3.32Å; A123-L485 HydrophobicContact CB-CD1 3.69Å; A123-V488 HydrophobicContact CB-CB 4.2Å; A123-V488 HydrophobicContact CB-CG1 3.71Å; A123-V489 HydrophobicContact CB-CG2 3.88Å |
| 124 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -48 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | I76 T81 S120 G121 R126 L127 K128 L134 | I76-V124 HydrophobicContact CG2-CG2 4.41Å; T81-V124 HydrophobicContact CG2-CB 3.83Å; T81-V124 HydrophobicContact CG2-CG1 3.89Å; T81-V124 HydrophobicContact CG2-CG2 4.21Å; S120-V124 PolarHBondContact O-N 3.46Å; G121-V124 PolarHBondContact O-N 2.94Å; G121-V124 VanDerWaalsContact O-N 3.08Å; V124-R126 VanDerWaalsContact C-N 3.27Å; V124-R126 PolarHBondContact O-N 3.25Å; V124-L127 PolarHBondContact O-N 2.83Å; V124-L127 VanDerWaalsContact O-N 3.12Å; V124-K128 HydrophobicContact CG1-CD 4.1Å; V124-K128 HydrophobicContact CG1-CG 4.39Å; V124-K128 WeakPolarHBondContact O-CG 3.48Å; V124-K128 PolarHBondContact O-N 3.48Å; V124-L134 HydrophobicContact CG1-CB 4.28Å; V124-L134 HydrophobicContact CG1-CD1 3.99Å |
| 125 | E | 98.7 | Very high | 98 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.1 | -34.4 | -178.7 | -63.9 | -52.7 | 150.2 | 0 | 0 | 112.4 | S82 G121 D122 K128 S129 | S82-E125 WeakPolarHBondContact CB-OE1 3.32Å; S82-E125 PolarHBondContact N-OE1 3.25Å; S82-E125 VanDerWaalsContact OG-CD 3.27Å; S82-E125 PolarHBondContact OG-OE1 3Å; S82-E125 PolarHBondContact OG-OE2 2.98Å; S82-E125 VanDerWaalsContact OG-OE2 3.1Å; G121-E125 WeakPolarHBondContact O-CG 3.49Å; G121-E125 PolarHBondContact O-N 3.05Å; D122-E125 PolarHBondContact O-N 2.68Å; E125-K128 PolarHBondContact O-N 2.94Å; E125-S129 WeakPolarHBondContact O-CB 3.33Å; E125-S129 PolarHBondContact O-N 2.87Å |
| 126 | R | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 173.5 | -166.5 | -166.7 | -46.4 | -87.6 | 2 | 111.9 | Y47 D122 V124 K128 S129 I130 H492 | Y47-R126 HydrophobicContact CE1-CG 4.21Å; D122-R126 WeakPolarHBondContact O-CB 3.26Å; D122-R126 PolarHBondContact O-N 2.82Å; V124-R126 VanDerWaalsContact C-N 3.27Å; V124-R126 PolarHBondContact O-N 3.25Å; R126-K128 VanDerWaalsContact C-N 3.34Å; R126-S129 PolarHBondContact O-N 2.95Å; R126-S129 PolarHBondContact O-OG 3.44Å; R126-I130 PolarHBondContact O-N 2.82Å; R126-H492 PolarHBondContact NH1-CE1 2.92Å; R126-H492 PolarHBondContact NH1-NE2 2.9Å |
| 127 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.7 | -70.2 | -178 | 0 | 0 | 0 | 111.5 | I76 A123 V124 S129 I130 G131 V132 L134 I165 M169 V488 | I76-L127 HydrophobicContact CD1-CD1 3.77Å; A123-L127 PolarHBondContact O-N 3.32Å; V124-L127 PolarHBondContact O-N 2.83Å; V124-L127 VanDerWaalsContact O-N 3.12Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 3.35Å; L127-I130 HydrophobicContact CD2-CD1 4.41Å; L127-I130 WeakPolarHBondContact O-CG1 3.19Å; L127-I130 PolarHBondContact O-N 2.71Å; L127-G131 PolarHBondContact O-N 2.65Å; L127-V132 HydrophobicContact CB-CB 4.12Å; L127-V132 HydrophobicContact CB-CG2 4.2Å; L127-V132 WeakPolarHBondContact O-CB 3.44Å; L127-V132 WeakPolarHBondContact O-CG2 3.3Å; L127-V132 PolarHBondContact O-N 2.94Å; L127-L134 HydrophobicContact CB-CD1 3.98Å; L127-L134 HydrophobicContact CD1-CD1 4.02Å; L127-I165 HydrophobicContact CD1-CD1 4.18Å; L127-I165 HydrophobicContact CD1-CG1 4.31Å; L127-I165 HydrophobicContact CD1-CG2 4.18Å; L127-I165 HydrophobicContact CD2-CG2 4.08Å; L127-M169 HydrophobicContact CD2-CG 4.03Å; L127-M169 HydrophobicContact CD2-SD 3.76Å; L127-V488 HydrophobicContact CD1-CG2 4.04Å; L127-V488 HydrophobicContact CD2-CG2 4.48Å; L127-V488 HydrophobicContact CG-CG2 4.42Å |
| 128 | K | 98.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 42 Ų | 42 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.1 | -66.7 | -178.9 | 71.6 | 166.9 | 0 | 111.5 | S82 T83 V124 E125 R126 I130 G131 V132 L134 D135 | S82-K128 PolarHBondContact OG-NZ 3.36Å; T83-K128 PolarHBondContact OG1-NZ 3.47Å; V124-K128 HydrophobicContact CG1-CD 4.1Å; V124-K128 HydrophobicContact CG1-CG 4.39Å; V124-K128 WeakPolarHBondContact O-CG 3.48Å; V124-K128 PolarHBondContact O-N 3.48Å; E125-K128 PolarHBondContact O-N 2.94Å; R126-K128 VanDerWaalsContact C-N 3.34Å; K128-I130 PolarHBondContact O-N 3.23Å; K128-I130 VanDerWaalsContact O-N 3.13Å; K128-G131 PolarHBondContact O-N 3.21Å; K128-V132 WeakPolarHBondContact CA-O 3.45Å; K128-V132 WeakPolarHBondContact CG-O 3.45Å; K128-L134 HydrophobicContact CD-CB 4.38Å; K128-L134 HydrophobicContact CG-CB 4.09Å; K128-D135 VanDerWaalsContact CE-OD1 3.32Å; K128-D135 WeakPolarHBondContact CE-OD1 3.24Å; K128-D135 IonicContact NZ-OD1 3.18Å; K128-D135 PolarHBondContact NZ-OD1 3.33Å |
| 129 | S | 97.7 | Very high | 97.2 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 62% | 0.622 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.9 | -25.8 | -179.2 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | E125 R126 L127 | E125-S129 WeakPolarHBondContact O-CB 3.33Å; E125-S129 PolarHBondContact O-N 2.87Å; R126-S129 PolarHBondContact O-N 2.95Å; R126-S129 PolarHBondContact O-OG 3.44Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 3.35Å |
| 130 | I | 96.6 | Very high | 97 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.5 | 177.8 | 66.3 | 165.1 | 0 | 0 | 0 | 113.2 | R126 L127 K128 V132 T168 M169 H172 | R126-I130 PolarHBondContact O-N 2.82Å; L127-I130 HydrophobicContact CD2-CD1 4.41Å; L127-I130 WeakPolarHBondContact O-CG1 3.19Å; L127-I130 PolarHBondContact O-N 2.71Å; K128-I130 PolarHBondContact O-N 3.23Å; K128-I130 VanDerWaalsContact O-N 3.13Å; I130-V132 HydrophobicContact CG1-CG2 4.45Å; I130-T168 HydrophobicContact CD1-CG2 4.35Å; I130-T168 HydrophobicContact CG1-CG2 4.24Å; I130-T168 WeakPolarHBondContact O-CG2 3.41Å; I130-M169 HydrophobicContact CD1-CG 3.91Å; I130-M169 HydrophobicContact CD1-SD 3.27Å; I130-M169 WeakPolarHBondContact CD1-SD 3.4Å; I130-H172 HydrophobicContact CB-CB 4.38Å; I130-H172 HydrophobicContact CD1-CB 4.36Å |
| 131 | G | 96.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 109.7 | 7.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L127 K128 Q133 | L127-G131 PolarHBondContact O-N 2.65Å; K128-G131 PolarHBondContact O-N 3.21Å; G131-Q133 PolarHBondContact O-N 2.93Å |
| 132 | V | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -82.3 | 105.3 | 173.9 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | L127 K128 I130 L134 I151 I165 T168 | L127-V132 HydrophobicContact CB-CB 4.12Å; L127-V132 HydrophobicContact CB-CG2 4.2Å; L127-V132 WeakPolarHBondContact O-CB 3.44Å; L127-V132 WeakPolarHBondContact O-CG2 3.3Å; L127-V132 PolarHBondContact O-N 2.94Å; K128-V132 WeakPolarHBondContact CA-O 3.45Å; K128-V132 WeakPolarHBondContact CG-O 3.45Å; I130-V132 HydrophobicContact CG1-CG2 4.45Å; V132-L134 HydrophobicContact CB-CG 4.46Å; V132-L134 HydrophobicContact CG1-CD1 4.22Å; V132-L134 HydrophobicContact CG1-CD2 4.05Å; V132-L134 HydrophobicContact CG1-CG 3.78Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-I151 HydrophobicContact CG1-CD1 3.77Å; V132-I151 HydrophobicContact CG1-CG1 4.36Å; V132-I165 HydrophobicContact CG1-CG1 3.69Å; V132-I165 HydrophobicContact CG2-CG1 4.42Å; V132-T168 HydrophobicContact CG2-CG2 3.74Å | ||
| 133 | Q | 95.7 | Very high | 96.5 | Very high | 108 Ų | 108 | 31.4 Ų | 31.4 | 51% | 0.505 | 17% | 0.174 | S | C | . | . | trans | -76.1 | 82.2 | -176.8 | -57.5 | -60.8 | -38.1 | 0 | 0 | 112 | G131 D135 I151 | G131-Q133 PolarHBondContact O-N 2.93Å; Q133-D135 VanDerWaalsContact C-N 3.32Å; Q133-D135 PolarHBondContact O-N 3.34Å; Q133-D135 PolarHBondContact OE1-OD2 3.43Å; Q133-I151 WeakPolarHBondContact O-CA 3.35Å; Q133-I151 WeakPolarHBondContact O-CG2 3.21Å | ||
| 134 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -90.5 | 58.9 | -177.6 | -71.2 | 173 | 0 | 0 | 0 | 111.6 | I76 T83 V124 L127 K128 V132 H149 R150 I151 V161 | I76-L134 HydrophobicContact CG2-CD1 3.69Å; I76-L134 HydrophobicContact CG2-CD2 3.89Å; I76-L134 HydrophobicContact CG2-CG 4.44Å; T83-L134 WeakPolarHBondContact CG2-O 3.44Å; T83-L134 PolarHBondContact OG1-O 2.97Å; V124-L134 HydrophobicContact CG1-CB 4.28Å; V124-L134 HydrophobicContact CG1-CD1 3.99Å; L127-L134 HydrophobicContact CB-CD1 3.98Å; L127-L134 HydrophobicContact CD1-CD1 4.02Å; K128-L134 HydrophobicContact CD-CB 4.38Å; K128-L134 HydrophobicContact CG-CB 4.09Å; V132-L134 HydrophobicContact CB-CG 4.46Å; V132-L134 HydrophobicContact CG1-CD1 4.22Å; V132-L134 HydrophobicContact CG1-CD2 4.05Å; V132-L134 HydrophobicContact CG1-CG 3.78Å; V132-L134 PolarHBondContact O-N 3.38Å; L134-H149 HydrophobicContact CB-CB 4.04Å; L134-H149 HydrophobicContact CD2-CB 4.28Å; L134-H149 PolarHBondContact O-CD2 3.02Å; L134-R150 CarbonylContact C-O 3.6Å; L134-R150 WeakPolarHBondContact CA-O 3.41Å; L134-I151 HydrophobicContact CD2-CG1 3.95Å; L134-V161 HydrophobicContact CD2-CG1 4.34Å | ||
| 135 | D | 95.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | trans | -103.4 | -5.8 | -168.9 | -55 | -53.5 | 0 | 0 | 0 | 114.2 | T83 H87 K128 Q133 R150 | T83-D135 VanDerWaalsContact CG2-C 3.48Å; T83-D135 VanDerWaalsContact CG2-O 3.25Å; T83-D135 WeakPolarHBondContact CG2-O 3.43Å; H87-D135 PolarHBondContact CE1-O 2.86Å; K128-D135 VanDerWaalsContact CE-OD1 3.32Å; K128-D135 WeakPolarHBondContact CE-OD1 3.24Å; K128-D135 IonicContact NZ-OD1 3.18Å; K128-D135 PolarHBondContact NZ-OD1 3.33Å; Q133-D135 VanDerWaalsContact C-N 3.32Å; Q133-D135 PolarHBondContact O-N 3.34Å; Q133-D135 PolarHBondContact OE1-OD2 3.43Å; D135-R150 PolarHBondContact N-O 3.21Å | ||
| 136 | E | 93.9 | Very high | 96 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150 | 175.9 | -69.4 | -63.8 | 152.8 | 0 | 0 | 111.5 | H149 R150 | E136-H149 CarbonylContact O-C 3.55Å; E136-H149 VanDerWaalsContact O-CA 3.26Å; E136-H149 WeakPolarHBondContact O-CA 3.18Å; E136-R150 HydrophobicContact CB-CB 3.95Å; E136-R150 PolarHBondContact N-O 3.22Å; E136-R150 VanDerWaalsContact N-O 3.17Å; E136-R150 PolarHBondContact O-N 2.95Å |
| 137 | L | 94.5 | Very high | 95.9 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.4 | -179.5 | -74.1 | 170.3 | 0 | 0 | 0 | 113 | T83 Q84 H87 I89 T148 | T83-L137 HydrophobicContact CG2-CD1 4.08Å; T83-L137 HydrophobicContact CG2-CD2 4.45Å; T83-L137 HydrophobicContact CG2-CG 3.94Å; Q84-L137 HydrophobicContact CB-CD1 4.45Å; Q84-L137 HydrophobicContact CG-CD1 3.86Å; Q84-L137 HydrophobicContact CG-CD2 4.2Å; H87-L137 HydrophobicContact CB-CD1 3.98Å; I89-L137 HydrophobicContact CG1-CD1 4.2Å; L137-T148 WeakPolarHBondContact CA-O 3.48Å |
| 138 | V | 93.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.8 | 172.1 | 72 | 0 | 0 | 0 | 0 | 110.8 | L140 T148 R150 A304 | V138-L140 HydrophobicContact CG1-CD2 3.78Å; V138-L140 HydrophobicContact CG1-CG 4.41Å; V138-T148 HydrophobicContact CG1-CG2 4.1Å; V138-T148 PolarHBondContact N-O 3.49Å; V138-T148 WeakPolarHBondContact O-CB 3.32Å; V138-T148 PolarHBondContact O-N 3.26Å; V138-R150 HydrophobicContact CG1-CG 4.27Å; V138-A304 HydrophobicContact CG1-CB 3.99Å; V138-A304 HydrophobicContact CG2-CB 4.04Å |
| 139 | V | 94.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | trans | -96 | 131 | 167.2 | 63.4 | 0 | 0 | 0 | 0 | 109 | H143 K146 G307 L324 I417 | V139-H143 HydrophobicContact CG2-CB 3.91Å; V139-K146 HydrophobicContact CB-CG 3.99Å; V139-G307 WeakPolarHBondContact O-CA 3.49Å; V139-L324 HydrophobicContact CG1-CD1 4.37Å; V139-I417 HydrophobicContact CG1-CG2 4.29Å; V139-I417 HydrophobicContact CG2-CD1 4.16Å | ||
| 140 | L | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -104.6 | 171.3 | 174 | -58.2 | -174.4 | 0 | 0 | 0 | 110.4 | V138 G142 H143 T148 E303 A304 | V138-L140 HydrophobicContact CG1-CD2 3.78Å; V138-L140 HydrophobicContact CG1-CG 4.41Å; L140-G142 PolarHBondContact O-N 3.26Å; L140-H143 WeakPolarHBondContact O-CB 3.2Å; L140-H143 PolarHBondContact O-CD2 2.81Å; L140-H143 PolarHBondContact O-N 2.94Å; L140-T148 HydrophobicContact CD1-CG2 3.65Å; L140-T148 HydrophobicContact CD2-CG2 4.47Å; L140-T148 HydrophobicContact CG-CG2 3.97Å; L140-T148 WeakPolarHBondContact CG-OG1 3.48Å; L140-E303 HydrophobicContact CB-CG 3.81Å; L140-E303 HydrophobicContact CD1-CG 4.48Å; L140-E303 HydrophobicContact CD2-CB 3.98Å; L140-E303 HydrophobicContact CD2-CG 3.79Å; L140-E303 HydrophobicContact CG-CG 4.2Å; L140-A304 HydrophobicContact CD2-CB 4.04Å | ||
| 141 | G | 94.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 135.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H143 E303 L324 G325 | G141-H143 VanDerWaalsContact C-N 3.3Å; G141-H143 PolarHBondContact O-N 2.93Å; G141-E303 VanDerWaalsContact CA-OE1 3.3Å; G141-E303 WeakPolarHBondContact CA-OE1 3.34Å; G141-E303 PolarHBondContact N-OE1 2.85Å; G141-L324 CarbonylContact C-O 3.58Å; G141-L324 VanDerWaalsContact CA-O 3.24Å; G141-L324 WeakPolarHBondContact CA-O 3.31Å; G141-G325 WeakPolarHBondContact CA-O 3.42Å |
| 142 | G | 95 | Very high | 95.3 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 22% | 0.216 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -3.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L140 L324 | L140-G142 PolarHBondContact O-N 3.26Å; G142-L324 PolarHBondContact N-O 3.37Å |
| 143 | H | 96.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | trans | -88.3 | 138.4 | 175.2 | -68.4 | -112.2 | 0 | 0 | 0 | 111.7 | N77 V139 L140 G141 R147 L479 G480 | N77-H143 PolarHBondContact ND2-CE1 3.22Å; N77-H143 VanDerWaalsContact ND2-CE1 3.34Å; V139-H143 HydrophobicContact CG2-CB 3.91Å; L140-H143 WeakPolarHBondContact O-CB 3.2Å; L140-H143 PolarHBondContact O-CD2 2.81Å; L140-H143 PolarHBondContact O-N 2.94Å; G141-H143 VanDerWaalsContact C-N 3.3Å; G141-H143 PolarHBondContact O-N 2.93Å; H143-R147 PolarHBondContact ND1-NH1 2.74Å; H143-L479 WeakPolarHBondContact NE2-CG 3.21Å; H143-G480 PolarHBondContact CE1-O 2.73Å; H143-G480 PolarHBondContact NE2-O 3.45Å | ||
| 144 | S | 94.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -81.5 | -31.8 | 169.3 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | T95 D99 | T95-S144 WeakPolarHBondContact CG2-OG 3.47Å; D99-S144 VanDerWaalsContact CG-OG 3.28Å; D99-S144 PolarHBondContact OD1-OG 3.1Å; D99-S144 WeakPolarHBondContact OD2-CB 3.17Å; D99-S144 PolarHBondContact OD2-N 2.9Å; D99-S144 PolarHBondContact OD2-OG 2.69Å |
| 145 | I | 95 | Very high | 94 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -126.2 | 150.1 | -175.4 | -51.4 | -65.8 | 0 | 0 | 0 | 111.4 | I89 D91 T95 R147 | I89-I145 HydrophobicContact CG2-CG2 3.46Å; I89-I145 VanDerWaalsContact CG2-CG2 3.46Å; D91-I145 HydrophobicContact CB-CG2 3.86Å; T95-I145 HydrophobicContact CG2-CG1 4.09Å; I145-R147 PolarHBondContact O-N 2.89Å |
| 146 | K | 95.2 | Very high | 93.5 | Very high | 106 Ų | 106 | 41.2 Ų | 41.2 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | trans | -67.1 | 98 | 171 | -69.9 | -178.1 | -179.2 | -176.2 | 0 | 110.1 | Q84 I89 V139 | Q84-K146 PolarHBondContact NE2-O 2.79Å; I89-K146 HydrophobicContact CD1-CB 4.36Å; I89-K146 HydrophobicContact CD1-CD 4.34Å; V139-K146 HydrophobicContact CB-CG 3.99Å | ||
| 147 | R | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -130.4 | -0.9 | 180 | 73.5 | 175.8 | 66.2 | 94.3 | 1 | 114.9 | N77 G78 D91 F96 D99 H143 I145 H149 | N77-R147 VanDerWaalsContact CA-O 3.3Å; N77-R147 WeakPolarHBondContact CA-O 3.42Å; N77-R147 HydrophobicContact CB-CG 4.39Å; G78-R147 PolarHBondContact N-O 3.43Å; G78-R147 WeakPolarHBondContact O-CB 3.35Å; D91-R147 IonicContact OD1-CZ 2.81Å; D91-R147 IonicContact OD1-NE 3.23Å; D91-R147 IonicContact OD1-NH2 2.74Å; D91-R147 PolarHBondContact OD1-NH2 2.89Å; D91-R147 WeakPolarHBondContact OD2-CB 3.48Å; D91-R147 IonicContact OD2-CZ 3.77Å; D91-R147 IonicContact OD2-NE 2.82Å; D91-R147 PolarHBondContact OD2-NE 3.39Å; D91-R147 IonicContact OD2-NH2 3.89Å; F96-R147 VanDerWaalsContact CD2-CD 3.43Å; D99-R147 IonicContact OD2-CZ 2.93Å; D99-R147 IonicContact OD2-NH1 3.25Å; D99-R147 PolarHBondContact OD2-NH1 2.68Å; D99-R147 IonicContact OD2-NH2 2.78Å; D99-R147 PolarHBondContact OD2-NH2 3.4Å; H143-R147 PolarHBondContact ND1-NH1 2.74Å; I145-R147 PolarHBondContact O-N 2.89Å; R147-H149 PolarHBondContact O-CE1 3.25Å; R147-H149 PolarHBondContact O-N 3.26Å; R147-H149 PolarHBondContact O-ND1 3.5Å | ||
| 148 | T | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 108.3 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 109.3 | S74 N77 L137 V138 L140 | S74-T148 WeakPolarHBondContact O-CG2 3.15Å; N77-T148 WeakPolarHBondContact OD1-CA 3.48Å; N77-T148 WeakPolarHBondContact OD1-CB 3.47Å; N77-T148 PolarHBondContact OD1-OG1 3.02Å; L137-T148 WeakPolarHBondContact CA-O 3.48Å; V138-T148 HydrophobicContact CG1-CG2 4.1Å; V138-T148 PolarHBondContact N-O 3.49Å; V138-T148 WeakPolarHBondContact O-CB 3.32Å; V138-T148 PolarHBondContact O-N 3.26Å; L140-T148 HydrophobicContact CD1-CG2 3.65Å; L140-T148 HydrophobicContact CD2-CG2 4.47Å; L140-T148 HydrophobicContact CG-CG2 3.97Å; L140-T148 WeakPolarHBondContact CG-OG1 3.48Å |
| 149 | H | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 135.7 | -179.3 | -61.8 | 68.5 | 0 | 0 | 0 | 111.3 | G75 I76 G78 T81 L134 E136 R147 | G75-H149 CarbonylContact C-O 3.58Å; G75-H149 WeakPolarHBondContact CA-O 3.48Å; I76-H149 HydrophobicContact CG2-CB 4.18Å; I76-H149 PolarHBondContact N-O 2.95Å; I76-H149 WeakPolarHBondContact O-CB 3.29Å; I76-H149 PolarHBondContact O-N 3.32Å; I76-H149 PolarHBondContact O-ND1 2.87Å; G78-H149 PolarHBondContact O-CE1 3.02Å; T81-H149 WeakPolarHBondContact CB-NE2 3.34Å; T81-H149 WeakPolarHBondContact CG2-NE2 3.44Å; T81-H149 PolarHBondContact OG1-CE1 2.95Å; T81-H149 PolarHBondContact OG1-NE2 3.49Å; L134-H149 HydrophobicContact CB-CB 4.04Å; L134-H149 HydrophobicContact CD2-CB 4.28Å; L134-H149 PolarHBondContact O-CD2 3.02Å; E136-H149 CarbonylContact O-C 3.55Å; E136-H149 VanDerWaalsContact O-CA 3.26Å; E136-H149 WeakPolarHBondContact O-CA 3.18Å; R147-H149 PolarHBondContact O-CE1 3.25Å; R147-H149 PolarHBondContact O-N 3.26Å; R147-H149 PolarHBondContact O-ND1 3.5Å |
| 150 | R | 96 | Very high | 92.7 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 169.1 | 179.1 | -66.3 | -178 | 68.4 | -162.7 | -2.2 | 110.2 | S74 L134 D135 E136 V138 V161 F360 | S74-R150 VanDerWaalsContact O-CD 3.3Å; S74-R150 WeakPolarHBondContact O-CD 3.18Å; S74-R150 WeakPolarHBondContact O-CG 3.39Å; L134-R150 CarbonylContact C-O 3.6Å; L134-R150 WeakPolarHBondContact CA-O 3.41Å; D135-R150 PolarHBondContact N-O 3.21Å; E136-R150 HydrophobicContact CB-CB 3.95Å; E136-R150 PolarHBondContact N-O 3.22Å; E136-R150 VanDerWaalsContact N-O 3.17Å; E136-R150 PolarHBondContact O-N 2.95Å; V138-R150 HydrophobicContact CG1-CG 4.27Å; R150-V161 HydrophobicContact CB-CG2 4.32Å; R150-F360 PolarHBondContact NH1-O 3.22Å |
| 151 | I | 94.8 | Very high | 92.7 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 126.3 | 175.1 | -51.7 | 177.4 | 0 | 0 | 0 | 107.4 | V132 Q133 L134 V159 V161 T164 | V132-I151 HydrophobicContact CG1-CD1 3.77Å; V132-I151 HydrophobicContact CG1-CG1 4.36Å; Q133-I151 WeakPolarHBondContact O-CA 3.35Å; Q133-I151 WeakPolarHBondContact O-CG2 3.21Å; L134-I151 HydrophobicContact CD2-CG1 3.95Å; I151-V159 HydrophobicContact CB-CB 4.32Å; I151-V159 HydrophobicContact CB-CG1 4.17Å; I151-V159 HydrophobicContact CD1-CG1 4.21Å; I151-V159 HydrophobicContact CG2-CB 3.86Å; I151-V159 HydrophobicContact CG2-CG1 3.63Å; I151-V159 HydrophobicContact CG2-CG2 4.45Å; I151-V161 HydrophobicContact CB-CG2 4.43Å; I151-V161 HydrophobicContact CD1-CG1 4.35Å; I151-V161 HydrophobicContact CG1-CG1 4.28Å; I151-V161 HydrophobicContact CG1-CG2 4.23Å; I151-T164 HydrophobicContact CD1-CG2 3.6Å |
| 152 | G | 87.7 | Confident | 92.8 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 164.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V159 | G152-V159 WeakPolarHBondContact O-CG2 3.5Š|
| 153 | P | 87.9 | Confident | 92.9 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 143.7 | 174.8 | 28.8 | -34.1 | 0 | 0 | 0 | 110.6 | K157 P363 | P153-K157 CarbonylContact C-O 3.17Å; P153-K157 VanDerWaalsContact CA-O 3.23Å; P153-K157 WeakPolarHBondContact CA-O 3.41Å; P153-K157 WeakPolarHBondContact CB-O 3.1Å; P153-P363 HydrophobicContact CB-CB 4.4Å; P153-P363 HydrophobicContact CB-CG 3.99Å |
| 154 | K | 88.1 | Confident | 93 | Very high | 143 Ų | 143 | 53.1 Ų | 53.1 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -109.1 | 122.2 | 173.7 | -176.4 | 176.7 | 179.2 | 177.1 | 0 | 108.8 | G156 K157 V159 | K154-G156 PolarHBondContact O-N 2.97Å; K154-K157 PolarHBondContact N-O 3.2Å; K154-K157 WeakPolarHBondContact O-CB 3.49Å; K154-K157 PolarHBondContact O-N 3.22Å; K154-V159 HydrophobicContact CB-CG2 3.62Å |
| 155 | D | 88.4 | Confident | 93.2 | Very high | 142 Ų | 142 | 50.5 Ų | 50.5 | 76% | 0.759 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 40.1 | -177.3 | -49.5 | -45.8 | 0 | 0 | 0 | 112.2 | K157 | D155-K157 PolarHBondContact O-N 3Š|
| 156 | G | 84.1 | Confident | 93.4 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 5.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K154 P363 | K154-G156 PolarHBondContact O-N 2.97Å; G156-P363 VanDerWaalsContact O-CB 3.24Å; G156-P363 WeakPolarHBondContact O-CB 3.49Å; G156-P363 WeakPolarHBondContact O-CG 3.45Å |
| 157 | K | 88.2 | Confident | 93.5 | Very high | 148 Ų | 148 | 49.7 Ų | 49.7 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | B | Isolated β-bridge | trans | -101.2 | 147.2 | 179.6 | -64.4 | 177.2 | -176.8 | 174.1 | 0 | 111.6 | P153 K154 D155 | P153-K157 CarbonylContact C-O 3.17Å; P153-K157 VanDerWaalsContact CA-O 3.23Å; P153-K157 WeakPolarHBondContact CA-O 3.41Å; P153-K157 WeakPolarHBondContact CB-O 3.1Å; K154-K157 PolarHBondContact N-O 3.2Å; K154-K157 WeakPolarHBondContact O-CB 3.49Å; K154-K157 PolarHBondContact O-N 3.22Å; D155-K157 PolarHBondContact O-N 3Å |
| 158 | P | 87.4 | Confident | 93.6 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | trans | -65.2 | 138.5 | 176.1 | 27.6 | -33.4 | 0 | 0 | 0 | 111.5 | P363 A364 | P158-P363 HydrophobicContact CB-CB 4.24Å; P158-P363 HydrophobicContact CG-CB 4.47Å; P158-P363 WeakPolarHBondContact CG-O 3.41Å; P158-A364 HydrophobicContact CB-CB 4.18Å | ||
| 159 | V | 92 | Very high | 93.6 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | trans | -112.1 | 107.8 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | I151 G152 K154 V161 T164 | I151-V159 HydrophobicContact CB-CB 4.32Å; I151-V159 HydrophobicContact CB-CG1 4.17Å; I151-V159 HydrophobicContact CD1-CG1 4.21Å; I151-V159 HydrophobicContact CG2-CB 3.86Å; I151-V159 HydrophobicContact CG2-CG1 3.63Å; I151-V159 HydrophobicContact CG2-CG2 4.45Å; G152-V159 WeakPolarHBondContact O-CG2 3.5Å; K154-V159 HydrophobicContact CB-CG2 3.62Å; V159-V161 PolarHBondContact O-N 3.08Å; V159-T164 HydrophobicContact CG1-CG2 4.05Å; V159-T164 WeakPolarHBondContact CG1-OG1 3.44Å | ||
| 160 | P | 92.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | trans | -68.6 | 117.6 | -179.9 | 25.5 | -32.2 | 0 | 0 | 0 | 110.2 | G162 F163 T164 | P160-G162 PolarHBondContact O-N 2.79Å; P160-F163 HydrophobicContact CB-CB 4.05Å; P160-F163 HydrophobicContact CG-CB 3.87Å; P160-F163 HydrophobicContact CG-CD1 4Å; P160-F163 HydrophobicContact CG-CG 4.27Å; P160-T164 VanDerWaalsContact O-CB 3.25Å; P160-T164 WeakPolarHBondContact O-CB 3.37Å; P160-T164 PolarHBondContact O-N 3.4Å; P160-T164 PolarHBondContact O-OG1 3.06Å | ||
| 161 | V | 95.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -55.4 | -170.9 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | L134 R150 I151 V159 T164 I165 | L134-V161 HydrophobicContact CD2-CG1 4.34Å; R150-V161 HydrophobicContact CB-CG2 4.32Å; I151-V161 HydrophobicContact CB-CG2 4.43Å; I151-V161 HydrophobicContact CD1-CG1 4.35Å; I151-V161 HydrophobicContact CG1-CG1 4.28Å; I151-V161 HydrophobicContact CG1-CG2 4.23Å; V159-V161 PolarHBondContact O-N 3.08Å; V161-T164 PolarHBondContact O-N 3.4Å; V161-I165 HydrophobicContact CG1-CD1 3.78Å; V161-I165 HydrophobicContact CG1-CG1 4.5Å; V161-I165 WeakPolarHBondContact O-CG1 3.44Å; V161-I165 PolarHBondContact O-N 2.73Å |
| 162 | G | 97.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -50 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S69 A72 P160 T164 I165 I166 | S69-G162 CarbonylContact O-C 3.46Å; S69-G162 WeakPolarHBondContact O-CA 3.37Å; A72-G162 WeakPolarHBondContact O-CA 3.32Å; A72-G162 PolarHBondContact O-N 3.36Å; P160-G162 PolarHBondContact O-N 2.79Å; G162-T164 VanDerWaalsContact C-N 3.29Å; G162-T164 PolarHBondContact O-N 2.92Å; G162-I165 PolarHBondContact O-N 3.48Å; G162-I166 WeakPolarHBondContact O-CG1 3.3Å; G162-I166 PolarHBondContact O-N 2.98Å |
| 163 | F | 97.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 176.8 | 175.8 | -94.8 | 0 | 0 | 0 | 112 | A70 P160 I166 R167 | A70-F163 WeakPolarHBondContact O-CB 3.35Å; A70-F163 PolarHBondContact O-N 3.31Å; P160-F163 HydrophobicContact CB-CB 4.05Å; P160-F163 HydrophobicContact CG-CB 3.87Å; P160-F163 HydrophobicContact CG-CD1 4Å; P160-F163 HydrophobicContact CG-CG 4.27Å; F163-I166 PolarHBondContact O-N 2.86Å; F163-R167 WeakPolarHBondContact O-CB 3.43Å; F163-R167 PolarHBondContact O-N 2.77Å |
| 164 | T | 98.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | -179.6 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | I151 V159 P160 V161 G162 T168 | I151-T164 HydrophobicContact CD1-CG2 3.6Å; V159-T164 HydrophobicContact CG1-CG2 4.05Å; V159-T164 WeakPolarHBondContact CG1-OG1 3.44Å; P160-T164 VanDerWaalsContact O-CB 3.25Å; P160-T164 WeakPolarHBondContact O-CB 3.37Å; P160-T164 PolarHBondContact O-N 3.4Å; P160-T164 PolarHBondContact O-OG1 3.06Å; V161-T164 PolarHBondContact O-N 3.4Å; G162-T164 VanDerWaalsContact C-N 3.29Å; G162-T164 PolarHBondContact O-N 2.92Å; T164-T168 VanDerWaalsContact O-CB 3.25Å; T164-T168 WeakPolarHBondContact O-CB 3.42Å; T164-T168 PolarHBondContact O-N 2.91Å; T164-T168 PolarHBondContact O-OG1 2.69Å |
| 165 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 173.6 | -69.8 | 166.2 | 0 | 0 | 0 | 110.1 | L40 L127 V132 V161 G162 R167 T168 M169 L484 | L40-I165 HydrophobicContact CD1-CG2 3.5Å; L40-I165 HydrophobicContact CD2-CG2 3.96Å; L40-I165 HydrophobicContact CG-CG2 4.38Å; L127-I165 HydrophobicContact CD1-CD1 4.18Å; L127-I165 HydrophobicContact CD1-CG1 4.31Å; L127-I165 HydrophobicContact CD1-CG2 4.18Å; L127-I165 HydrophobicContact CD2-CG2 4.08Å; V132-I165 HydrophobicContact CG1-CG1 3.69Å; V132-I165 HydrophobicContact CG2-CG1 4.42Å; V161-I165 HydrophobicContact CG1-CD1 3.78Å; V161-I165 HydrophobicContact CG1-CG1 4.5Å; V161-I165 WeakPolarHBondContact O-CG1 3.44Å; V161-I165 PolarHBondContact O-N 2.73Å; G162-I165 PolarHBondContact O-N 3.48Å; I165-R167 PolarHBondContact O-N 2.89Å; I165-T168 PolarHBondContact O-N 3.4Å; I165-M169 HydrophobicContact CG2-CG 4.28Å; I165-M169 VanDerWaalsContact O-CB 3.31Å; I165-M169 WeakPolarHBondContact O-CB 3.29Å; I165-M169 VanDerWaalsContact O-CG 3.31Å; I165-M169 WeakPolarHBondContact O-CG 3.47Å; I165-M169 PolarHBondContact O-N 2.93Å; I165-L484 HydrophobicContact CD1-CD1 4.07Å |
| 166 | I | 98.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -51.5 | -179.8 | -70.9 | -59.6 | 0 | 0 | 0 | 111.4 | L40 L43 V65 A70 G162 F163 T168 M169 F170 | L40-I166 HydrophobicContact CB-CD1 3.9Å; L40-I166 HydrophobicContact CD1-CD1 4.41Å; L43-I166 HydrophobicContact CD1-CD1 3.81Å; L43-I166 HydrophobicContact CD1-CG2 4.16Å; V65-I166 HydrophobicContact CG2-CG2 4.31Å; A70-I166 HydrophobicContact CB-CG1 4.14Å; G162-I166 WeakPolarHBondContact O-CG1 3.3Å; G162-I166 PolarHBondContact O-N 2.98Å; F163-I166 PolarHBondContact O-N 2.86Å; I166-T168 PolarHBondContact O-N 3.06Å; I166-M169 PolarHBondContact O-N 3.26Å; I166-F170 WeakPolarHBondContact O-CB 3.35Å; I166-F170 PolarHBondContact O-N 3.36Å |
| 167 | R | 98.6 | Very high | 96.2 | Very high | 130 Ų | 130 | 53 Ų | 53 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | -179.8 | -176.3 | -177.5 | 66.6 | 172.2 | -1 | 111.1 | F163 I165 M169 F170 D171 | F163-R167 WeakPolarHBondContact O-CB 3.43Å; F163-R167 PolarHBondContact O-N 2.77Å; I165-R167 PolarHBondContact O-N 2.89Å; R167-M169 PolarHBondContact O-N 2.93Å; R167-F170 PolarHBondContact O-N 3.37Å; R167-D171 WeakPolarHBondContact CG-OD2 3.16Å; R167-D171 WeakPolarHBondContact O-CB 3.46Å; R167-D171 PolarHBondContact O-N 2.97Å |
| 168 | T | 98.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | I130 V132 T164 I165 I166 H172 | I130-T168 HydrophobicContact CD1-CG2 4.35Å; I130-T168 HydrophobicContact CG1-CG2 4.24Å; I130-T168 WeakPolarHBondContact O-CG2 3.41Å; V132-T168 HydrophobicContact CG2-CG2 3.74Å; T164-T168 VanDerWaalsContact O-CB 3.25Å; T164-T168 WeakPolarHBondContact O-CB 3.42Å; T164-T168 PolarHBondContact O-N 2.91Å; T164-T168 PolarHBondContact O-OG1 2.69Å; I165-T168 PolarHBondContact O-N 3.4Å; I166-T168 PolarHBondContact O-N 3.06Å; T168-H172 WeakPolarHBondContact O-CB 3.44Å; T168-H172 PolarHBondContact O-N 3.29Å |
| 169 | M | 98.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 174.5 | -79.3 | -72.4 | -62.1 | 0 | 0 | 111.7 | L40 L43 L127 I130 I165 I166 R167 H172 L173 | L40-M169 HydrophobicContact CD1-CG 4.27Å; L43-M169 HydrophobicContact CB-CB 4.33Å; L43-M169 HydrophobicContact CB-CE 4.19Å; L43-M169 HydrophobicContact CD1-CB 4.13Å; L127-M169 HydrophobicContact CD2-CG 4.03Å; L127-M169 HydrophobicContact CD2-SD 3.76Å; I130-M169 HydrophobicContact CD1-CG 3.91Å; I130-M169 HydrophobicContact CD1-SD 3.27Å; I130-M169 WeakPolarHBondContact CD1-SD 3.4Å; I165-M169 HydrophobicContact CG2-CG 4.28Å; I165-M169 VanDerWaalsContact O-CB 3.31Å; I165-M169 WeakPolarHBondContact O-CB 3.29Å; I165-M169 VanDerWaalsContact O-CG 3.31Å; I165-M169 WeakPolarHBondContact O-CG 3.47Å; I165-M169 PolarHBondContact O-N 2.93Å; I166-M169 PolarHBondContact O-N 3.26Å; R167-M169 PolarHBondContact O-N 2.93Å; M169-H172 PolarHBondContact O-N 3.31Å; M169-L173 VanDerWaalsContact O-CG 3.29Å; M169-L173 WeakPolarHBondContact O-CG 3.49Å; M169-L173 PolarHBondContact O-N 2.93Å |
| 170 | F | 98.6 | Very high | 96.9 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | -178.8 | -171.8 | -107.4 | 0 | 0 | 0 | 112.4 | L43 V65 I166 R167 H172 L173 K174 F184 V186 | L43-F170 HydrophobicContact CD1-CB 4.37Å; L43-F170 HydrophobicContact CD2-CD2 3.93Å; V65-F170 HydrophobicContact CG1-CD2 4.26Å; V65-F170 HydrophobicContact CG1-CE2 3.98Å; V65-F170 HydrophobicContact CG2-CB 4.38Å; V65-F170 HydrophobicContact CG2-CD1 4.45Å; V65-F170 HydrophobicContact CG2-CD2 3.77Å; V65-F170 HydrophobicContact CG2-CE2 4.07Å; V65-F170 HydrophobicContact CG2-CG 3.95Å; I166-F170 WeakPolarHBondContact O-CB 3.35Å; I166-F170 PolarHBondContact O-N 3.36Å; R167-F170 PolarHBondContact O-N 3.37Å; F170-H172 VanDerWaalsContact C-N 3.3Å; F170-H172 PolarHBondContact O-N 3.35Å; F170-L173 PolarHBondContact O-N 3.11Å; F170-K174 HydrophobicContact CE1-CG 4.22Å; F170-K174 HydrophobicContact CZ-CG 4.43Å; F170-K174 PolarHBondContact O-N 3.08Å; F170-F184 HydrophobicContact CD2-CE1 4.47Å; F170-F184 HydrophobicContact CE2-CE1 4.24Å; F170-F184 HydrophobicContact CE2-CZ 4.38Å; F170-V186 HydrophobicContact CE2-CG1 4.26Å; F170-V186 HydrophobicContact CE2-CG2 3.81Å; F170-V186 HydrophobicContact CZ-CG2 4.27Å |
| 171 | D | 98.3 | Very high | 96.8 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.5 | -67.5 | -17 | 0 | 0 | 0 | 110.9 | R167 K174 K175 | R167-D171 WeakPolarHBondContact CG-OD2 3.16Å; R167-D171 WeakPolarHBondContact O-CB 3.46Å; R167-D171 PolarHBondContact O-N 2.97Å; D171-K174 PolarHBondContact O-N 2.99Å; D171-K175 WeakPolarHBondContact O-CB 3.41Å; D171-K175 PolarHBondContact O-N 2.96Å |
| 172 | H | 98.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 62 Ų | 62 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.8 | -174.8 | 77.3 | 0 | 0 | 0 | 112.1 | Y47 I130 T168 M169 F170 K175 L176 | Y47-H172 AromaticContact CD2-CD2 3.97Å; Y47-H172 AromaticContact CE2-CD2 3.71Å; Y47-H172 AromaticContact CE2-NE2 3.5Å; I130-H172 HydrophobicContact CB-CB 4.38Å; I130-H172 HydrophobicContact CD1-CB 4.36Å; T168-H172 WeakPolarHBondContact O-CB 3.44Å; T168-H172 PolarHBondContact O-N 3.29Å; M169-H172 PolarHBondContact O-N 3.31Å; F170-H172 VanDerWaalsContact C-N 3.3Å; F170-H172 PolarHBondContact O-N 3.35Å; H172-K175 PolarHBondContact O-N 2.92Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 3.2Å |
| 173 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.4 | -72.9 | 165.5 | 0 | 0 | 0 | 111.8 | L43 Y47 L50 M169 F170 K175 L176 T177 F184 | L43-L173 HydrophobicContact CB-CD1 4.23Å; L43-L173 HydrophobicContact CD2-CD1 3.84Å; Y47-L173 VanDerWaalsContact CA-CD2 3.49Å; Y47-L173 HydrophobicContact CD2-CD2 4.29Å; L50-L173 HydrophobicContact CD1-CD2 3.53Å; M169-L173 VanDerWaalsContact O-CG 3.29Å; M169-L173 WeakPolarHBondContact O-CG 3.49Å; M169-L173 PolarHBondContact O-N 2.93Å; F170-L173 PolarHBondContact O-N 3.11Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 3.31Å; L173-L176 PolarHBondContact O-N 2.81Å; L173-T177 PolarHBondContact O-N 3.18Å; L173-T177 VanDerWaalsContact O-N 3.13Å; L173-T177 PolarHBondContact O-OG1 3.07Å; L173-F184 HydrophobicContact CB-CD1 3.86Å; L173-F184 HydrophobicContact CB-CE1 3.55Å; L173-F184 HydrophobicContact CB-CZ 4.16Å; L173-F184 HydrophobicContact CD1-CE1 4.09Å; L173-F184 HydrophobicContact CD1-CE2 4.49Å; L173-F184 HydrophobicContact CD1-CZ 3.84Å; L173-F184 HydrophobicContact CG-CE1 4.37Å |
| 174 | K | 97.4 | Very high | 96.6 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 176.4 | -71.5 | -62.7 | -174.7 | -171.5 | 0 | 112.4 | F170 D171 S178 F184 | F170-K174 HydrophobicContact CE1-CG 4.22Å; F170-K174 HydrophobicContact CZ-CG 4.43Å; F170-K174 PolarHBondContact O-N 3.08Å; D171-K174 PolarHBondContact O-N 2.99Å; K174-S178 PolarHBondContact O-N 3.42Å; K174-F184 HydrophobicContact CD-CD1 4.23Å; K174-F184 HydrophobicContact CD-CE1 4.37Å |
| 175 | K | 97 | Very high | 96.6 | Very high | 162 Ų | 162 | 61.8 Ų | 61.8 | 70% | 0.704 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 174.2 | -174.8 | 179 | 178.8 | -178.8 | 0 | 111.9 | D171 H172 L173 T177 S178 | D171-K175 WeakPolarHBondContact O-CB 3.41Å; D171-K175 PolarHBondContact O-N 2.96Å; H172-K175 PolarHBondContact O-N 2.92Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 3.31Å; K175-T177 PolarHBondContact O-N 3.48Å; K175-S178 PolarHBondContact O-N 2.94Å; K175-S178 PolarHBondContact O-OG 3.41Å |
| 176 | L | 95.2 | Very high | 96.6 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -33 | 179.5 | -175.8 | 64 | 0 | 0 | 0 | 111.9 | Y47 L50 H172 L173 | Y47-L176 HydrophobicContact CD2-CD2 4.38Å; Y47-L176 HydrophobicContact CE2-CD2 4.41Å; L50-L176 HydrophobicContact CB-CD2 4.2Å; L50-L176 HydrophobicContact CD1-CD2 4.32Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 3.2Å; L173-L176 PolarHBondContact O-N 2.81Å |
| 177 | T | 96.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 17.4 | -178.5 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | L50 L173 K175 S179 Q180 P181 H183 F184 | L50-T177 HydrophobicContact CD1-CG2 3.87Å; L50-T177 HydrophobicContact CD2-CG2 3.82Å; L50-T177 HydrophobicContact CG-CG2 4.49Å; L173-T177 PolarHBondContact O-N 3.18Å; L173-T177 VanDerWaalsContact O-N 3.13Å; L173-T177 PolarHBondContact O-OG1 3.07Å; K175-T177 PolarHBondContact O-N 3.48Å; T177-S179 VanDerWaalsContact C-N 3.26Å; T177-S179 PolarHBondContact O-N 3.45Å; T177-Q180 CarbonylContact O-C 3.25Å; T177-Q180 PolarHBondContact O-N 3.35Å; T177-P181 WeakPolarHBondContact O-CA 3.46Å; T177-P181 VanDerWaalsContact O-N 3.08Å; T177-H183 HydrophobicContact CG2-CB 4.18Å; T177-F184 HydrophobicContact CG2-CB 3.61Å |
| 178 | S | 95.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -30.1 | -175.1 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | K174 K175 | K174-S178 PolarHBondContact O-N 3.42Å; K175-S178 PolarHBondContact O-N 2.94Å; K175-S178 PolarHBondContact O-OG 3.41Å |
| 179 | S | 94.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 64.6 Ų | 64.6 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.4 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | T177 | T177-S179 VanDerWaalsContact C-N 3.26Å; T177-S179 PolarHBondContact O-N 3.45Å |
| 180 | Q | 92.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | trans | -143.7 | 67 | -176.7 | -69.7 | 175 | -31.4 | 0 | 0 | 108.7 | T177 D182 H183 | T177-Q180 CarbonylContact O-C 3.25Å; T177-Q180 PolarHBondContact O-N 3.35Å; Q180-D182 PolarHBondContact O-N 3.5Å; Q180-D182 VanDerWaalsContact O-N 3.1Å; Q180-H183 HydrophobicContact CB-CB 4.38Å; Q180-H183 VanDerWaalsContact O-CB 3.32Å; Q180-H183 WeakPolarHBondContact O-CB 3.49Å; Q180-H183 PolarHBondContact O-N 3.06Å; Q180-H183 PolarHBondContact OE1-CE1 3.41Å; Q180-H183 PolarHBondContact OE1-ND1 3Å; Q180-H183 VanDerWaalsContact OE1-ND1 3.14Å | ||
| 181 | P | 90.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -58.9 | -29 | -171.7 | 22.4 | -33.5 | 0 | 0 | 0 | 112.9 | T177 H183 F184 | T177-P181 WeakPolarHBondContact O-CA 3.46Å; T177-P181 VanDerWaalsContact O-N 3.08Å; P181-H183 PolarHBondContact O-N 3.43Å; P181-F184 CarbonylContact O-C 3.6Å; P181-F184 PolarHBondContact O-N 3.09Å; P181-F184 VanDerWaalsContact O-N 3.15Å |
| 182 | D | 91.7 | Very high | 96.6 | Very high | 120 Ų | 120 | 62.3 Ų | 62.3 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -67.6 | -12.3 | 176.8 | -62 | -23.3 | 0 | 0 | 0 | 113.8 | K55 Q180 F184 | K55-D182 VanDerWaalsContact CD-O 3.29Å; K55-D182 WeakPolarHBondContact CD-O 3.44Å; K55-D182 WeakPolarHBondContact CE-O 3.48Å; K55-D182 WeakPolarHBondContact CG-O 3.33Å; K55-D182 PolarHBondContact NZ-O 2.92Å; Q180-D182 PolarHBondContact O-N 3.5Å; Q180-D182 VanDerWaalsContact O-N 3.1Å; D182-F184 VanDerWaalsContact C-N 3.33Å |
| 183 | H | 95.5 | Very high | 96.5 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -75.6 | -22.9 | 173.7 | -72.9 | -157.4 | 0 | 0 | 0 | 112.2 | Q30 L50 V56 T177 Q180 P181 | Q30-H183 PolarHBondContact NE2-CE1 2.88Å; Q30-H183 PolarHBondContact NE2-ND1 2.85Å; L50-H183 HydrophobicContact CD2-CB 4.16Å; L50-H183 WeakPolarHBondContact CD2-O 3.39Å; V56-H183 PolarHBondContact N-O 2.96Å; T177-H183 HydrophobicContact CG2-CB 4.18Å; Q180-H183 HydrophobicContact CB-CB 4.38Å; Q180-H183 VanDerWaalsContact O-CB 3.32Å; Q180-H183 WeakPolarHBondContact O-CB 3.49Å; Q180-H183 PolarHBondContact O-N 3.06Å; Q180-H183 PolarHBondContact OE1-CE1 3.41Å; Q180-H183 PolarHBondContact OE1-ND1 3Å; Q180-H183 VanDerWaalsContact OE1-ND1 3.14Å; P181-H183 PolarHBondContact O-N 3.43Å |
| 184 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 89.4 | 176.3 | -179.9 | -126.1 | 0 | 0 | 0 | 111.8 | L50 V56 L58 F170 L173 K174 T177 P181 D182 V186 | L50-F184 HydrophobicContact CD1-CB 4.13Å; L50-F184 HydrophobicContact CD1-CD2 4.47Å; L50-F184 HydrophobicContact CD1-CG 4.29Å; L50-F184 HydrophobicContact CD2-CB 4.28Å; V56-F184 HydrophobicContact CB-CD2 4.1Å; V56-F184 HydrophobicContact CG1-CD2 4.04Å; V56-F184 HydrophobicContact CG1-CE2 4.27Å; V56-F184 WeakPolarHBondContact O-CA 3.29Å; L58-F184 HydrophobicContact CB-CE2 4.02Å; L58-F184 HydrophobicContact CD1-CE2 4.32Å; L58-F184 HydrophobicContact CD1-CZ 4.42Å; F170-F184 HydrophobicContact CD2-CE1 4.47Å; F170-F184 HydrophobicContact CE2-CE1 4.24Å; F170-F184 HydrophobicContact CE2-CZ 4.38Å; L173-F184 HydrophobicContact CB-CD1 3.86Å; L173-F184 HydrophobicContact CB-CE1 3.55Å; L173-F184 HydrophobicContact CB-CZ 4.16Å; L173-F184 HydrophobicContact CD1-CE1 4.09Å; L173-F184 HydrophobicContact CD1-CE2 4.49Å; L173-F184 HydrophobicContact CD1-CZ 3.84Å; L173-F184 HydrophobicContact CG-CE1 4.37Å; K174-F184 HydrophobicContact CD-CD1 4.23Å; K174-F184 HydrophobicContact CD-CE1 4.37Å; T177-F184 HydrophobicContact CG2-CB 3.61Å; P181-F184 CarbonylContact O-C 3.6Å; P181-F184 PolarHBondContact O-N 3.09Å; P181-F184 VanDerWaalsContact O-N 3.15Å; D182-F184 VanDerWaalsContact C-N 3.33Å; F184-V186 HydrophobicContact CD1-CG2 4.25Å; F184-V186 HydrophobicContact CD2-CG2 4.47Å; F184-V186 HydrophobicContact CE1-CG2 3.6Å; F184-V186 HydrophobicContact CE2-CG2 3.87Å; F184-V186 HydrophobicContact CZ-CG2 3.38Å |
| 185 | E | 98.2 | Very high | 96.6 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139.2 | 175.2 | -170.6 | -175 | 177.1 | 0 | 0 | 110.3 | V56 T57 L58 R187 | V56-E185 PolarHBondContact O-N 2.94Å; T57-E185 WeakPolarHBondContact CA-O 3.29Å; T57-E185 HydrophobicContact CG2-CB 4.42Å; T57-E185 PolarHBondContact OG1-OE2 3.31Å; L58-E185 PolarHBondContact N-O 3.45Å; E185-R187 HydrophobicContact CG-CG 4.38Å; E185-R187 IonicContact OE1-CZ 3.85Å; E185-R187 VanDerWaalsContact OE1-CZ 3.27Å; E185-R187 IonicContact OE1-NE 2.89Å; E185-R187 PolarHBondContact OE1-NE 2.93Å; E185-R187 IonicContact OE1-NH2 3.11Å; E185-R187 PolarHBondContact OE1-NH2 3.35Å; E185-R187 IonicContact OE2-NE 3.31Å; E185-R187 IonicContact OE2-NH2 3.67Å |
| 186 | V | 98.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.4 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | L58 V65 F170 F184 T188 | L58-V186 HydrophobicContact CB-CG2 4.37Å; L58-V186 HydrophobicContact CD2-CG1 4.07Å; L58-V186 CarbonylContact O-C 3.53Å; L58-V186 WeakPolarHBondContact O-CA 3.19Å; V65-V186 HydrophobicContact CG1-CG1 4.21Å; F170-V186 HydrophobicContact CE2-CG1 4.26Å; F170-V186 HydrophobicContact CE2-CG2 3.81Å; F170-V186 HydrophobicContact CZ-CG2 4.27Å; F184-V186 HydrophobicContact CD1-CG2 4.25Å; F184-V186 HydrophobicContact CD2-CG2 4.47Å; F184-V186 HydrophobicContact CE1-CG2 3.6Å; F184-V186 HydrophobicContact CE2-CG2 3.87Å; F184-V186 HydrophobicContact CZ-CG2 3.38Å; V186-T188 HydrophobicContact CG1-CG2 4.28Å |
| 187 | R | 98 | Very high | 96.8 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 96.7 | 177.7 | -63.7 | -170.8 | 179.1 | -169.4 | 1.5 | 109.9 | T57 L58 E60 E185 T190 E217 | T57-R187 HydrophobicContact CG2-CG 4.34Å; L58-R187 PolarHBondContact O-N 2.95Å; E60-R187 PolarHBondContact N-O 2.72Å; E185-R187 HydrophobicContact CG-CG 4.38Å; E185-R187 IonicContact OE1-CZ 3.85Å; E185-R187 VanDerWaalsContact OE1-CZ 3.27Å; E185-R187 IonicContact OE1-NE 2.89Å; E185-R187 PolarHBondContact OE1-NE 2.93Å; E185-R187 IonicContact OE1-NH2 3.11Å; E185-R187 PolarHBondContact OE1-NH2 3.35Å; E185-R187 IonicContact OE2-NE 3.31Å; E185-R187 IonicContact OE2-NH2 3.67Å; R187-T190 HydrophobicContact CB-CG2 4.44Å; R187-E217 IonicContact CZ-OE1 2.68Å; R187-E217 IonicContact NH1-OE1 3.72Å; R187-E217 PolarHBondContact NH1-OE1 3.37Å; R187-E217 IonicContact NH1-OE2 3.45Å; R187-E217 PolarHBondContact NH1-OE2 3.27Å; R187-E217 VanDerWaalsContact NH1-OE2 3.11Å |
| 188 | T | 98.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 31% | 0.307 | 32% | 0.32 | S | S | . | . | trans | -80.6 | 168.5 | 172.4 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | E60 E62 V186 T190 | E60-T188 HydrophobicContact CB-CG2 4.38Å; E60-T188 HydrophobicContact CG-CG2 4.44Å; E60-T188 CarbonylContact O-C 3.54Å; E60-T188 VanDerWaalsContact O-C 3.23Å; E60-T188 VanDerWaalsContact O-CA 3.29Å; E60-T188 WeakPolarHBondContact O-CA 3.48Å; E62-T188 WeakPolarHBondContact O-CB 3.3Å; V186-T188 HydrophobicContact CG1-CG2 4.28Å; T188-T190 PolarHBondContact O-N 3.5Å; T188-T190 VanDerWaalsContact O-N 3.15Å; T188-T190 PolarHBondContact O-OG1 3.26Å | ||
| 189 | N | 98.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 51.3 | 32.4 | -176.2 | -55.4 | -72.8 | 0 | 0 | 0 | 112.5 | E60 G61 E62 K63 S210 A211 | E60-N189 PolarHBondContact O-N 3.2Å; G61-N189 WeakPolarHBondContact O-CA 3.26Å; E62-N189 PolarHBondContact O-N 3.13Å; K63-N189 WeakPolarHBondContact CA-OD1 3.47Å; N189-S210 WeakPolarHBondContact O-CA 3.47Å; N189-A211 HydrophobicContact CB-CB 4.02Å; N189-A211 PolarHBondContact O-N 3.31Å |
| 190 | T | 98.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 110.4 | -171.8 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | V59 E60 G61 R187 T188 V208 | V59-T190 HydrophobicContact CG1-CG2 3.81Å; V59-T190 WeakPolarHBondContact CG1-O 3.25Å; E60-T190 CarbonylContact C-O 3.47Å; E60-T190 PolarHBondContact O-N 3.47Å; G61-T190 WeakPolarHBondContact CA-O 3.27Å; G61-T190 PolarHBondContact N-O 2.97Å; R187-T190 HydrophobicContact CB-CG2 4.44Å; T188-T190 PolarHBondContact O-N 3.5Å; T188-T190 VanDerWaalsContact O-N 3.15Å; T188-T190 PolarHBondContact O-OG1 3.26Å; T190-V208 HydrophobicContact CG2-CB 3.71Å; T190-V208 HydrophobicContact CG2-CG1 4.49Å; T190-V208 HydrophobicContact CG2-CG2 3.71Å |
| 191 | L | 98.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.9 | -177.1 | -63.9 | 173.7 | 0 | 0 | 0 | 110.4 | V208 K209 | L191-V208 CarbonylContact O-C 3.12Å; L191-V208 VanDerWaalsContact O-CA 3.24Å; L191-V208 WeakPolarHBondContact O-CA 3.29Å; L191-K209 PolarHBondContact N-O 3.25Å; L191-K209 PolarHBondContact O-N 3.45Å |
| 192 | A | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 57 Ų | 57 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I36 V206 M266 | I36-A192 HydrophobicContact CD1-CB 3.96Å; I36-A192 HydrophobicContact CG1-CB 4.41Å; I36-A192 HydrophobicContact CG2-CB 3.53Å; A192-V206 HydrophobicContact CB-CG2 3.89Å; A192-M266 HydrophobicContact CB-CE 3.86Å; A192-M266 HydrophobicContact CB-SD 3.95Å |
| 193 | R | 97.7 | Very high | 97.1 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -22.3 | -173.8 | -64.4 | -63.2 | -169.5 | -178 | 2.1 | 113.7 | R207 K209 E216 | R193-R207 PolarHBondContact N-O 2.83Å; R193-K209 HydrophobicContact CG-CB 3.99Å; R193-E216 WeakPolarHBondContact CG-OE1 3.39Å |
| 194 | G | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | 168.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | V206 R207 M266 | G194-V206 WeakPolarHBondContact O-CA 3.45Å; G194-V206 WeakPolarHBondContact O-CG2 3.45Å; G194-R207 PolarHBondContact O-N 2.76Å; G194-M266 PolarHBondContact N-SD 2.68Å |
| 195 | F | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 152.9 | 177.8 | -57.1 | -68.6 | 0 | 0 | 0 | 112 | I36 I197 V203 V224 L226 M266 I270 L463 | I36-F195 HydrophobicContact CD1-CE1 4.4Å; F195-I197 HydrophobicContact CB-CG1 4.22Å; F195-V203 HydrophobicContact CB-CG1 4.13Å; F195-V203 HydrophobicContact CB-CG2 4.29Å; F195-V203 HydrophobicContact CD1-CG1 3.8Å; F195-V203 HydrophobicContact CG-CG1 4.22Å; F195-V203 HydrophobicContact CG-CG2 4.37Å; F195-V224 HydrophobicContact CD1-CG1 4.28Å; F195-V224 HydrophobicContact CE1-CB 4.46Å; F195-V224 HydrophobicContact CE1-CG1 3.84Å; F195-L226 HydrophobicContact CE1-CD2 4.13Å; F195-L226 HydrophobicContact CE1-CG 4.28Å; F195-L226 HydrophobicContact CE2-CD1 4.44Å; F195-L226 HydrophobicContact CZ-CD1 3.63Å; F195-L226 HydrophobicContact CZ-CD2 3.77Å; F195-L226 HydrophobicContact CZ-CG 3.82Å; F195-M266 HydrophobicContact CE2-CB 3.99Å; F195-M266 HydrophobicContact CZ-CB 4.44Å; F195-I270 HydrophobicContact CD2-CD1 3.6Å; F195-I270 HydrophobicContact CD2-CG1 4.13Å; F195-I270 HydrophobicContact CD2-CG2 4.04Å; F195-I270 HydrophobicContact CE2-CD1 3.96Å; F195-I270 HydrophobicContact CE2-CG1 4.39Å; F195-I270 HydrophobicContact CG-CD1 4.39Å; F195-L463 HydrophobicContact CD1-CD1 4.12Å; F195-L463 HydrophobicContact CE1-CD1 3.4Å; F195-L463 VanDerWaalsContact CE1-CD1 3.4Å; F195-L463 HydrophobicContact CE1-CD2 4.49Å; F195-L463 HydrophobicContact CE2-CD1 4.43Å; F195-L463 HydrophobicContact CE2-CD2 4.13Å; F195-L463 HydrophobicContact CZ-CD1 3.57Å; F195-L463 HydrophobicContact CZ-CD2 4.03Å; F195-L463 HydrophobicContact CZ-CG 4.48Å |
| 196 | V | 98.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.3 | 161.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | V203 V204 G205 R207 V218 | V196-V203 WeakPolarHBondContact O-CA 3.4Å; V196-V204 HydrophobicContact CB-CG2 4.37Å; V196-V204 HydrophobicContact CG1-CG2 3.91Å; V196-V204 PolarHBondContact O-N 3.28Å; V196-G205 PolarHBondContact N-O 3.49Å; V196-R207 HydrophobicContact CG2-CG 4.17Å; V196-V218 HydrophobicContact CG2-CG1 3.84Å; V196-V218 HydrophobicContact CG2-CG2 4.26Å |
| 197 | I | 97.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 36% | 0.359 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.8 | -176.4 | -58.2 | -179.5 | 0 | 0 | 0 | 108.3 | F195 A202 V203 I270 | F195-I197 HydrophobicContact CB-CG1 4.22Å; I197-A202 CarbonylContact C-O 3.58Å; I197-A202 VanDerWaalsContact CA-O 3.26Å; I197-A202 WeakPolarHBondContact CA-O 3.35Å; I197-V203 HydrophobicContact CG1-CG2 4.28Å; I197-I270 HydrophobicContact CD1-CB 3.96Å; I197-I270 HydrophobicContact CD1-CD1 4.21Å; I197-I270 HydrophobicContact CD1-CG2 3.76Å |
| 198 | D | 96.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | trans | -80.4 | 177.6 | 176.3 | 76.8 | 2.7 | 0 | 0 | 0 | 112.8 | N200 G201 A202 V204 | D198-N200 PolarHBondContact O-N 3.34Å; D198-N200 VanDerWaalsContact O-N 3.16Å; D198-N200 WeakPolarHBondContact OD1-CA 3.25Å; D198-N200 WeakPolarHBondContact OD1-CB 3.42Å; D198-N200 PolarHBondContact OD1-N 3.31Å; D198-G201 PolarHBondContact O-N 2.84Å; D198-G201 PolarHBondContact OD1-N 3.48Å; D198-A202 PolarHBondContact N-O 2.96Å; D198-A202 WeakPolarHBondContact OD1-CB 3.26Å; D198-A202 PolarHBondContact OD1-N 3.02Å; D198-V204 HydrophobicContact CB-CG1 4.09Å; D198-V204 HydrophobicContact CB-CG2 4.26Å | ||
| 199 | E | 94.4 | Very high | 97.2 | Very high | 188 Ų | 188 | 48.5 Ų | 48.5 | 88% | 0.879 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.5 | 177.6 | 63.3 | -157.5 | -163.4 | 0 | 0 | 114.7 | ||
| 200 | N | 91.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 46 Ų | 46 | 65% | 0.652 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.8 | 177.6 | -60.4 | -62.7 | 0 | 0 | 0 | 112.6 | D198 A202 | D198-N200 PolarHBondContact O-N 3.34Å; D198-N200 VanDerWaalsContact O-N 3.16Å; D198-N200 WeakPolarHBondContact OD1-CA 3.25Å; D198-N200 WeakPolarHBondContact OD1-CB 3.42Å; D198-N200 PolarHBondContact OD1-N 3.31Å; N200-A202 VanDerWaalsContact C-N 3.35Å |
| 201 | G | 92 | Very high | 97 | Very high | 27 Ų | 27 | 50 Ų | 50 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 78.3 | 14.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D198 | D198-G201 PolarHBondContact O-N 2.84Å; D198-G201 PolarHBondContact OD1-N 3.48Å |
| 202 | A | 95 | Very high | 96.7 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -85.3 | 141.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | I197 D198 N200 V204 R461 | I197-A202 CarbonylContact C-O 3.58Å; I197-A202 VanDerWaalsContact CA-O 3.26Å; I197-A202 WeakPolarHBondContact CA-O 3.35Å; D198-A202 PolarHBondContact N-O 2.96Å; D198-A202 WeakPolarHBondContact OD1-CB 3.26Å; D198-A202 PolarHBondContact OD1-N 3.02Å; N200-A202 VanDerWaalsContact C-N 3.35Å; A202-V204 HydrophobicContact CB-CG1 4.44Å; A202-V204 PolarHBondContact O-N 2.88Å; A202-R461 WeakPolarHBondContact CA-O 3.37Å; A202-R461 HydrophobicContact CB-CB 3.99Å; A202-R461 HydrophobicContact CB-CG 4.15Å | ||
| 203 | V | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.5 | 172.2 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | F195 V196 I197 V224 I270 R461 L463 | F195-V203 HydrophobicContact CB-CG1 4.13Å; F195-V203 HydrophobicContact CB-CG2 4.29Å; F195-V203 HydrophobicContact CD1-CG1 3.8Å; F195-V203 HydrophobicContact CG-CG1 4.22Å; F195-V203 HydrophobicContact CG-CG2 4.37Å; V196-V203 WeakPolarHBondContact O-CA 3.4Å; I197-V203 HydrophobicContact CG1-CG2 4.28Å; V203-V224 HydrophobicContact CG1-CB 4.06Å; V203-V224 HydrophobicContact CG1-CG2 3.7Å; V203-I270 HydrophobicContact CG2-CD1 4.35Å; V203-R461 PolarHBondContact N-O 3.27Å; V203-L463 HydrophobicContact CB-CB 4.21Å; V203-L463 HydrophobicContact CG2-CB 3.93Å; V203-L463 HydrophobicContact CG2-CD2 4.29Å |
| 204 | V | 97.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 15.3 | -173.6 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | V196 D198 A202 A221 | V196-V204 HydrophobicContact CB-CG2 4.37Å; V196-V204 HydrophobicContact CG1-CG2 3.91Å; V196-V204 PolarHBondContact O-N 3.28Å; D198-V204 HydrophobicContact CB-CG1 4.09Å; D198-V204 HydrophobicContact CB-CG2 4.26Å; A202-V204 HydrophobicContact CB-CG1 4.44Å; A202-V204 PolarHBondContact O-N 2.88Å; V204-A221 CarbonylContact C-O 3.48Å; V204-A221 VanDerWaalsContact CA-O 3.28Å; V204-A221 WeakPolarHBondContact CA-O 3.36Å; V204-A221 PolarHBondContact O-N 2.9Å |
| 205 | G | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -171.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V196 I219 | V196-G205 PolarHBondContact N-O 3.49Å; G205-I219 CarbonylContact C-O 3.46Å; G205-I219 WeakPolarHBondContact CA-O 3.11Å |
| 206 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.9 | -179.4 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | V34 I36 A192 G194 V208 I219 | V34-V206 HydrophobicContact CB-CG1 4.41Å; V34-V206 HydrophobicContact CG1-CG1 3.66Å; I36-V206 HydrophobicContact CD1-CB 4.27Å; I36-V206 HydrophobicContact CD1-CG2 3.73Å; A192-V206 HydrophobicContact CB-CG2 3.89Å; G194-V206 WeakPolarHBondContact O-CA 3.45Å; G194-V206 WeakPolarHBondContact O-CG2 3.45Å; V206-V208 HydrophobicContact CB-CG1 4.45Å; V206-V208 HydrophobicContact CG1-CG1 3.77Å; V206-V208 HydrophobicContact CG2-CG1 3.96Å; V206-I219 HydrophobicContact CG1-CB 4.13Å; V206-I219 PolarHBondContact N-O 2.8Å; V206-I219 PolarHBondContact O-N 3.42Å |
| 207 | R | 98.7 | Very high | 95.9 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.9 | 164.8 | -70.6 | -176.9 | -65.6 | 120.1 | -4.2 | 109.5 | R193 G194 V196 E216 E217 V218 | R193-R207 PolarHBondContact N-O 2.83Å; G194-R207 PolarHBondContact O-N 2.76Å; V196-R207 HydrophobicContact CG2-CG 4.17Å; R207-E216 IonicContact CZ-OE2 3.78Å; R207-E216 IonicContact NH1-OE1 3.87Å; R207-E216 IonicContact NH1-OE2 2.74Å; R207-E216 PolarHBondContact NH1-OE2 2.95Å; R207-E217 CarbonylContact C-O 3.52Å; R207-E217 WeakPolarHBondContact CA-O 3.15Å; R207-V218 HydrophobicContact CG-CG2 3.95Å |
| 208 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.2 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | V59 T190 L191 V206 E216 E217 I219 | V59-V208 HydrophobicContact CG1-CG1 4.09Å; V59-V208 HydrophobicContact CG2-CG1 4.26Å; T190-V208 HydrophobicContact CG2-CB 3.71Å; T190-V208 HydrophobicContact CG2-CG1 4.49Å; T190-V208 HydrophobicContact CG2-CG2 3.71Å; L191-V208 CarbonylContact O-C 3.12Å; L191-V208 VanDerWaalsContact O-CA 3.24Å; L191-V208 WeakPolarHBondContact O-CA 3.29Å; V206-V208 HydrophobicContact CB-CG1 4.45Å; V206-V208 HydrophobicContact CG1-CG1 3.77Å; V206-V208 HydrophobicContact CG2-CG1 3.96Å; V208-E216 CarbonylContact O-C 3.56Å; V208-E216 VanDerWaalsContact O-CA 3.3Å; V208-E216 WeakPolarHBondContact O-CA 3.36Å; V208-E217 HydrophobicContact CG2-CG 3.27Å; V208-E217 WeakPolarHBondContact CG2-OE1 3.34Å; V208-E217 PolarHBondContact N-O 3.19Å; V208-E217 PolarHBondContact O-N 3.48Å; V208-I219 HydrophobicContact CG1-CD1 4.12Å; V208-I219 HydrophobicContact CG2-CD1 3.8Å; V208-I219 HydrophobicContact CG2-CG1 4.06Å |
| 209 | K | 98.2 | Very high | 96 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 99.4 | -179 | -179 | 52.6 | 169.1 | 165.3 | 0 | 109.5 | L191 R193 A213 P214 D215 E216 | L191-K209 PolarHBondContact N-O 3.25Å; L191-K209 PolarHBondContact O-N 3.45Å; R193-K209 HydrophobicContact CG-CB 3.99Å; K209-A213 PolarHBondContact NZ-O 3.48Å; K209-P214 PolarHBondContact NZ-O 2.6Å; K209-D215 WeakPolarHBondContact CD-O 3.45Å; K209-D215 PolarHBondContact NZ-O 2.81Å; K209-D215 VanDerWaalsContact NZ-O 3.14Å; K209-E216 HydrophobicContact CB-CG 4.32Å; K209-E216 HydrophobicContact CD-CG 4.44Å |
| 210 | S | 97.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 142.4 | 169.1 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | N189 S212 A213 | N189-S210 WeakPolarHBondContact O-CA 3.47Å; S210-S212 PolarHBondContact O-N 3.12Å; S210-S212 PolarHBondContact OG-N 3.2Å; S210-S212 PolarHBondContact OG-OG 2.89Å; S210-S212 VanDerWaalsContact OG-OG 3.12Å; S210-A213 PolarHBondContact O-N 3.3Å |
| 211 | A | 95.1 | Very high | 96.4 | Very high | 88 Ų | 88 | 51 Ų | 51 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N189 | N189-A211 HydrophobicContact CB-CB 4.02Å; N189-A211 PolarHBondContact O-N 3.31Å |
| 212 | S | 92.8 | Very high | 96.7 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 78% | 0.776 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -11 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | S210 | S210-S212 PolarHBondContact O-N 3.12Å; S210-S212 PolarHBondContact OG-N 3.2Å; S210-S212 PolarHBondContact OG-OG 2.89Å; S210-S212 VanDerWaalsContact OG-OG 3.12Å |
| 213 | A | 92.7 | Very high | 96.8 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | trans | -89.8 | 146.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K209 S210 | K209-A213 PolarHBondContact NZ-O 3.48Å; S210-A213 PolarHBondContact O-N 3.3Å | ||
| 214 | P | 91.4 | Very high | 96.9 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 74% | 0.74 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -75.3 | -35 | 175.7 | 28.5 | -33.4 | 0 | 0 | 0 | 112.8 | K209 | K209-P214 PolarHBondContact NZ-O 2.6Š|
| 215 | D | 95 | Very high | 96.9 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -115.9 | 175.3 | -176 | -60.9 | -56.3 | 0 | 0 | 0 | 112.3 | K209 | K209-D215 WeakPolarHBondContact CD-O 3.45Å; K209-D215 PolarHBondContact NZ-O 2.81Å; K209-D215 VanDerWaalsContact NZ-O 3.14Å |
| 216 | E | 97 | Very high | 97 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | trans | -78.2 | 144.6 | 165.6 | -67.1 | -172.1 | 177.8 | 0 | 0 | 109.8 | R193 R207 V208 K209 | R193-E216 WeakPolarHBondContact CG-OE1 3.39Å; R207-E216 IonicContact CZ-OE2 3.78Å; R207-E216 IonicContact NH1-OE1 3.87Å; R207-E216 IonicContact NH1-OE2 2.74Å; R207-E216 PolarHBondContact NH1-OE2 2.95Å; V208-E216 CarbonylContact O-C 3.56Å; V208-E216 VanDerWaalsContact O-CA 3.3Å; V208-E216 WeakPolarHBondContact O-CA 3.36Å; K209-E216 HydrophobicContact CB-CG 4.32Å; K209-E216 HydrophobicContact CD-CG 4.44Å | ||
| 217 | E | 97.1 | Very high | 97 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154.9 | 171.2 | 68 | 177.5 | 175.3 | 0 | 0 | 110.3 | R187 R207 V208 | R187-E217 IonicContact CZ-OE1 2.68Å; R187-E217 IonicContact NH1-OE1 3.72Å; R187-E217 PolarHBondContact NH1-OE1 3.37Å; R187-E217 IonicContact NH1-OE2 3.45Å; R187-E217 PolarHBondContact NH1-OE2 3.27Å; R187-E217 VanDerWaalsContact NH1-OE2 3.11Å; R207-E217 CarbonylContact C-O 3.52Å; R207-E217 WeakPolarHBondContact CA-O 3.15Å; V208-E217 HydrophobicContact CG2-CG 3.27Å; V208-E217 WeakPolarHBondContact CG2-OE1 3.34Å; V208-E217 PolarHBondContact N-O 3.19Å; V208-E217 PolarHBondContact O-N 3.48Å |
| 218 | V | 98.4 | Very high | 97 | Very high | 83 Ų | 83 | 48 Ų | 48 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.9 | 170.7 | 171.1 | 0 | 0 | 0 | 0 | 109 | V196 R207 | V196-V218 HydrophobicContact CG2-CG1 3.84Å; V196-V218 HydrophobicContact CG2-CG2 4.26Å; R207-V218 HydrophobicContact CG-CG2 3.95Å |
| 219 | I | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 104.5 | 165.7 | -51.8 | 178.2 | 0 | 0 | 0 | 107.2 | V34 T57 V59 G205 V206 V208 | V34-I219 HydrophobicContact CG2-CB 4.36Å; V34-I219 HydrophobicContact CG2-CG2 3.59Å; T57-I219 HydrophobicContact CG2-CD1 4.2Å; V59-I219 HydrophobicContact CG2-CD1 4Å; G205-I219 CarbonylContact C-O 3.46Å; G205-I219 WeakPolarHBondContact CA-O 3.11Å; V206-I219 HydrophobicContact CG1-CB 4.13Å; V206-I219 PolarHBondContact N-O 2.8Å; V206-I219 PolarHBondContact O-N 3.42Å; V208-I219 HydrophobicContact CG1-CD1 4.12Å; V208-I219 HydrophobicContact CG2-CD1 3.8Å; V208-I219 HydrophobicContact CG2-CG1 4.06Å |
| 220 | S | 98.2 | Very high | 97 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 142.1 | 170.9 | -57 | 0 | 0 | 0 | 0 | 110.1 | H32 | H32-S220 PolarHBondContact CE1-O 3.18Å; H32-S220 PolarHBondContact ND1-O 3.2Å |
| 221 | A | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | trans | -156.1 | 151.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V34 V204 A223 | V34-A221 HydrophobicContact CB-CB 4.14Å; V34-A221 HydrophobicContact CG2-CB 3.6Å; V204-A221 CarbonylContact C-O 3.48Å; V204-A221 VanDerWaalsContact CA-O 3.28Å; V204-A221 WeakPolarHBondContact CA-O 3.36Å; V204-A221 PolarHBondContact O-N 2.9Å; A221-A223 VanDerWaalsContact C-N 3.3Å | ||
| 222 | D | 96.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.3 | -23.7 | 173.1 | -64.1 | -74.1 | 0 | 0 | 0 | 112.9 | K31 H32 | K31-D222 VanDerWaalsContact CA-OD2 3.25Å; K31-D222 WeakPolarHBondContact CA-OD2 3.34Å; K31-D222 HydrophobicContact CB-CB 4.4Å; K31-D222 HydrophobicContact CD-CB 4.03Å; K31-D222 HydrophobicContact CG-CB 4.15Å; H32-D222 PolarHBondContact N-OD2 3.48Å; H32-D222 PolarHBondContact O-N 3.24Å |
| 223 | A | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 152.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V33 V34 A221 G462 Y464 A498 | V33-A223 WeakPolarHBondContact CA-O 3.49Å; V34-A223 PolarHBondContact N-O 2.89Å; A221-A223 VanDerWaalsContact C-N 3.3Å; A223-G462 CarbonylContact C-O 3.48Å; A223-G462 WeakPolarHBondContact CA-O 3.33Å; A223-Y464 HydrophobicContact CB-CD2 4.4Å; A223-Y464 HydrophobicContact CB-CE2 4.03Å; A223-A498 HydrophobicContact CB-CB 3.8Å |
| 224 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | V34 I36 F195 V203 G462 L463 Y464 | V34-V224 HydrophobicContact CB-CG2 4.42Å; V34-V224 CarbonylContact O-C 3.57Å; V34-V224 VanDerWaalsContact O-CA 3.3Å; V34-V224 WeakPolarHBondContact O-CA 3.47Å; I36-V224 HydrophobicContact CD1-CG1 3.58Å; I36-V224 HydrophobicContact CG1-CG1 4.06Å; F195-V224 HydrophobicContact CD1-CG1 4.28Å; F195-V224 HydrophobicContact CE1-CB 4.46Å; F195-V224 HydrophobicContact CE1-CG1 3.84Å; V203-V224 HydrophobicContact CG1-CB 4.06Å; V203-V224 HydrophobicContact CG1-CG2 3.7Å; V224-G462 PolarHBondContact N-O 3.44Å; V224-L463 HydrophobicContact CB-CD1 4.16Å; V224-L463 HydrophobicContact CG1-CD1 4.29Å; V224-Y464 PolarHBondContact O-N 3.08Å |
| 225 | V | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.9 | 172.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | V33 V34 V35 I36 A45 Y464 A494 A498 | V33-V225 HydrophobicContact CG1-CG2 4.02Å; V34-V225 PolarHBondContact O-N 2.98Å; V35-V225 HydrophobicContact CG1-CB 4.48Å; V35-V225 HydrophobicContact CG2-CB 4.25Å; V35-V225 HydrophobicContact CG2-CG2 4.48Å; I36-V225 PolarHBondContact N-O 3.2Å; A45-V225 HydrophobicContact CB-CG1 3.99Å; V225-Y464 WeakPolarHBondContact CA-O 3.43Å; V225-A494 HydrophobicContact CG1-CB 3.81Å; V225-A494 HydrophobicContact CG2-CB 4.39Å; V225-A498 HydrophobicContact CG2-CB 3.81Å |
| 226 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.3 | 168.1 | -74.1 | 176.5 | 0 | 0 | 0 | 110.4 | I36 F195 T228 M266 A267 L463 Y464 A465 A466 V469 | I36-L226 HydrophobicContact CB-CD2 4.37Å; I36-L226 HydrophobicContact CD1-CD2 4.01Å; F195-L226 HydrophobicContact CE1-CD2 4.13Å; F195-L226 HydrophobicContact CE1-CG 4.28Å; F195-L226 HydrophobicContact CE2-CD1 4.44Å; F195-L226 HydrophobicContact CZ-CD1 3.63Å; F195-L226 HydrophobicContact CZ-CD2 3.77Å; F195-L226 HydrophobicContact CZ-CG 3.82Å; L226-T228 HydrophobicContact CD2-CG2 4.28Å; L226-M266 HydrophobicContact CD2-CE 3.9Å; L226-A267 HydrophobicContact CD1-CB 3.98Å; L226-L463 HydrophobicContact CD1-CD1 4.33Å; L226-L463 HydrophobicContact CG-CD1 4.2Å; L226-Y464 PolarHBondContact N-O 3.31Å; L226-A465 HydrophobicContact CB-CB 4.09Å; L226-A465 CarbonylContact O-C 3.55Å; L226-A465 WeakPolarHBondContact O-CA 3.4Å; L226-A466 PolarHBondContact O-N 3.19Å; L226-V469 HydrophobicContact CB-CG1 4.16Å; L226-V469 HydrophobicContact CB-CG2 4.34Å; L226-V469 VanDerWaalsContact O-CG1 3.32Å; L226-V469 WeakPolarHBondContact O-CG1 3.38Å |
| 227 | A | 98.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -140.6 | 36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V35 I36 A41 G229 | V35-A227 HydrophobicContact CG1-CB 4.46Å; I36-A227 CarbonylContact O-C 3.23Å; I36-A227 VanDerWaalsContact O-CA 3.28Å; I36-A227 WeakPolarHBondContact O-CA 3.35Å; I36-A227 PolarHBondContact O-N 3.25Å; A41-A227 HydrophobicContact CB-CB 3.98Å; A227-G229 VanDerWaalsContact C-N 3.27Å; A227-G229 PolarHBondContact O-N 3.4Å | ||
| 228 | T | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | trans | -78.4 | -6.2 | -168.8 | 59.5 | 0 | 0 | 0 | 0 | 114.9 | I36 L226 G263 V469 | I36-T228 HydrophobicContact CB-CG2 4.33Å; I36-T228 HydrophobicContact CG2-CG2 3.74Å; I36-T228 PolarHBondContact O-N 2.98Å; L226-T228 HydrophobicContact CD2-CG2 4.28Å; T228-G263 VanDerWaalsContact OG1-CA 3.25Å; T228-G263 WeakPolarHBondContact OG1-CA 3.5Å; T228-G263 PolarHBondContact OG1-N 2.67Å; T228-V469 WeakPolarHBondContact OG1-CG2 3.49Å | ||
| 229 | G | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 33 Ų | 33 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | trans | 72.4 | -172.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A227 | A227-G229 VanDerWaalsContact C-N 3.27Å; A227-G229 PolarHBondContact O-N 3.4Å | ||
| 230 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -89.1 | -157.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A259 G261 T440 | G230-A259 CarbonylContact O-C 3.36Å; G230-A259 VanDerWaalsContact O-C 3.31Å; G230-G261 WeakPolarHBondContact O-CA 3.15Å; G230-G261 PolarHBondContact O-N 3.27Å; G230-T440 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 231 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -123.8 | 29.3 | -175.5 | 54 | -86.4 | 0 | 0 | 0 | 113.9 | N233 L240 L241 A259 M277 V280 T440 G442 | F231-N233 VanDerWaalsContact C-N 3.31Å; F231-N233 PolarHBondContact O-N 3.24Å; F231-L240 HydrophobicContact CB-CB 4.05Å; F231-L240 HydrophobicContact CB-CD1 4.01Å; F231-L240 HydrophobicContact CD1-CB 4.35Å; F231-L240 HydrophobicContact CD1-CD1 3.93Å; F231-L240 HydrophobicContact CD2-CB 3.54Å; F231-L240 HydrophobicContact CE2-CB 4.03Å; F231-L240 HydrophobicContact CG-CB 3.73Å; F231-L240 HydrophobicContact CG-CD1 3.93Å; F231-L240 HydrophobicContact CG-CG 4.49Å; F231-L241 HydrophobicContact CD2-CB 4.42Å; F231-A259 CarbonylContact C-O 3.33Å; F231-A259 VanDerWaalsContact CA-O 3.28Å; F231-A259 WeakPolarHBondContact CA-O 3.39Å; F231-M277 HydrophobicContact CD1-CE 4.23Å; F231-M277 HydrophobicContact CE1-CE 3.43Å; F231-M277 VanDerWaalsContact CE1-CE 3.43Å; F231-M277 HydrophobicContact CE1-SD 4.25Å; F231-M277 HydrophobicContact CE2-CE 4.38Å; F231-M277 HydrophobicContact CZ-CE 3.52Å; F231-M277 HydrophobicContact CZ-SD 4.44Å; F231-V280 HydrophobicContact CE2-CG2 4.05Å; F231-V280 HydrophobicContact CZ-CG2 4.49Å; F231-T440 HydrophobicContact CD1-CG2 3.86Å; F231-T440 HydrophobicContact CD2-CG2 3.69Å; F231-T440 HydrophobicContact CE1-CG2 3.81Å; F231-T440 HydrophobicContact CE2-CG2 3.65Å; F231-T440 HydrophobicContact CG-CG2 3.8Å; F231-T440 HydrophobicContact CZ-CG2 3.7Å; F231-T440 PolarHBondContact N-OG1 3.48Å; F231-G442 WeakPolarHBondContact CE1-O 3.31Å | ||
| 232 | S | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3.7 | -174.2 | -66.9 | 0 | 0 | 0 | 0 | 116.2 | T253 N255 A259 T440 E468 | S232-T253 WeakPolarHBondContact O-CB 3.38Å; S232-T253 PolarHBondContact O-OG1 3.44Å; S232-N255 VanDerWaalsContact CB-CG 3.44Å; S232-N255 VanDerWaalsContact CB-OD1 3.3Å; S232-N255 WeakPolarHBondContact CB-OD1 3.48Å; S232-A259 PolarHBondContact N-O 3.1Å; S232-T440 WeakPolarHBondContact OG-CG2 3.48Å; S232-E468 PolarHBondContact OG-OE1 2.87Å |
| 233 | N | 97.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | 37.4 | 179.9 | -161.4 | -0.8 | 0 | 0 | 0 | 113.1 | F231 H235 T253 N255 G256 A259 | F231-N233 VanDerWaalsContact C-N 3.31Å; F231-N233 PolarHBondContact O-N 3.24Å; N233-H235 PolarHBondContact OD1-CD2 2.72Å; N233-T253 HydrophobicContact CB-CG2 3.9Å; N233-T253 WeakPolarHBondContact OD1-CG2 3.26Å; N233-N255 HydrophobicContact CB-CB 4.13Å; N233-N255 PolarHBondContact ND2-O 3.12Å; N233-G256 VanDerWaalsContact CB-O 3.31Å; N233-G256 WeakPolarHBondContact CB-O 3.22Å; N233-G256 PolarHBondContact ND2-O 3.02Å; N233-A259 HydrophobicContact CB-CB 4.19Å; N233-A259 PolarHBondContact N-O 3.31Å |
| 234 | D | 97.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | trans | -112.6 | 99.3 | 165.2 | -175.6 | 1.6 | 0 | 0 | 0 | 108 | T236 S239 I260 K265 | D234-T236 WeakPolarHBondContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.25Å; D234-T236 PolarHBondContact OD1-N 3.44Å; D234-T236 PolarHBondContact OD1-OG1 3.23Å; D234-S239 WeakPolarHBondContact O-CB 3.26Å; D234-S239 PolarHBondContact O-OG 3.34Å; D234-S239 VanDerWaalsContact O-OG 3.06Å; D234-S239 WeakPolarHBondContact OD1-CB 3.36Å; D234-S239 WeakPolarHBondContact OD2-CA 3.44Å; D234-S239 WeakPolarHBondContact OD2-CB 2.89Å; D234-I260 HydrophobicContact CB-CB 3.99Å; D234-I260 HydrophobicContact CB-CG2 4.02Å; D234-K265 IonicContact OD2-NZ 3.98Å; D234-K265 PolarHBondContact OD2-NZ 3.38Å | ||
| 235 | H | 95.1 | Very high | 97.6 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | trans | -97.2 | 12.1 | -178.8 | -63.8 | -99.3 | 0 | 0 | 0 | 112.4 | N233 I249 Y251 | N233-H235 PolarHBondContact OD1-CD2 2.72Å; H235-I249 HydrophobicContact CB-CG1 4.4Å; H235-I249 PolarHBondContact CE1-O 3.42Å; H235-I249 PolarHBondContact ND1-O 2.69Å; H235-Y251 PolarHBondContact CE1-O 3.28Å | ||
| 236 | T | 95.9 | Very high | 97.5 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -75.2 | 165.7 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | D234 N238 S239 | D234-T236 WeakPolarHBondContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.25Å; D234-T236 PolarHBondContact OD1-N 3.44Å; D234-T236 PolarHBondContact OD1-OG1 3.23Å; T236-N238 VanDerWaalsContact C-N 3.26Å; T236-N238 PolarHBondContact O-N 3.35Å; T236-N238 PolarHBondContact OG1-OD1 3.45Å; T236-S239 VanDerWaalsContact O-CB 3.26Å; T236-S239 WeakPolarHBondContact O-CB 3.44Å; T236-S239 PolarHBondContact O-N 2.78Å; T236-S239 PolarHBondContact O-OG 3.21Å |
| 237 | N | 94.2 | Very high | 97.3 | Very high | 145 Ų | 145 | 47 Ų | 47 | 78% | 0.775 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.1 | -177.3 | -77.6 | -33.7 | 0 | 0 | 0 | 114.4 | ||
| 238 | N | 95 | Very high | 97.1 | Very high | 133 Ų | 133 | 48.5 Ų | 48.5 | 71% | 0.711 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 19.1 | 176.7 | 63.8 | -27.3 | 0 | 0 | 0 | 112.6 | T236 | T236-N238 VanDerWaalsContact C-N 3.26Å; T236-N238 PolarHBondContact O-N 3.35Å; T236-N238 PolarHBondContact OG1-OD1 3.45Å |
| 239 | S | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -76.2 | 153.2 | 177.3 | 65 | 0 | 0 | 0 | 0 | 112.7 | D234 T236 L241 K242 E243 | D234-S239 WeakPolarHBondContact O-CB 3.26Å; D234-S239 PolarHBondContact O-OG 3.34Å; D234-S239 VanDerWaalsContact O-OG 3.06Å; D234-S239 WeakPolarHBondContact OD1-CB 3.36Å; D234-S239 WeakPolarHBondContact OD2-CA 3.44Å; D234-S239 WeakPolarHBondContact OD2-CB 2.89Å; T236-S239 VanDerWaalsContact O-CB 3.26Å; T236-S239 WeakPolarHBondContact O-CB 3.44Å; T236-S239 PolarHBondContact O-N 2.78Å; T236-S239 PolarHBondContact O-OG 3.21Å; S239-L241 PolarHBondContact O-N 2.97Å; S239-K242 PolarHBondContact O-N 2.76Å; S239-K242 VanDerWaalsContact OG-CB 3.23Å; S239-K242 WeakPolarHBondContact OG-CB 3.48Å; S239-K242 PolarHBondContact OG-N 3.07Å; S239-E243 PolarHBondContact O-N 3.07Å |
| 240 | L | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 170.3 | -65.1 | 174.1 | 0 | 0 | 0 | 111.3 | F231 K242 E243 F244 V264 K265 M277 | F231-L240 HydrophobicContact CB-CB 4.05Å; F231-L240 HydrophobicContact CB-CD1 4.01Å; F231-L240 HydrophobicContact CD1-CB 4.35Å; F231-L240 HydrophobicContact CD1-CD1 3.93Å; F231-L240 HydrophobicContact CD2-CB 3.54Å; F231-L240 HydrophobicContact CE2-CB 4.03Å; F231-L240 HydrophobicContact CG-CB 3.73Å; F231-L240 HydrophobicContact CG-CD1 3.93Å; F231-L240 HydrophobicContact CG-CG 4.49Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.35Å; L240-E243 PolarHBondContact O-N 2.68Å; L240-F244 HydrophobicContact CB-CD2 4.35Å; L240-F244 HydrophobicContact CD2-CD2 4.27Å; L240-F244 HydrophobicContact CD2-CE2 3.84Å; L240-F244 WeakPolarHBondContact O-CD2 3.37Å; L240-F244 PolarHBondContact O-N 3.44Å; L240-V264 HydrophobicContact CD1-CB 3.82Å; L240-V264 HydrophobicContact CD1-CG1 3.72Å; L240-K265 HydrophobicContact CD1-CG 4.08Å; L240-K265 HydrophobicContact CD2-CG 4.35Å; L240-K265 HydrophobicContact CG-CG 4.22Å; L240-M277 HydrophobicContact CD1-CE 4.19Å; L240-M277 HydrophobicContact CD2-CE 4.46Å |
| 241 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.4 | -173.4 | 64 | 0 | 0 | 0 | 111 | F231 S239 A245 K246 I249 V280 I437 | F231-L241 HydrophobicContact CD2-CB 4.42Å; S239-L241 PolarHBondContact O-N 2.97Å; L241-A245 HydrophobicContact CD1-CB 4.04Å; L241-A245 CarbonylContact O-C 3.52Å; L241-A245 VanDerWaalsContact O-CA 3.31Å; L241-A245 WeakPolarHBondContact O-CA 3.21Å; L241-A245 PolarHBondContact O-N 3.31Å; L241-K246 PolarHBondContact O-N 2.79Å; L241-I249 HydrophobicContact CD2-CB 4.38Å; L241-I249 HydrophobicContact CD2-CG1 3.97Å; L241-I249 HydrophobicContact CG-CB 4.29Å; L241-I249 HydrophobicContact CG-CG1 4.14Å; L241-V280 HydrophobicContact CD1-CG1 4.09Å; L241-V280 HydrophobicContact CD1-CG2 4.06Å; L241-I437 HydrophobicContact CD1-CD1 4.18Å; L241-I437 HydrophobicContact CD2-CD1 3.58Å; L241-I437 HydrophobicContact CG-CD1 4.49Å |
| 242 | K | 97.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.1 | -172.5 | 67.7 | 176.7 | -165.1 | 0 | 112.5 | S239 L240 K246 I249 | S239-K242 PolarHBondContact O-N 2.76Å; S239-K242 VanDerWaalsContact OG-CB 3.23Å; S239-K242 WeakPolarHBondContact OG-CB 3.48Å; S239-K242 PolarHBondContact OG-N 3.07Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.35Å; K242-K246 HydrophobicContact CD-CG 4.31Å; K242-I249 HydrophobicContact CB-CD1 3.7Å; K242-I249 HydrophobicContact CD-CD1 3.54Å; K242-I249 HydrophobicContact CG-CD1 4.21Å |
| 243 | E | 98.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | -177.1 | -174.1 | 178 | 171.7 | 0 | 0 | 111.9 | S239 L240 R268 | S239-E243 PolarHBondContact O-N 3.07Å; L240-E243 PolarHBondContact O-N 2.68Å; E243-R268 IonicContact OE1-CZ 3.45Å; E243-R268 VanDerWaalsContact OE1-CZ 3.23Å; E243-R268 IonicContact OE1-NH1 3.69Å; E243-R268 PolarHBondContact OE1-NH1 3.3Å; E243-R268 IonicContact OE1-NH2 2.58Å; E243-R268 PolarHBondContact OE1-NH2 3.48Å; E243-R268 IonicContact OE2-CZ 3.24Å; E243-R268 IonicContact OE2-NH1 3.35Å; E243-R268 PolarHBondContact OE2-NH1 2.78Å |
| 244 | F | 98.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -108.1 | -22.1 | -169 | -64.4 | -76.8 | 0 | 0 | 0 | 115 | L240 M277 D278 | L240-F244 HydrophobicContact CB-CD2 4.35Å; L240-F244 HydrophobicContact CD2-CD2 4.27Å; L240-F244 HydrophobicContact CD2-CE2 3.84Å; L240-F244 WeakPolarHBondContact O-CD2 3.37Å; L240-F244 PolarHBondContact O-N 3.44Å; F244-M277 HydrophobicContact CB-CB 3.97Å; F244-M277 VanDerWaalsContact CB-O 3.24Å; F244-M277 WeakPolarHBondContact CB-O 3.36Å; F244-M277 HydrophobicContact CD1-CB 3.47Å; F244-M277 VanDerWaalsContact CD1-CB 3.47Å; F244-M277 HydrophobicContact CD1-CG 4.38Å; F244-M277 HydrophobicContact CD2-CB 3.91Å; F244-M277 HydrophobicContact CD2-CE 3.92Å; F244-M277 HydrophobicContact CE1-CB 3.86Å; F244-M277 HydrophobicContact CE1-CG 4.3Å; F244-M277 HydrophobicContact CE2-CB 4.27Å; F244-M277 HydrophobicContact CE2-CE 4.01Å; F244-M277 HydrophobicContact CE2-CG 4.46Å; F244-M277 HydrophobicContact CG-CB 3.5Å; F244-M277 HydrophobicContact CG-CG 4.5Å; F244-M277 HydrophobicContact CZ-CB 4.25Å; F244-M277 HydrophobicContact CZ-CG 4.34Å; F244-D278 WeakPolarHBondContact O-CA 3.37Å; F244-D278 WeakPolarHBondContact O-CB 3.44Å |
| 245 | A | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -139.9 | 48.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L241 D247 K248 I249 V280 | L241-A245 HydrophobicContact CD1-CB 4.04Å; L241-A245 CarbonylContact O-C 3.52Å; L241-A245 VanDerWaalsContact O-CA 3.31Å; L241-A245 WeakPolarHBondContact O-CA 3.21Å; L241-A245 PolarHBondContact O-N 3.31Å; A245-D247 PolarHBondContact O-N 3.21Å; A245-D247 VanDerWaalsContact O-N 3.11Å; A245-K248 HydrophobicContact CB-CD 4.32Å; A245-K248 PolarHBondContact O-N 3.04Å; A245-I249 PolarHBondContact O-N 2.87Å; A245-V280 HydrophobicContact CB-CB 4.18Å; A245-V280 HydrophobicContact CB-CG2 3.6Å | ||
| 246 | K | 96.6 | Very high | 96.7 | Very high | 144 Ų | 144 | 51.5 Ų | 51.5 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -31.8 | -177.6 | -178.1 | -179.8 | 172.1 | -173.7 | 0 | 113.5 | L241 K242 K248 I249 | L241-K246 PolarHBondContact O-N 2.79Å; K242-K246 HydrophobicContact CD-CG 4.31Å; K246-K248 PolarHBondContact O-N 3.09Å; K246-I249 VanDerWaalsContact O-CG2 3.28Å; K246-I249 WeakPolarHBondContact O-CG2 3.45Å |
| 247 | D | 95.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25 | 176.9 | 61.7 | -52.2 | 0 | 0 | 0 | 113 | A245 | A245-D247 PolarHBondContact O-N 3.21Å; A245-D247 VanDerWaalsContact O-N 3.11Å |
| 248 | K | 95.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -13.5 | -177.1 | -64.4 | 169.4 | -169 | 70.4 | 0 | 113.6 | A245 K246 A250 Y251 V280 I437 | A245-K248 HydrophobicContact CB-CD 4.32Å; A245-K248 PolarHBondContact O-N 3.04Å; K246-K248 PolarHBondContact O-N 3.09Å; K248-A250 PolarHBondContact O-N 3.4Å; K248-Y251 HydrophobicContact CB-CD2 4.49Å; K248-Y251 WeakPolarHBondContact O-CB 3.49Å; K248-Y251 WeakPolarHBondContact O-CD2 3.36Å; K248-Y251 PolarHBondContact O-N 3.03Å; K248-V280 HydrophobicContact CD-CB 3.69Å; K248-V280 HydrophobicContact CD-CG1 4.05Å; K248-V280 WeakPolarHBondContact CD-O 3.41Å; K248-V280 VanDerWaalsContact CE-O 3.23Å; K248-V280 WeakPolarHBondContact CE-O 3.28Å; K248-I437 WeakPolarHBondContact O-CD1 3.46Å |
| 249 | I | 94.5 | Very high | 97 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.1 | -172.8 | -159.9 | 174.2 | 0 | 0 | 0 | 114.4 | H235 L241 K242 A245 K246 Y251 | H235-I249 HydrophobicContact CB-CG1 4.4Å; H235-I249 PolarHBondContact CE1-O 3.42Å; H235-I249 PolarHBondContact ND1-O 2.69Å; L241-I249 HydrophobicContact CD2-CB 4.38Å; L241-I249 HydrophobicContact CD2-CG1 3.97Å; L241-I249 HydrophobicContact CG-CB 4.29Å; L241-I249 HydrophobicContact CG-CG1 4.14Å; K242-I249 HydrophobicContact CB-CD1 3.7Å; K242-I249 HydrophobicContact CD-CD1 3.54Å; K242-I249 HydrophobicContact CG-CD1 4.21Å; A245-I249 PolarHBondContact O-N 2.87Å; K246-I249 VanDerWaalsContact O-CG2 3.28Å; K246-I249 WeakPolarHBondContact O-CG2 3.45Å; I249-Y251 VanDerWaalsContact C-N 3.33Å |
| 250 | A | 92.9 | Very high | 97 | Very high | 90 Ų | 90 | 45 Ų | 45 | 74% | 0.744 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K248 | K248-A250 PolarHBondContact O-N 3.4Š|
| 251 | Y | 96.4 | Very high | 97 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -73.5 | 142.8 | 179.4 | -74.3 | -104.1 | 0 | 0 | 0 | 110.3 | H235 K248 I249 L282 E335 P435 | H235-Y251 PolarHBondContact CE1-O 3.28Å; K248-Y251 HydrophobicContact CB-CD2 4.49Å; K248-Y251 WeakPolarHBondContact O-CB 3.49Å; K248-Y251 WeakPolarHBondContact O-CD2 3.36Å; K248-Y251 PolarHBondContact O-N 3.03Å; I249-Y251 VanDerWaalsContact C-N 3.33Å; Y251-L282 HydrophobicContact CD1-CD1 3.84Å; Y251-L282 HydrophobicContact CD1-CD2 4.03Å; Y251-L282 HydrophobicContact CD2-CD1 4.33Å; Y251-L282 HydrophobicContact CD2-CD2 4.43Å; Y251-L282 HydrophobicContact CE1-CD1 3.61Å; Y251-L282 HydrophobicContact CE2-CD1 4.14Å; Y251-L282 HydrophobicContact CG-CD1 4.18Å; Y251-L282 HydrophobicContact CG-CD2 3.9Å; Y251-E335 PolarHBondContact OH-OE1 3.4Å; Y251-P435 HydrophobicContact CD1-CB 4.06Å; Y251-P435 HydrophobicContact CE1-CB 3.95Å |
| 252 | P | 97.2 | Very high | 97 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -62.4 | 162.4 | 168.5 | 25.8 | -32 | 0 | 0 | 0 | 110.9 | G296 K298 T434 V436 I437 | P252-G296 CarbonylContact C-O 3.43Å; P252-G296 VanDerWaalsContact CA-O 3.25Å; P252-G296 WeakPolarHBondContact CA-O 3.43Å; P252-G296 WeakPolarHBondContact CB-O 3.37Å; P252-K298 HydrophobicContact CB-CD 3.78Å; P252-K298 HydrophobicContact CB-CG 3.99Å; P252-K298 HydrophobicContact CG-CD 3.83Å; P252-T434 HydrophobicContact CG-CG2 4.24Å; P252-V436 HydrophobicContact CB-CG1 4.17Å; P252-V436 HydrophobicContact CG-CG1 3.84Å; P252-V436 CarbonylContact O-C 3.59Å; P252-V436 WeakPolarHBondContact O-CA 3.41Å; P252-V436 WeakPolarHBondContact O-CB 3.26Å; P252-I437 PolarHBondContact O-N 2.68Å | ||
| 253 | T | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 160.9 | -177.5 | -171.9 | 0 | 0 | 0 | 0 | 112 | S232 N233 N255 G296 T297 K298 I437 | S232-T253 WeakPolarHBondContact O-CB 3.38Å; S232-T253 PolarHBondContact O-OG1 3.44Å; N233-T253 HydrophobicContact CB-CG2 3.9Å; N233-T253 WeakPolarHBondContact OD1-CG2 3.26Å; T253-N255 PolarHBondContact OG1-N 3.26Å; T253-G296 PolarHBondContact N-O 3.41Å; T253-T297 CarbonylContact O-C 3.53Å; T253-T297 VanDerWaalsContact O-CA 3.27Å; T253-T297 WeakPolarHBondContact O-CA 3.24Å; T253-K298 PolarHBondContact O-N 3.37Å; T253-I437 WeakPolarHBondContact CA-O 3.44Å; T253-I437 PolarHBondContact OG1-O 3.47Å |
| 254 | T | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.086 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -103.7 | -3.6 | 171.2 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | K298 L300 V436 I437 H438 | T254-K298 WeakPolarHBondContact CA-O 3.43Å; T254-K298 WeakPolarHBondContact CG2-O 3.45Å; T254-L300 HydrophobicContact CG2-CB 3.98Å; T254-L300 HydrophobicContact CG2-CD1 4.1Å; T254-V436 HydrophobicContact CG2-CB 4.05Å; T254-V436 HydrophobicContact CG2-CG1 4.4Å; T254-V436 HydrophobicContact CG2-CG2 3.53Å; T254-I437 PolarHBondContact N-O 3.44Å; T254-I437 PolarHBondContact OG1-O 2.96Å; T254-H438 PolarHBondContact OG1-ND1 2.87Å |
| 255 | N | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -86 | 154 | -171.5 | -79.9 | -128.2 | 0 | 0 | 0 | 111.3 | N68 S232 N233 T253 A259 H438 | N68-N255 PolarHBondContact ND2-OD1 2.71Å; N68-N255 WeakPolarHBondContact OD1-CA 3.35Å; S232-N255 VanDerWaalsContact CB-CG 3.44Å; S232-N255 VanDerWaalsContact CB-OD1 3.3Å; S232-N255 WeakPolarHBondContact CB-OD1 3.48Å; N233-N255 HydrophobicContact CB-CB 4.13Å; N233-N255 PolarHBondContact ND2-O 3.12Å; T253-N255 PolarHBondContact OG1-N 3.26Å; N255-A259 HydrophobicContact CB-CB 3.95Å; N255-H438 PolarHBondContact ND2-O 3.25Å |
| 256 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -67.5 | 158.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | N68 N233 F258 A259 | N68-G256 PolarHBondContact OD1-N 3.2Å; N233-G256 VanDerWaalsContact CB-O 3.31Å; N233-G256 WeakPolarHBondContact CB-O 3.22Å; N233-G256 PolarHBondContact ND2-O 3.02Å; G256-F258 PolarHBondContact O-N 2.68Å; G256-F258 VanDerWaalsContact O-N 3.08Å; G256-A259 WeakPolarHBondContact O-CB 3.2Å; G256-A259 PolarHBondContact O-N 3.45Å | ||
| 257 | P | 96.5 | Very high | 97.3 | Very high | 92 Ų | 92 | 33.1 Ų | 33.1 | 60% | 0.597 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -14.6 | -178.4 | 28.1 | -36.3 | 0 | 0 | 0 | 113.3 | A259 I260 | P257-A259 VanDerWaalsContact C-N 3.3Å; P257-I260 WeakPolarHBondContact O-CG2 3.25Å |
| 258 | F | 97.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 33 Ų | 33 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12 | 173.9 | 49.2 | -105.6 | 0 | 0 | 0 | 114.1 | E62 G256 I260 | E62-F258 HydrophobicContact CG-CB 3.94Å; E62-F258 HydrophobicContact CG-CD1 3.61Å; E62-F258 HydrophobicContact CG-CE1 4.4Å; E62-F258 HydrophobicContact CG-CG 3.95Å; G256-F258 PolarHBondContact O-N 2.68Å; G256-F258 VanDerWaalsContact O-N 3.08Å; F258-I260 PolarHBondContact O-N 3.42Å |
| 259 | A | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -78.6 | 64.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G230 F231 S232 N233 N255 G256 P257 | G230-A259 CarbonylContact O-C 3.36Å; G230-A259 VanDerWaalsContact O-C 3.31Å; F231-A259 CarbonylContact C-O 3.33Å; F231-A259 VanDerWaalsContact CA-O 3.28Å; F231-A259 WeakPolarHBondContact CA-O 3.39Å; S232-A259 PolarHBondContact N-O 3.1Å; N233-A259 HydrophobicContact CB-CB 4.19Å; N233-A259 PolarHBondContact N-O 3.31Å; N255-A259 HydrophobicContact CB-CB 3.95Å; G256-A259 WeakPolarHBondContact O-CB 3.2Å; G256-A259 PolarHBondContact O-N 3.45Å; P257-A259 VanDerWaalsContact C-N 3.3Å | ||
| 260 | I | 98 | Very high | 97.6 | Very high | 67 Ų | 67 | 36 Ų | 36 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -108.8 | 8 | -170 | 66.4 | 169.7 | 0 | 0 | 0 | 114.6 | D234 P257 F258 S262 K265 | D234-I260 HydrophobicContact CB-CB 3.99Å; D234-I260 HydrophobicContact CB-CG2 4.02Å; P257-I260 WeakPolarHBondContact O-CG2 3.25Å; F258-I260 PolarHBondContact O-N 3.42Å; I260-S262 PolarHBondContact O-N 2.89Å; I260-K265 WeakPolarHBondContact O-CE 3.5Å; I260-K265 PolarHBondContact O-NZ 3.07Å |
| 261 | G | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | 66.9 | 32.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G230 G263 V264 K265 | G230-G261 WeakPolarHBondContact O-CA 3.15Å; G230-G261 PolarHBondContact O-N 3.27Å; G261-G263 PolarHBondContact O-N 2.93Å; G261-V264 PolarHBondContact O-N 3.27Å; G261-K265 WeakPolarHBondContact O-CB 3.44Å; G261-K265 VanDerWaalsContact O-CG 3.28Å; G261-K265 WeakPolarHBondContact O-CG 3.27Å; G261-K265 PolarHBondContact O-N 2.9Å | ||
| 262 | S | 98.2 | Very high | 97.9 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59 | -46.4 | -178.1 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | I260 K265 M266 | I260-S262 PolarHBondContact O-N 2.89Å; S262-K265 PolarHBondContact O-N 3.47Å; S262-M266 WeakPolarHBondContact O-CG 3.36Å; S262-M266 PolarHBondContact O-N 2.93Å |
| 263 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T228 G261 M266 A267 | T228-G263 VanDerWaalsContact OG1-CA 3.25Å; T228-G263 WeakPolarHBondContact OG1-CA 3.5Å; T228-G263 PolarHBondContact OG1-N 2.67Å; G261-G263 PolarHBondContact O-N 2.93Å; G263-M266 PolarHBondContact O-N 3.46Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.38Å |
| 264 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | L240 G261 A267 R268 L274 M277 V469 | L240-V264 HydrophobicContact CD1-CB 3.82Å; L240-V264 HydrophobicContact CD1-CG1 3.72Å; G261-V264 PolarHBondContact O-N 3.27Å; V264-A267 PolarHBondContact O-N 2.89Å; V264-R268 VanDerWaalsContact O-CB 3.29Å; V264-R268 WeakPolarHBondContact O-CB 3.31Å; V264-R268 PolarHBondContact O-N 3.49Å; V264-L274 HydrophobicContact CG1-CD1 4.03Å; V264-L274 HydrophobicContact CG1-CD2 3.8Å; V264-M277 HydrophobicContact CG1-CE 3.86Å; V264-M277 HydrophobicContact CG1-SD 4.29Å; V264-V469 HydrophobicContact CG2-CG2 3.98Å |
| 265 | K | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 35 Ų | 35 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.6 | -71.7 | 168.1 | -179.2 | 165.5 | 0 | 111.5 | D234 L240 I260 G261 S262 A269 | D234-K265 IonicContact OD2-NZ 3.98Å; D234-K265 PolarHBondContact OD2-NZ 3.38Å; L240-K265 HydrophobicContact CD1-CG 4.08Å; L240-K265 HydrophobicContact CD2-CG 4.35Å; L240-K265 HydrophobicContact CG-CG 4.22Å; I260-K265 WeakPolarHBondContact O-CE 3.5Å; I260-K265 PolarHBondContact O-NZ 3.07Å; G261-K265 WeakPolarHBondContact O-CB 3.44Å; G261-K265 VanDerWaalsContact O-CG 3.28Å; G261-K265 WeakPolarHBondContact O-CG 3.27Å; G261-K265 PolarHBondContact O-N 2.9Å; S262-K265 PolarHBondContact O-N 3.47Å; K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3Å; K265-A269 VanDerWaalsContact O-N 3.08Å |
| 266 | M | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.9 | -72.7 | -170.4 | -58 | 0 | 0 | 112.4 | I36 A192 G194 F195 L226 S262 G263 A269 | I36-M266 HydrophobicContact CD1-CE 4.41Å; A192-M266 HydrophobicContact CB-CE 3.86Å; A192-M266 HydrophobicContact CB-SD 3.95Å; G194-M266 PolarHBondContact N-SD 2.68Å; F195-M266 HydrophobicContact CE2-CB 3.99Å; F195-M266 HydrophobicContact CZ-CB 4.44Å; L226-M266 HydrophobicContact CD2-CE 3.9Å; S262-M266 WeakPolarHBondContact O-CG 3.36Å; S262-M266 PolarHBondContact O-N 2.93Å; G263-M266 PolarHBondContact O-N 3.46Å; M266-A269 PolarHBondContact O-N 3.31Å |
| 267 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L226 G263 V264 A269 I270 G271 A272 V444 | L226-A267 HydrophobicContact CD1-CB 3.98Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.38Å; V264-A267 PolarHBondContact O-N 2.89Å; A267-A269 VanDerWaalsContact C-N 3.26Å; A267-A269 PolarHBondContact O-N 3.15Å; A267-I270 WeakPolarHBondContact O-CG1 3.42Å; A267-I270 PolarHBondContact O-N 3.25Å; A267-I270 VanDerWaalsContact O-N 3.17Å; A267-G271 PolarHBondContact O-N 3.4Å; A267-A272 HydrophobicContact CB-CB 3.72Å; A267-A272 WeakPolarHBondContact O-CB 3.49Å; A267-A272 PolarHBondContact O-N 2.97Å; A267-V444 HydrophobicContact CB-CG1 4.25Å; A267-V444 HydrophobicContact CB-CG2 3.48Å; A267-V444 VanDerWaalsContact CB-CG2 3.48Å |
| 268 | R | 98.2 | Very high | 98.2 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.5 | -41.4 | 174.9 | -173 | -174.2 | 179.4 | 175.6 | 3 | 111.9 | E243 V264 I270 G271 L274 | E243-R268 IonicContact OE1-CZ 3.45Å; E243-R268 VanDerWaalsContact OE1-CZ 3.23Å; E243-R268 IonicContact OE1-NH1 3.69Å; E243-R268 PolarHBondContact OE1-NH1 3.3Å; E243-R268 IonicContact OE1-NH2 2.58Å; E243-R268 PolarHBondContact OE1-NH2 3.48Å; E243-R268 IonicContact OE2-CZ 3.24Å; E243-R268 IonicContact OE2-NH1 3.35Å; E243-R268 PolarHBondContact OE2-NH1 2.78Å; V264-R268 VanDerWaalsContact O-CB 3.29Å; V264-R268 WeakPolarHBondContact O-CB 3.31Å; V264-R268 PolarHBondContact O-N 3.49Å; R268-I270 PolarHBondContact O-N 3.32Å; R268-G271 PolarHBondContact O-N 3.01Å; R268-L274 HydrophobicContact CB-CD1 4.07Å; R268-L274 HydrophobicContact CG-CD1 3.97Å |
| 269 | A | 97.5 | Very high | 98.2 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 70% | 0.702 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.6 | -23 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K265 M266 A267 | K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3Å; K265-A269 VanDerWaalsContact O-N 3.08Å; M266-A269 PolarHBondContact O-N 3.31Å; A267-A269 VanDerWaalsContact C-N 3.26Å; A267-A269 PolarHBondContact O-N 3.15Å |
| 270 | I | 96.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.5 | 176.6 | 67.3 | 160 | 0 | 0 | 0 | 113 | F195 I197 V203 A267 R268 F460 L463 | F195-I270 HydrophobicContact CD2-CD1 3.6Å; F195-I270 HydrophobicContact CD2-CG1 4.13Å; F195-I270 HydrophobicContact CD2-CG2 4.04Å; F195-I270 HydrophobicContact CE2-CD1 3.96Å; F195-I270 HydrophobicContact CE2-CG1 4.39Å; F195-I270 HydrophobicContact CG-CD1 4.39Å; I197-I270 HydrophobicContact CD1-CB 3.96Å; I197-I270 HydrophobicContact CD1-CD1 4.21Å; I197-I270 HydrophobicContact CD1-CG2 3.76Å; V203-I270 HydrophobicContact CG2-CD1 4.35Å; A267-I270 WeakPolarHBondContact O-CG1 3.42Å; A267-I270 PolarHBondContact O-N 3.25Å; A267-I270 VanDerWaalsContact O-N 3.17Å; R268-I270 PolarHBondContact O-N 3.32Å; I270-F460 HydrophobicContact CD1-CD1 3.91Å; I270-F460 HydrophobicContact CD1-CE1 3.71Å; I270-F460 HydrophobicContact CD1-CG 4.44Å; I270-F460 HydrophobicContact CD1-CZ 4.04Å; I270-F460 HydrophobicContact CG1-CE1 4.12Å; I270-F460 HydrophobicContact CG1-CZ 4.07Å; I270-F460 WeakPolarHBondContact O-CZ 3.49Å; I270-L463 HydrophobicContact CD1-CD2 3.85Å |
| 271 | G | 96.9 | Very high | 98.2 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 20.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A267 R268 | A267-G271 PolarHBondContact O-N 3.4Å; R268-G271 PolarHBondContact O-N 3.01Å |
| 272 | A | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 138.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A267 V444 V452 L453 F460 | A267-A272 HydrophobicContact CB-CB 3.72Å; A267-A272 WeakPolarHBondContact O-CB 3.49Å; A267-A272 PolarHBondContact O-N 2.97Å; A272-V444 HydrophobicContact CB-CG1 4.26Å; A272-V452 HydrophobicContact CB-CG1 3.65Å; A272-L453 WeakPolarHBondContact CA-O 3.45Å; A272-F460 HydrophobicContact CB-CE2 3.99Å |
| 273 | S | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 19% | 0.189 | 18% | 0.179 | C | C | . | . | trans | -68.9 | 138.4 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | A445 L453 N455 | S273-A445 PolarHBondContact O-N 3.02Å; S273-L453 PolarHBondContact N-O 3.35Å; S273-N455 VanDerWaalsContact CA-OD1 3.31Å; S273-N455 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 274 | L | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.2 | 175.9 | -57.4 | -173.3 | 0 | 0 | 0 | 109.2 | V264 R268 M277 G443 V444 | V264-L274 HydrophobicContact CG1-CD1 4.03Å; V264-L274 HydrophobicContact CG1-CD2 3.8Å; R268-L274 HydrophobicContact CB-CD1 4.07Å; R268-L274 HydrophobicContact CG-CD1 3.97Å; L274-M277 HydrophobicContact CB-CG 3.73Å; L274-M277 HydrophobicContact CB-SD 3.92Å; L274-M277 HydrophobicContact CD1-CE 4.29Å; L274-M277 HydrophobicContact CD1-CG 4.21Å; L274-M277 HydrophobicContact CD1-SD 4.06Å; L274-M277 HydrophobicContact CG-SD 4.43Å; L274-G443 WeakPolarHBondContact CA-O 3.02Å; L274-V444 HydrophobicContact CD2-CG2 4.2Å |
| 275 | I | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.3 | -179.9 | 55.5 | 174.1 | 0 | 0 | 0 | 110.3 | M277 G442 G443 A445 G471 | I275-M277 PolarHBondContact O-N 2.99Å; I275-G442 CarbonylContact O-C 3.49Å; I275-G442 WeakPolarHBondContact O-CA 3.17Å; I275-G443 PolarHBondContact N-O 2.78Å; I275-G443 PolarHBondContact O-N 2.89Å; I275-A445 HydrophobicContact CD1-CB 4.19Å; I275-A445 HydrophobicContact CG1-CB 4.21Å; I275-A445 HydrophobicContact CG2-CB 4.05Å; I275-G471 VanDerWaalsContact CD1-C 3.45Å |
| 276 | D | 98 | Very high | 98.2 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | trans | 53.6 | 26.2 | 172.7 | -59.9 | -36.8 | 0 | 0 | 0 | 115.2 | D278 K279 G442 | D276-D278 PolarHBondContact O-N 2.77Å; D276-K279 HydrophobicContact CB-CB 4.13Å; D276-K279 HydrophobicContact CB-CG 3.69Å; D276-K279 WeakPolarHBondContact O-CA 3.25Å; D276-K279 VanDerWaalsContact O-CB 3.23Å; D276-K279 WeakPolarHBondContact O-CB 3.2Å; D276-K279 WeakPolarHBondContact O-CG 3.42Å; D276-K279 PolarHBondContact O-N 3.23Å; D276-G442 VanDerWaalsContact C-CA 3.42Å; D276-G442 WeakPolarHBondContact O-CA 3.31Å; D276-G442 PolarHBondContact O-N 2.74Å | ||
| 277 | M | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.054 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.1 | -171.7 | -68.1 | -58 | -59.4 | 0 | 0 | 113.9 | F231 L240 F244 V264 L274 I275 K279 G443 | F231-M277 HydrophobicContact CD1-CE 4.23Å; F231-M277 HydrophobicContact CE1-CE 3.43Å; F231-M277 VanDerWaalsContact CE1-CE 3.43Å; F231-M277 HydrophobicContact CE1-SD 4.25Å; F231-M277 HydrophobicContact CE2-CE 4.38Å; F231-M277 HydrophobicContact CZ-CE 3.52Å; F231-M277 HydrophobicContact CZ-SD 4.44Å; L240-M277 HydrophobicContact CD1-CE 4.19Å; L240-M277 HydrophobicContact CD2-CE 4.46Å; F244-M277 HydrophobicContact CB-CB 3.97Å; F244-M277 VanDerWaalsContact CB-O 3.24Å; F244-M277 WeakPolarHBondContact CB-O 3.36Å; F244-M277 HydrophobicContact CD1-CB 3.47Å; F244-M277 VanDerWaalsContact CD1-CB 3.47Å; F244-M277 HydrophobicContact CD1-CG 4.38Å; F244-M277 HydrophobicContact CD2-CB 3.91Å; F244-M277 HydrophobicContact CD2-CE 3.92Å; F244-M277 HydrophobicContact CE1-CB 3.86Å; F244-M277 HydrophobicContact CE1-CG 4.3Å; F244-M277 HydrophobicContact CE2-CB 4.27Å; F244-M277 HydrophobicContact CE2-CE 4.01Å; F244-M277 HydrophobicContact CE2-CG 4.46Å; F244-M277 HydrophobicContact CG-CB 3.5Å; F244-M277 HydrophobicContact CG-CG 4.5Å; F244-M277 HydrophobicContact CZ-CB 4.25Å; F244-M277 HydrophobicContact CZ-CG 4.34Å; V264-M277 HydrophobicContact CG1-CE 3.86Å; V264-M277 HydrophobicContact CG1-SD 4.29Å; L274-M277 HydrophobicContact CB-CG 3.73Å; L274-M277 HydrophobicContact CB-SD 3.92Å; L274-M277 HydrophobicContact CD1-CE 4.29Å; L274-M277 HydrophobicContact CD1-CG 4.21Å; L274-M277 HydrophobicContact CD1-SD 4.06Å; L274-M277 HydrophobicContact CG-SD 4.43Å; I275-M277 PolarHBondContact O-N 2.99Å; M277-K279 VanDerWaalsContact C-N 3.33Å; M277-G443 PolarHBondContact SD-N 2.9Å |
| 278 | D | 98 | Very high | 98.1 | Very high | 73 Ų | 73 | 29 Ų | 29 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.1 | 175.4 | 71.1 | -41.1 | 0 | 0 | 0 | 113.3 | F244 D276 V280 | F244-D278 WeakPolarHBondContact O-CA 3.37Å; F244-D278 WeakPolarHBondContact O-CB 3.44Å; D276-D278 PolarHBondContact O-N 2.77Å; D278-V280 PolarHBondContact O-N 3.45Å; D278-V280 VanDerWaalsContact O-N 3.11Å |
| 279 | K | 98 | Very high | 98.1 | Very high | 54 Ų | 54 | 25.7 Ų | 25.7 | 24% | 0.235 | 16% | 0.155 | C | C | . | . | trans | -84.8 | 85.7 | 179.9 | -49.9 | -50.2 | 178.4 | -145.2 | 0 | 110.2 | D276 M277 M441 | D276-K279 HydrophobicContact CB-CB 4.13Å; D276-K279 HydrophobicContact CB-CG 3.69Å; D276-K279 WeakPolarHBondContact O-CA 3.25Å; D276-K279 VanDerWaalsContact O-CB 3.23Å; D276-K279 WeakPolarHBondContact O-CB 3.2Å; D276-K279 WeakPolarHBondContact O-CG 3.42Å; D276-K279 PolarHBondContact O-N 3.23Å; M277-K279 VanDerWaalsContact C-N 3.33Å; K279-M441 VanDerWaalsContact C-CE 3.49Å; K279-M441 HydrophobicContact CB-CB 4.04Å; K279-M441 HydrophobicContact CB-CE 3.79Å; K279-M441 VanDerWaalsContact O-CE 3.3Å; K279-M441 WeakPolarHBondContact O-CE 3.43Å; K279-M441 PolarHBondContact O-N 3.44Å | ||
| 280 | V | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.6 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | F231 L241 A245 K248 D278 I437 T440 | F231-V280 HydrophobicContact CE2-CG2 4.05Å; F231-V280 HydrophobicContact CZ-CG2 4.49Å; L241-V280 HydrophobicContact CD1-CG1 4.09Å; L241-V280 HydrophobicContact CD1-CG2 4.06Å; A245-V280 HydrophobicContact CB-CB 4.18Å; A245-V280 HydrophobicContact CB-CG2 3.6Å; K248-V280 HydrophobicContact CD-CB 3.69Å; K248-V280 HydrophobicContact CD-CG1 4.05Å; K248-V280 WeakPolarHBondContact CD-O 3.41Å; K248-V280 VanDerWaalsContact CE-O 3.23Å; K248-V280 WeakPolarHBondContact CE-O 3.28Å; D278-V280 PolarHBondContact O-N 3.45Å; D278-V280 VanDerWaalsContact O-N 3.11Å; V280-I437 HydrophobicContact CG1-CG2 3.62Å; V280-T440 HydrophobicContact CG1-CG2 4.41Å; V280-T440 HydrophobicContact CG2-CG2 4Å |
| 281 | Q | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.5 | -179.4 | 171.7 | 173.6 | 91.2 | 0 | 0 | 111.3 | R327 H438 Y439 M441 N477 R478 | Q281-R327 VanDerWaalsContact CD-CD 3.45Å; Q281-R327 VanDerWaalsContact NE2-CD 3.33Å; Q281-H438 PolarHBondContact O-N 2.89Å; Q281-Y439 PolarHBondContact N-O 3.29Å; Q281-M441 HydrophobicContact CB-CE 3.79Å; Q281-M441 HydrophobicContact CB-SD 3.43Å; Q281-M441 WeakPolarHBondContact CB-SD 3.33Å; Q281-N477 PolarHBondContact NE2-OD1 2.83Å; Q281-R478 PolarHBondContact NE2-O 2.81Å |
| 282 | L | 98.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.8 | 159.6 | -59.9 | -178.6 | 0 | 0 | 0 | 109 | Y251 T331 V436 I437 | Y251-L282 HydrophobicContact CD1-CD1 3.84Å; Y251-L282 HydrophobicContact CD1-CD2 4.03Å; Y251-L282 HydrophobicContact CD2-CD1 4.33Å; Y251-L282 HydrophobicContact CD2-CD2 4.43Å; Y251-L282 HydrophobicContact CE1-CD1 3.61Å; Y251-L282 HydrophobicContact CE2-CD1 4.14Å; Y251-L282 HydrophobicContact CG-CD1 4.18Å; Y251-L282 HydrophobicContact CG-CD2 3.9Å; L282-T331 HydrophobicContact CB-CG2 3.85Å; L282-T331 HydrophobicContact CD1-CG2 3.87Å; L282-T331 PolarHBondContact O-OG1 3.03Å; L282-V436 CarbonylContact C-O 3.51Å; L282-V436 VanDerWaalsContact CA-O 3.27Å; L282-V436 WeakPolarHBondContact CA-O 3.39Å; L282-I437 HydrophobicContact CD2-CB 4.42Å; L282-I437 HydrophobicContact CD2-CG1 3.81Å |
| 283 | H | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 134.9 | 164.4 | -167.5 | -88.1 | 0 | 0 | 0 | 108.6 | T285 L300 E303 R327 P435 V436 H438 | H283-T285 PolarHBondContact CE1-OG1 2.83Å; H283-T285 PolarHBondContact ND1-N 3.13Å; H283-T285 PolarHBondContact ND1-O 2.8Å; H283-T285 PolarHBondContact ND1-OG1 3.03Å; H283-T285 PolarHBondContact O-N 3.34Å; H283-L300 HydrophobicContact CB-CD1 4.25Å; H283-L300 WeakPolarHBondContact ND1-CD1 3.37Å; H283-E303 IonicContact NE2-OE2 2.82Å; H283-R327 PolarHBondContact CD2-NE 2.95Å; H283-R327 PolarHBondContact NE2-NH2 3.3Å; H283-P435 CarbonylContact O-C 3.56Å; H283-P435 VanDerWaalsContact O-CA 3.31Å; H283-P435 WeakPolarHBondContact O-CA 3.49Å; H283-V436 HydrophobicContact CB-CG2 3.96Å; H283-V436 PolarHBondContact N-O 2.68Å; H283-V436 WeakPolarHBondContact O-CG2 3.38Å; H283-V436 PolarHBondContact O-N 2.96Å; H283-H438 HydrophobicContact CB-CB 3.56Å |
| 284 | P | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -21.4 | -173.4 | 25.1 | -34.7 | 0 | 0 | 0 | 113.5 | L330 I334 T434 | P284-L330 HydrophobicContact CB-CB 4.01Å; P284-L330 HydrophobicContact CB-CD2 4.02Å; P284-L330 HydrophobicContact CB-CG 3.86Å; P284-L330 HydrophobicContact CG-CB 4.08Å; P284-L330 HydrophobicContact CG-CD2 3.82Å; P284-L330 HydrophobicContact CG-CG 4.11Å; P284-I334 HydrophobicContact CB-CD1 3.73Å; P284-I334 VanDerWaalsContact O-CD1 3.32Å; P284-I334 WeakPolarHBondContact O-CD1 3.27Å; P284-T434 CarbonylContact O-C 3.59Å |
| 285 | T | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 83.6 | -168 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | H283 A301 L312 I433 | H283-T285 PolarHBondContact CE1-OG1 2.83Å; H283-T285 PolarHBondContact ND1-N 3.13Å; H283-T285 PolarHBondContact ND1-O 2.8Å; H283-T285 PolarHBondContact ND1-OG1 3.03Å; H283-T285 PolarHBondContact O-N 3.34Å; T285-A301 WeakPolarHBondContact O-CB 3.3Å; T285-A301 PolarHBondContact O-N 2.81Å; T285-A301 PolarHBondContact OG1-O 2.8Å; T285-L312 HydrophobicContact CG2-CD1 4.43Å; T285-L312 HydrophobicContact CG2-CD2 4.47Å; T285-I433 HydrophobicContact CG2-CB 4.49Å; T285-I433 HydrophobicContact CG2-CD1 3.89Å; T285-I433 HydrophobicContact CG2-CG1 4.03Å |
| 286 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V288 F299 I433 T434 | G286-V288 PolarHBondContact O-N 3.19Å; G286-F299 CarbonylContact C-O 3.59Å; G286-I433 CarbonylContact O-C 3.51Å; G286-I433 WeakPolarHBondContact O-CA 3.25Å; G286-T434 PolarHBondContact N-O 3.35Å; G286-T434 PolarHBondContact O-N 2.98Å |
| 287 | F | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.7 | 176.9 | -75.4 | -62.8 | 0 | 0 | 0 | 110.9 | F299 A301 L305 L350 Y368 F374 F375 A431 I433 | F287-F299 HydrophobicContact CB-CB 4.49Å; F287-F299 HydrophobicContact CD2-CB 4.19Å; F287-F299 PolarHBondContact N-O 3.18Å; F287-A301 HydrophobicContact CD1-CB 3.92Å; F287-A301 HydrophobicContact CD2-CB 3.73Å; F287-A301 HydrophobicContact CE1-CB 3.67Å; F287-A301 HydrophobicContact CE2-CB 3.5Å; F287-A301 VanDerWaalsContact CE2-CB 3.5Å; F287-A301 HydrophobicContact CG-CB 3.94Å; F287-A301 HydrophobicContact CZ-CB 3.45Å; F287-A301 VanDerWaalsContact CZ-CB 3.45Å; F287-L305 HydrophobicContact CE2-CD1 4.5Å; F287-L305 HydrophobicContact CZ-CD1 3.81Å; F287-L350 HydrophobicContact CE1-CD2 4.49Å; F287-Y368 HydrophobicContact CD2-CD1 4.29Å; F287-Y368 AromaticContact CE2-CD1 3.51Å; F287-Y368 HydrophobicContact CE2-CD1 3.51Å; F287-Y368 HydrophobicContact CE2-CD2 4.27Å; F287-Y368 AromaticContact CE2-CE1 3.79Å; F287-Y368 HydrophobicContact CE2-CE1 3.79Å; F287-Y368 HydrophobicContact CE2-CE2 4.49Å; F287-Y368 AromaticContact CE2-CG 3.78Å; F287-Y368 HydrophobicContact CE2-CG 3.78Å; F287-Y368 HydrophobicContact CZ-CD1 4.23Å; F287-Y368 HydrophobicContact CZ-CD2 4.35Å; F287-Y368 HydrophobicContact CZ-CG 4.02Å; F287-F374 HydrophobicContact CB-CB 4.49Å; F287-F374 HydrophobicContact CB-CD1 4.21Å; F287-F374 HydrophobicContact CB-CD2 3.91Å; F287-F374 HydrophobicContact CB-CE1 4.41Å; F287-F374 HydrophobicContact CB-CE2 4.11Å; F287-F374 HydrophobicContact CB-CG 3.96Å; F287-F374 HydrophobicContact CB-CZ 4.36Å; F287-F374 HydrophobicContact CD1-CB 3.78Å; F287-F374 HydrophobicContact CD1-CD2 4.03Å; F287-F374 HydrophobicContact CD1-CG 4.06Å; F287-F374 AromaticContact CD2-CD2 3.3Å; F287-F374 HydrophobicContact CD2-CD2 3.3Å; F287-F374 AromaticContact CD2-CE2 3.58Å; F287-F374 HydrophobicContact CD2-CE2 3.58Å; F287-F374 HydrophobicContact CD2-CG 4.1Å; F287-F374 HydrophobicContact CE1-CB 4.08Å; F287-F374 HydrophobicContact CE1-CD2 4.38Å; F287-F374 AromaticContact CE2-CD2 3.68Å; F287-F374 HydrophobicContact CE2-CD2 3.68Å; F287-F374 HydrophobicContact CE2-CE2 4.2Å; F287-F374 HydrophobicContact CG-CB 4.06Å; F287-F374 AromaticContact CG-CD2 3.49Å; F287-F374 HydrophobicContact CG-CD2 3.49Å; F287-F374 VanDerWaalsContact CG-CD2 3.49Å; F287-F374 AromaticContact CG-CE2 4Å; F287-F374 HydrophobicContact CG-CE2 4Å; F287-F374 AromaticContact CG-CG 3.8Å; F287-F374 HydrophobicContact CG-CG 3.8Å; F287-F374 HydrophobicContact CZ-CD2 4.23Å; F287-F375 HydrophobicContact CE1-CD2 4.38Å; F287-F375 AromaticContact CE1-CE2 3.57Å; F287-F375 HydrophobicContact CE1-CE2 3.57Å; F287-F375 AromaticContact CE1-CZ 3.75Å; F287-F375 HydrophobicContact CE1-CZ 3.75Å; F287-F375 AromaticContact CZ-CE2 3.57Å; F287-F375 HydrophobicContact CZ-CE2 3.57Å; F287-F375 AromaticContact CZ-CZ 3.96Å; F287-F375 HydrophobicContact CZ-CZ 3.96Å; F287-A431 HydrophobicContact CD1-CB 3.97Å; F287-A431 HydrophobicContact CE1-CB 3.79Å; F287-I433 HydrophobicContact CD1-CG2 4.08Å; F287-I433 HydrophobicContact CE1-CG2 4.43Å |
| 288 | V | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | trans | -88.2 | 105.8 | 164.6 | -178.7 | 0 | 0 | 0 | 0 | 107 | G286 P290 P293 V344 K432 T434 | G286-V288 PolarHBondContact O-N 3.19Å; V288-P290 VanDerWaalsContact O-CD 3.29Å; V288-P290 WeakPolarHBondContact O-CD 3.3Å; V288-P293 HydrophobicContact CG1-CB 3.72Å; V288-V344 HydrophobicContact CG1-CG2 3.79Å; V288-V344 HydrophobicContact CG2-CG1 3.67Å; V288-V344 HydrophobicContact CG2-CG2 4.3Å; V288-K432 HydrophobicContact CB-CB 3.84Å; V288-K432 HydrophobicContact CG2-CB 4.18Å; V288-K432 PolarHBondContact N-O 2.81Å; V288-T434 HydrophobicContact CG2-CG2 3.96Å | ||
| 289 | D | 96.9 | Very high | 96.9 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 118.8 | 175.3 | -168.6 | -31.6 | 0 | 0 | 0 | 109.3 | A291 S292 P293 F374 | D289-A291 PolarHBondContact O-N 2.74Å; D289-A291 WeakPolarHBondContact OD1-CB 3.45Å; D289-A291 PolarHBondContact OD1-N 2.76Å; D289-S292 CarbonylContact O-C 3Å; D289-S292 VanDerWaalsContact O-C 3.25Å; D289-S292 PolarHBondContact O-N 3.4Å; D289-S292 VanDerWaalsContact O-N 3.09Å; D289-P293 VanDerWaalsContact O-CA 3.26Å; D289-P293 WeakPolarHBondContact O-CA 3.43Å; D289-P293 WeakPolarHBondContact O-CD 3.4Å; D289-F374 HydrophobicContact CB-CD1 4.39Å; D289-F374 HydrophobicContact CB-CE1 3.94Å | ||
| 290 | P | 94.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 58% | 0.578 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.5 | 177.8 | -23.4 | 34.7 | 0 | 0 | 0 | 113.5 | V288 | V288-P290 VanDerWaalsContact O-CD 3.29Å; V288-P290 WeakPolarHBondContact O-CD 3.3Å |
| 291 | A | 94.7 | Very high | 96.8 | Very high | 91 Ų | 91 | 36 Ų | 36 | 75% | 0.752 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -22.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D289 | D289-A291 PolarHBondContact O-N 2.74Å; D289-A291 WeakPolarHBondContact OD1-CB 3.45Å; D289-A291 PolarHBondContact OD1-N 2.76Å |
| 292 | S | 95.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | trans | -152.5 | 63.4 | -174.9 | 68 | 0 | 0 | 0 | 0 | 111.6 | D289 A294 E295 | D289-S292 CarbonylContact O-C 3Å; D289-S292 VanDerWaalsContact O-C 3.25Å; D289-S292 PolarHBondContact O-N 3.4Å; D289-S292 VanDerWaalsContact O-N 3.09Å; S292-A294 VanDerWaalsContact C-N 3.28Å; S292-A294 PolarHBondContact O-N 3.22Å; S292-E295 WeakPolarHBondContact O-CB 3.4Å; S292-E295 WeakPolarHBondContact O-CG 3.33Å; S292-E295 PolarHBondContact O-N 2.92Å; S292-E295 WeakPolarHBondContact OG-CG 3.43Å | ||
| 293 | P | 95.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 35 Ų | 35 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -33 | -169.5 | 24.2 | -34.6 | 0 | 0 | 0 | 112.8 | V288 D289 E295 K298 V344 | V288-P293 HydrophobicContact CG1-CB 3.72Å; D289-P293 VanDerWaalsContact O-CA 3.26Å; D289-P293 WeakPolarHBondContact O-CA 3.43Å; D289-P293 WeakPolarHBondContact O-CD 3.4Å; P293-E295 VanDerWaalsContact C-N 3.25Å; P293-E295 PolarHBondContact O-N 3.18Å; P293-K298 PolarHBondContact O-NZ 3.33Å; P293-V344 HydrophobicContact CB-CG2 4.05Å; P293-V344 WeakPolarHBondContact O-CG2 3.11Å |
| 294 | A | 94.9 | Very high | 96.2 | Very high | 72 Ų | 72 | 35 Ų | 35 | 60% | 0.595 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S292 G296 S343 | S292-A294 VanDerWaalsContact C-N 3.28Å; S292-A294 PolarHBondContact O-N 3.22Å; A294-G296 PolarHBondContact O-N 2.88Å; A294-S343 WeakPolarHBondContact CA-O 3.17Å |
| 295 | E | 95 | Very high | 96.2 | Very high | 111 Ų | 111 | 35 Ų | 35 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | trans | -59.9 | 128.8 | -179.3 | -76.6 | -65.1 | 149 | 0 | 0 | 111.7 | S292 P293 T297 K298 | S292-E295 WeakPolarHBondContact O-CB 3.4Å; S292-E295 WeakPolarHBondContact O-CG 3.33Å; S292-E295 PolarHBondContact O-N 2.92Å; S292-E295 WeakPolarHBondContact OG-CG 3.43Å; P293-E295 VanDerWaalsContact C-N 3.25Å; P293-E295 PolarHBondContact O-N 3.18Å; E295-T297 VanDerWaalsContact C-N 3.3Å; E295-T297 PolarHBondContact O-N 3.07Å; E295-K298 PolarHBondContact O-NZ 3.17Å | ||
| 296 | G | 93.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -71 | -25.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | P252 T253 A294 | P252-G296 CarbonylContact C-O 3.43Å; P252-G296 VanDerWaalsContact CA-O 3.25Å; P252-G296 WeakPolarHBondContact CA-O 3.43Å; P252-G296 WeakPolarHBondContact CB-O 3.37Å; T253-G296 PolarHBondContact N-O 3.41Å; A294-G296 PolarHBondContact O-N 2.88Å |
| 297 | T | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -105.4 | 119.3 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | T253 E295 | T253-T297 CarbonylContact O-C 3.53Å; T253-T297 VanDerWaalsContact O-CA 3.27Å; T253-T297 WeakPolarHBondContact O-CA 3.24Å; E295-T297 VanDerWaalsContact C-N 3.3Å; E295-T297 PolarHBondContact O-N 3.07Å |
| 298 | K | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | trans | -110.5 | 152.6 | -176.1 | -60.3 | -171.6 | -173.5 | -56.3 | 0 | 111.6 | P252 T253 T254 P293 E295 T434 V436 | P252-K298 HydrophobicContact CB-CD 3.78Å; P252-K298 HydrophobicContact CB-CG 3.99Å; P252-K298 HydrophobicContact CG-CD 3.83Å; T253-K298 PolarHBondContact O-N 3.37Å; T254-K298 WeakPolarHBondContact CA-O 3.43Å; T254-K298 WeakPolarHBondContact CG2-O 3.45Å; P293-K298 PolarHBondContact O-NZ 3.33Å; E295-K298 PolarHBondContact O-NZ 3.17Å; K298-T434 HydrophobicContact CD-CG2 3.51Å; K298-V436 HydrophobicContact CB-CG1 4.09Å; K298-V436 HydrophobicContact CD-CG1 3.88Å; K298-V436 HydrophobicContact CG-CG1 4.33Å | ||
| 299 | F | 97 | Very high | 95.6 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 41% | 0.408 | 23% | 0.228 | S | C | . | . | trans | -72.3 | 132.9 | 168.3 | -80.3 | -96.5 | 0 | 0 | 0 | 109.5 | G286 F287 A301 K372 F374 | G286-F299 CarbonylContact C-O 3.59Å; F287-F299 HydrophobicContact CB-CB 4.49Å; F287-F299 HydrophobicContact CD2-CB 4.19Å; F287-F299 PolarHBondContact N-O 3.18Å; F299-A301 PolarHBondContact O-N 3.35Å; F299-K372 HydrophobicContact CZ-CD 4.4Å; F299-F374 HydrophobicContact CB-CE2 3.58Å; F299-F374 HydrophobicContact CB-CZ 3.62Å; F299-F374 HydrophobicContact CD1-CE2 4.43Å; F299-F374 HydrophobicContact CD1-CZ 4.45Å; F299-F374 HydrophobicContact CD2-CE2 4.27Å; F299-F374 AromaticContact CD2-CZ 3.54Å; F299-F374 HydrophobicContact CD2-CZ 3.54Å; F299-F374 HydrophobicContact CE2-CZ 4.34Å; F299-F374 AromaticContact CG-CE2 3.85Å; F299-F374 HydrophobicContact CG-CE2 3.85Å; F299-F374 AromaticContact CG-CZ 3.6Å; F299-F374 HydrophobicContact CG-CZ 3.6Å | ||
| 300 | L | 97.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 123.5 | 171.8 | -177.2 | 71.8 | 0 | 0 | 0 | 109.4 | T254 H283 A302 | T254-L300 HydrophobicContact CG2-CB 3.98Å; T254-L300 HydrophobicContact CG2-CD1 4.1Å; H283-L300 HydrophobicContact CB-CD1 4.25Å; H283-L300 WeakPolarHBondContact ND1-CD1 3.37Å; L300-A302 PolarHBondContact O-N 2.55Å |
| 301 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -75.8 | 107.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | T285 F287 F299 E303 L305 L350 I433 | T285-A301 WeakPolarHBondContact O-CB 3.3Å; T285-A301 PolarHBondContact O-N 2.81Å; T285-A301 PolarHBondContact OG1-O 2.8Å; F287-A301 HydrophobicContact CD1-CB 3.92Å; F287-A301 HydrophobicContact CD2-CB 3.73Å; F287-A301 HydrophobicContact CE1-CB 3.67Å; F287-A301 HydrophobicContact CE2-CB 3.5Å; F287-A301 VanDerWaalsContact CE2-CB 3.5Å; F287-A301 HydrophobicContact CG-CB 3.94Å; F287-A301 HydrophobicContact CZ-CB 3.45Å; F287-A301 VanDerWaalsContact CZ-CB 3.45Å; F299-A301 PolarHBondContact O-N 3.35Å; A301-E303 PolarHBondContact O-N 2.74Å; A301-L305 HydrophobicContact CB-CD1 4.21Å; A301-L350 HydrophobicContact CB-CD2 4.38Å; A301-I433 HydrophobicContact CB-CG2 4.11Å | ||
| 302 | A | 95 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | trans | -50.5 | 130 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110 | L300 A304 L305 F360 Y368 | L300-A302 PolarHBondContact O-N 2.55Å; A302-A304 PolarHBondContact O-N 2.9Å; A302-A304 VanDerWaalsContact O-N 3.08Å; A302-L305 HydrophobicContact CB-CG 4.46Å; A302-L305 VanDerWaalsContact O-CB 3.27Å; A302-L305 WeakPolarHBondContact O-CB 3.05Å; A302-L305 WeakPolarHBondContact O-CG 3.39Å; A302-L305 PolarHBondContact O-N 3.38Å; A302-F360 HydrophobicContact CB-CE2 4.08Å; A302-F360 HydrophobicContact CB-CZ 4.2Å; A302-Y368 HydrophobicContact CB-CE2 4.38Å | ||
| 303 | E | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -27.3 | 178.2 | 176.3 | 151.4 | -143.3 | 0 | 0 | 112.3 | S74 L140 G141 H283 A301 L305 R306 G307 R327 | S74-E303 PolarHBondContact OG-N 3.05Å; L140-E303 HydrophobicContact CB-CG 3.81Å; L140-E303 HydrophobicContact CD1-CG 4.48Å; L140-E303 HydrophobicContact CD2-CB 3.98Å; L140-E303 HydrophobicContact CD2-CG 3.79Å; L140-E303 HydrophobicContact CG-CG 4.2Å; G141-E303 VanDerWaalsContact CA-OE1 3.3Å; G141-E303 WeakPolarHBondContact CA-OE1 3.34Å; G141-E303 PolarHBondContact N-OE1 2.85Å; H283-E303 IonicContact NE2-OE2 2.82Å; A301-E303 PolarHBondContact O-N 2.74Å; E303-L305 PolarHBondContact O-N 2.91Å; E303-R306 WeakPolarHBondContact O-CB 3.48Å; E303-R306 PolarHBondContact O-N 3.28Å; E303-R306 IonicContact OE1-CZ 3.95Å; E303-R306 IonicContact OE1-NH1 2.77Å; E303-R306 PolarHBondContact OE1-NH1 2.88Å; E303-R306 IonicContact OE1-NH2 3.33Å; E303-R306 PolarHBondContact OE1-NH2 3.49Å; E303-R306 IonicContact OE2-NH2 2.8Å; E303-G307 PolarHBondContact O-N 2.86Å; E303-R327 IonicContact OE2-CZ 2.83Å; E303-R327 VanDerWaalsContact OE2-CZ 3.27Å; E303-R327 IonicContact OE2-NE 2.68Å; E303-R327 PolarHBondContact OE2-NE 3.46Å; E303-R327 IonicContact OE2-NH2 3.09Å; E303-R327 PolarHBondContact OE2-NH2 3.21Å |
| 304 | A | 93.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -20.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | V138 L140 A302 G307 S308 F360 | V138-A304 HydrophobicContact CG1-CB 3.99Å; V138-A304 HydrophobicContact CG2-CB 4.04Å; L140-A304 HydrophobicContact CD2-CB 4.04Å; A302-A304 PolarHBondContact O-N 2.9Å; A302-A304 VanDerWaalsContact O-N 3.08Å; A304-G307 CarbonylContact O-C 3.13Å; A304-G307 PolarHBondContact O-N 3.41Å; A304-S308 VanDerWaalsContact O-CB 3.3Å; A304-S308 WeakPolarHBondContact O-CB 3.31Å; A304-S308 PolarHBondContact O-N 2.98Å; A304-S308 PolarHBondContact O-OG 3.31Å; A304-F360 HydrophobicContact CB-CD2 4.04Å; A304-F360 HydrophobicContact CB-CE2 3.79Å |
| 305 | L | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 171 | -68.6 | 162.8 | 0 | 0 | 0 | 110.7 | F287 A301 A302 E303 S308 G310 L350 L352 F360 F365 Y368 F375 | F287-L305 HydrophobicContact CE2-CD1 4.5Å; F287-L305 HydrophobicContact CZ-CD1 3.81Å; A301-L305 HydrophobicContact CB-CD1 4.21Å; A302-L305 HydrophobicContact CB-CG 4.46Å; A302-L305 VanDerWaalsContact O-CB 3.27Å; A302-L305 WeakPolarHBondContact O-CB 3.05Å; A302-L305 WeakPolarHBondContact O-CG 3.39Å; A302-L305 PolarHBondContact O-N 3.38Å; E303-L305 PolarHBondContact O-N 2.91Å; L305-S308 PolarHBondContact O-N 3.45Å; L305-G310 WeakPolarHBondContact O-CA 3.23Å; L305-G310 PolarHBondContact O-N 3.38Å; L305-L350 HydrophobicContact CB-CD2 4.17Å; L305-L350 HydrophobicContact CD1-CD2 3.93Å; L305-L352 HydrophobicContact CB-CD2 4.4Å; L305-L352 HydrophobicContact CD2-CD2 3.84Å; L305-F360 HydrophobicContact CD2-CD1 3.77Å; L305-F360 HydrophobicContact CD2-CD2 3.81Å; L305-F360 HydrophobicContact CD2-CE1 3.84Å; L305-F360 HydrophobicContact CD2-CE2 3.9Å; L305-F360 HydrophobicContact CD2-CG 3.74Å; L305-F360 HydrophobicContact CD2-CZ 3.92Å; L305-F360 HydrophobicContact CG-CD2 4.08Å; L305-F360 HydrophobicContact CG-CE2 3.87Å; L305-F360 HydrophobicContact CG-CZ 4.13Å; L305-F365 HydrophobicContact CD2-CD2 4.24Å; L305-Y368 HydrophobicContact CD1-CD2 4.33Å; L305-Y368 HydrophobicContact CD1-CE2 4.29Å; L305-F375 HydrophobicContact CD1-CZ 4.45Å |
| 306 | R | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 171.9 | -65.5 | -178.2 | -76.8 | 106.9 | -6.1 | 111 | E303 S308 G309 E323 L324 L350 | E303-R306 WeakPolarHBondContact O-CB 3.48Å; E303-R306 PolarHBondContact O-N 3.28Å; E303-R306 IonicContact OE1-CZ 3.95Å; E303-R306 IonicContact OE1-NH1 2.77Å; E303-R306 PolarHBondContact OE1-NH1 2.88Å; E303-R306 IonicContact OE1-NH2 3.33Å; E303-R306 PolarHBondContact OE1-NH2 3.49Å; E303-R306 IonicContact OE2-NH2 2.8Å; R306-S308 PolarHBondContact O-N 3.16Å; R306-G309 PolarHBondContact O-N 3.46Å; R306-G309 VanDerWaalsContact O-N 3.09Å; R306-E323 WeakPolarHBondContact CD-O 3.34Å; R306-E323 HydrophobicContact CG-CB 4.49Å; R306-E323 PolarHBondContact NH1-O 2.85Å; R306-L324 HydrophobicContact CB-CD2 4.22Å; R306-L350 HydrophobicContact CG-CD1 4.21Å |
| 307 | G | 94 | Very high | 97 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.8 | -26.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V139 E303 A304 P419 | V139-G307 WeakPolarHBondContact O-CA 3.49Å; E303-G307 PolarHBondContact O-N 2.86Å; A304-G307 CarbonylContact O-C 3.13Å; A304-G307 PolarHBondContact O-N 3.41Å; G307-P419 WeakPolarHBondContact O-CG 3.37Å |
| 308 | S | 94.6 | Very high | 97 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1 | -179 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | A304 L305 R306 A356 F360 | A304-S308 VanDerWaalsContact O-CB 3.3Å; A304-S308 WeakPolarHBondContact O-CB 3.31Å; A304-S308 PolarHBondContact O-N 2.98Å; A304-S308 PolarHBondContact O-OG 3.31Å; L305-S308 PolarHBondContact O-N 3.45Å; R306-S308 PolarHBondContact O-N 3.16Å; S308-A356 WeakPolarHBondContact CB-O 3.2Å; S308-A356 VanDerWaalsContact O-CA 3.28Å; S308-A356 WeakPolarHBondContact O-CA 3.47Å; S308-A356 WeakPolarHBondContact O-CB 3.43Å; S308-F360 VanDerWaalsContact OG-CA 3.32Å; S308-F360 WeakPolarHBondContact OG-CA 3.23Å; S308-F360 PolarHBondContact OG-N 3.44Å |
| 309 | G | 96.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 121.7 | -5.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | R306 I311 F422 | R306-G309 PolarHBondContact O-N 3.46Å; R306-G309 VanDerWaalsContact O-N 3.09Å; G309-I311 PolarHBondContact O-N 3.31Å; G309-F422 WeakPolarHBondContact O-CZ 3.35Å |
| 310 | G | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | trans | -60.8 | 133 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L305 V351 | L305-G310 WeakPolarHBondContact O-CA 3.23Å; L305-G310 PolarHBondContact O-N 3.38Å; G310-V351 CarbonylContact C-O 3.5Å; G310-V351 VanDerWaalsContact CA-O 3.23Å; G310-V351 WeakPolarHBondContact CA-O 3.33Å | ||
| 311 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 159.9 | 177.8 | 61.1 | 172.6 | 0 | 0 | 0 | 111.3 | G309 L313 L350 V351 L399 Y402 F422 | G309-I311 PolarHBondContact O-N 3.31Å; I311-L313 HydrophobicContact CD1-CD2 4.14Å; I311-L350 WeakPolarHBondContact O-CA 3.49Å; I311-V351 HydrophobicContact CG1-CB 4.06Å; I311-V351 PolarHBondContact N-O 2.9Å; I311-V351 PolarHBondContact O-N 2.92Å; I311-L399 HydrophobicContact CD1-CD2 3.75Å; I311-Y402 HydrophobicContact CG2-CD2 3.96Å; I311-Y402 HydrophobicContact CG2-CE2 3.44Å; I311-Y402 VanDerWaalsContact CG2-CE2 3.44Å; I311-F422 HydrophobicContact CB-CE2 4.42Å; I311-F422 HydrophobicContact CB-CZ 4.49Å; I311-F422 HydrophobicContact CD1-CD2 4.18Å; I311-F422 HydrophobicContact CD1-CE2 3.8Å; I311-F422 HydrophobicContact CD1-CZ 4.07Å; I311-F422 HydrophobicContact CG1-CE2 4Å; I311-F422 HydrophobicContact CG1-CZ 3.88Å; I311-F422 HydrophobicContact CG2-CE2 3.63Å; I311-F422 HydrophobicContact CG2-CZ 4Å |
| 312 | L | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.2 | 175.7 | -61.2 | -171.4 | 0 | 0 | 0 | 110.5 | T285 F320 E323 L330 I334 F349 L350 I433 | T285-L312 HydrophobicContact CG2-CD1 4.43Å; T285-L312 HydrophobicContact CG2-CD2 4.47Å; L312-F320 HydrophobicContact CB-CE1 3.93Å; L312-F320 HydrophobicContact CB-CZ 3.89Å; L312-F320 HydrophobicContact CD1-CZ 4.32Å; L312-E323 HydrophobicContact CB-CG 4.11Å; L312-E323 HydrophobicContact CG-CG 3.99Å; L312-E323 PolarHBondContact N-OE1 3.42Å; L312-L330 HydrophobicContact CD1-CD1 4.07Å; L312-L330 HydrophobicContact CD1-CD2 3.92Å; L312-L330 HydrophobicContact CD1-CG 4.13Å; L312-I334 HydrophobicContact CD1-CD1 4.28Å; L312-F349 CarbonylContact C-O 3.58Å; L312-F349 WeakPolarHBondContact CA-O 3.38Å; L312-L350 HydrophobicContact CD2-CB 3.94Å; L312-L350 HydrophobicContact CD2-CD1 3.8Å; L312-L350 HydrophobicContact CD2-CG 4.47Å; L312-I433 HydrophobicContact CD2-CD1 4.37Å; L312-I433 HydrophobicContact CD2-CG1 4.24Å |
| 313 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.4 | 175.5 | -53.6 | 178.2 | 0 | 0 | 0 | 110.2 | I311 Q318 R319 F349 V351 I388 L395 T398 | I311-L313 HydrophobicContact CD1-CD2 4.14Å; L313-Q318 WeakPolarHBondContact CA-O 3.36Å; L313-R319 HydrophobicContact CD2-CG 3.73Å; L313-F349 HydrophobicContact CB-CB 4.33Å; L313-F349 PolarHBondContact N-O 2.68Å; L313-F349 PolarHBondContact O-N 2.71Å; L313-V351 HydrophobicContact CD1-CG2 3.83Å; L313-V351 HydrophobicContact CG-CG2 4.28Å; L313-I388 HydrophobicContact CD1-CD1 3.78Å; L313-L395 HydrophobicContact CD1-CD1 3.55Å; L313-T398 HydrophobicContact CD2-CG2 3.91Å |
| 314 | N | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.032 | 8% | 0.083 | C | C | . | . | trans | -81.4 | -176.2 | 168.6 | 67.5 | 7.4 | 0 | 0 | 0 | 111.2 | K316 G317 Q318 F320 F337 | N314-K316 PolarHBondContact O-N 3.4Å; N314-K316 VanDerWaalsContact O-N 3.08Å; N314-K316 WeakPolarHBondContact OD1-CA 3.41Å; N314-K316 WeakPolarHBondContact OD1-CB 3.4Å; N314-K316 PolarHBondContact OD1-N 3.18Å; N314-G317 PolarHBondContact O-N 3.44Å; N314-G317 PolarHBondContact OD1-N 2.97Å; N314-Q318 PolarHBondContact N-O 3.34Å; N314-Q318 PolarHBondContact OD1-N 3.05Å; N314-Q318 PolarHBondContact OD1-O 3.32Å; N314-F320 HydrophobicContact CB-CD1 4.03Å; N314-F320 HydrophobicContact CB-CE1 4.36Å; N314-F337 WeakPolarHBondContact CB-O 3.39Å; N314-F337 PolarHBondContact ND2-O 2.83Å | ||
| 315 | E | 97.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 17.6 Ų | 17.6 | 35% | 0.35 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.6 | 177.7 | 77.4 | -68.1 | 164.1 | 0 | 0 | 114.6 | C338 G339 V390 | E315-C338 WeakPolarHBondContact OE2-CA 3.3Å; E315-G339 PolarHBondContact OE2-N 3.31Å; E315-V390 WeakPolarHBondContact O-CG1 3.31Å |
| 316 | K | 98.2 | Very high | 97.5 | Very high | 118 Ų | 118 | 19.6 Ų | 19.6 | 51% | 0.513 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.1 | 175.2 | -57.6 | 172.5 | -172.9 | 170.4 | 0 | 112.2 | N314 Q318 V390 Q394 | N314-K316 PolarHBondContact O-N 3.4Å; N314-K316 VanDerWaalsContact O-N 3.08Å; N314-K316 WeakPolarHBondContact OD1-CA 3.41Å; N314-K316 WeakPolarHBondContact OD1-CB 3.4Å; N314-K316 PolarHBondContact OD1-N 3.18Å; K316-Q318 VanDerWaalsContact C-N 3.27Å; K316-Q318 HydrophobicContact CB-CG 4.16Å; K316-Q318 PolarHBondContact O-N 3.32Å; K316-V390 VanDerWaalsContact C-CG1 3.42Å; K316-Q394 WeakPolarHBondContact O-CG 3.29Å |
| 317 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 74.9 | 19.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | N314 T398 | N314-G317 PolarHBondContact O-N 3.44Å; N314-G317 PolarHBondContact OD1-N 2.97Å; G317-T398 PolarHBondContact O-OG1 3.13Å |
| 318 | Q | 98.7 | Very high | 97.7 | Very high | 70 Ų | 70 | 21 Ų | 21 | 33% | 0.327 | 10% | 0.104 | S | C | . | . | trans | -104.3 | 141.2 | -175.9 | -63.2 | 172.7 | -34 | 0 | 0 | 110.5 | L313 N314 K316 | L313-Q318 WeakPolarHBondContact CA-O 3.36Å; N314-Q318 PolarHBondContact N-O 3.34Å; N314-Q318 PolarHBondContact OD1-N 3.05Å; N314-Q318 PolarHBondContact OD1-O 3.32Å; K316-Q318 VanDerWaalsContact C-N 3.27Å; K316-Q318 HydrophobicContact CB-CG 4.16Å; K316-Q318 PolarHBondContact O-N 3.32Å | ||
| 319 | R | 98.5 | Very high | 97.8 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | trans | -68.8 | 148.8 | 161.3 | -69.5 | -177.1 | 64.8 | -124.8 | -0.7 | 109.4 | L313 A321 E323 T398 D411 F413 | L313-R319 HydrophobicContact CD2-CG 3.73Å; R319-A321 PolarHBondContact NH2-O 3.29Å; R319-E323 IonicContact CZ-OE1 2.89Å; R319-E323 IonicContact CZ-OE2 3.18Å; R319-E323 IonicContact NE-OE1 3.27Å; R319-E323 PolarHBondContact NE-OE1 3.26Å; R319-E323 IonicContact NE-OE2 3.47Å; R319-E323 IonicContact NH2-OE1 2.74Å; R319-E323 PolarHBondContact NH2-OE1 3.19Å; R319-E323 IonicContact NH2-OE2 2.81Å; R319-E323 PolarHBondContact NH2-OE2 3.27Å; R319-T398 HydrophobicContact CB-CG2 4.32Å; R319-T398 HydrophobicContact CG-CG2 3.84Å; R319-D411 IonicContact CZ-OD2 3.66Å; R319-D411 VanDerWaalsContact CZ-OD2 3.27Å; R319-D411 IonicContact NH1-OD2 3.59Å; R319-D411 PolarHBondContact NH1-OD2 3.17Å; R319-D411 IonicContact NH2-OD2 3.19Å; R319-D411 PolarHBondContact NH2-OD2 2.67Å; R319-F413 HydrophobicContact CB-CE2 3.81Å; R319-F413 HydrophobicContact CB-CZ 4.28Å; R319-F413 WeakPolarHBondContact O-CZ 3.4Å | ||
| 320 | F | 98.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | trans | -141.3 | 1.2 | -174.4 | 58.8 | -91.3 | 0 | 0 | 0 | 113.3 | L312 N314 Q333 I334 F337 C338 A348 | L312-F320 HydrophobicContact CB-CE1 3.93Å; L312-F320 HydrophobicContact CB-CZ 3.89Å; L312-F320 HydrophobicContact CD1-CZ 4.32Å; N314-F320 HydrophobicContact CB-CD1 4.03Å; N314-F320 HydrophobicContact CB-CE1 4.36Å; F320-Q333 HydrophobicContact CD2-CB 3.83Å; F320-Q333 HydrophobicContact CE2-CB 3.93Å; F320-Q333 PolarHBondContact O-OE1 3.39Å; F320-I334 HydrophobicContact CE2-CG1 3.81Å; F320-I334 HydrophobicContact CZ-CG1 3.79Å; F320-F337 HydrophobicContact CB-CB 3.71Å; F320-F337 HydrophobicContact CB-CD2 4.22Å; F320-F337 HydrophobicContact CB-CG 4Å; F320-F337 HydrophobicContact CD2-CB 4.04Å; F320-F337 HydrophobicContact CD2-CD2 4.35Å; F320-F337 HydrophobicContact CG-CB 3.93Å; F320-C338 VanDerWaalsContact CE1-SG 3.58Å; F320-C338 VanDerWaalsContact CZ-SG 3.56Å; F320-A348 HydrophobicContact CE1-CB 4.24Å; F320-A348 HydrophobicContact CZ-CB 4.08Å | ||
| 321 | A | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -160.1 | 165.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R319 E323 Y329 L330 Q333 | R319-A321 PolarHBondContact NH2-O 3.29Å; A321-E323 PolarHBondContact O-N 3.4Å; A321-Y329 HydrophobicContact CB-CE1 4.19Å; A321-L330 HydrophobicContact CB-CD1 3.52Å; A321-Q333 HydrophobicContact CB-CB 3.8Å; A321-Q333 HydrophobicContact CB-CG 3.77Å |
| 322 | N | 98 | Very high | 97.9 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | trans | -76.3 | 111.2 | 158.2 | 174.4 | 5 | 0 | 0 | 0 | 108.7 | L324 G325 Y329 F413 K415 | N322-L324 PolarHBondContact O-N 2.97Å; N322-L324 PolarHBondContact OD1-N 3.45Å; N322-G325 PolarHBondContact O-N 3.01Å; N322-Y329 HydrophobicContact CB-CE1 4.38Å; N322-Y329 PolarHBondContact N-OH 2.92Å; N322-F413 HydrophobicContact CB-CB 4.14Å; N322-K415 HydrophobicContact CB-CB 4.09Å; N322-K415 WeakPolarHBondContact OD1-CG 3.02Å | ||
| 323 | E | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.9 | -177.6 | -59.5 | 87.9 | 168.1 | 0 | 0 | 113.6 | R306 L312 R319 A321 K415 | R306-E323 WeakPolarHBondContact CD-O 3.34Å; R306-E323 HydrophobicContact CG-CB 4.49Å; R306-E323 PolarHBondContact NH1-O 2.85Å; L312-E323 HydrophobicContact CB-CG 4.11Å; L312-E323 HydrophobicContact CG-CG 3.99Å; L312-E323 PolarHBondContact N-OE1 3.42Å; R319-E323 IonicContact CZ-OE1 2.89Å; R319-E323 IonicContact CZ-OE2 3.18Å; R319-E323 IonicContact NE-OE1 3.27Å; R319-E323 PolarHBondContact NE-OE1 3.26Å; R319-E323 IonicContact NE-OE2 3.47Å; R319-E323 IonicContact NH2-OE1 2.74Å; R319-E323 PolarHBondContact NH2-OE1 3.19Å; R319-E323 IonicContact NH2-OE2 2.81Å; R319-E323 PolarHBondContact NH2-OE2 3.27Å; A321-E323 PolarHBondContact O-N 3.4Å; E323-K415 WeakPolarHBondContact OE2-CD 3.47Å; E323-K415 WeakPolarHBondContact OE2-CE 3.13Å; E323-K415 IonicContact OE2-NZ 3.72Å |
| 324 | L | 96.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 17.3 | 173.4 | -61 | 177.1 | 0 | 0 | 0 | 112.5 | V139 G141 G142 R306 N322 I417 | V139-L324 HydrophobicContact CG1-CD1 4.37Å; G141-L324 CarbonylContact C-O 3.58Å; G141-L324 VanDerWaalsContact CA-O 3.24Å; G141-L324 WeakPolarHBondContact CA-O 3.31Å; G142-L324 PolarHBondContact N-O 3.37Å; R306-L324 HydrophobicContact CB-CD2 4.22Å; N322-L324 PolarHBondContact O-N 2.97Å; N322-L324 PolarHBondContact OD1-N 3.45Å; L324-I417 HydrophobicContact CD1-CB 3.88Å; L324-I417 HydrophobicContact CD1-CG2 3.87Å |
| 325 | G | 96.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -68.6 | 167.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | G141 N322 | G141-G325 WeakPolarHBondContact CA-O 3.42Å; N322-G325 PolarHBondContact O-N 3.01Å |
| 326 | P | 95.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | trans | -55.8 | 154.6 | 173.2 | -25.3 | 35.4 | 0 | 0 | 0 | 112.9 | D328 Y329 L330 | P326-D328 WeakPolarHBondContact CB-OD1 3.48Å; P326-D328 PolarHBondContact O-N 2.93Å; P326-Y329 WeakPolarHBondContact O-CB 3.48Å; P326-Y329 PolarHBondContact O-N 3.11Å; P326-L330 PolarHBondContact O-N 3.28Å | ||
| 327 | R | 97.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | -172.4 | -70.2 | 168.9 | 175.8 | -157.7 | -10.7 | 113.8 | Q281 H283 E303 T331 H438 | Q281-R327 VanDerWaalsContact CD-CD 3.45Å; Q281-R327 VanDerWaalsContact NE2-CD 3.33Å; H283-R327 PolarHBondContact CD2-NE 2.95Å; H283-R327 PolarHBondContact NE2-NH2 3.3Å; E303-R327 IonicContact OE2-CZ 2.83Å; E303-R327 VanDerWaalsContact OE2-CZ 3.27Å; E303-R327 IonicContact OE2-NE 2.68Å; E303-R327 PolarHBondContact OE2-NE 3.46Å; E303-R327 IonicContact OE2-NH2 3.09Å; E303-R327 PolarHBondContact OE2-NH2 3.21Å; R327-T331 WeakPolarHBondContact O-CB 3.37Å; R327-T331 PolarHBondContact O-N 2.8Å; R327-T331 PolarHBondContact O-OG1 3.08Å; R327-H438 PolarHBondContact NH1-CD2 2.9Å; R327-H438 PolarHBondContact NH1-NE2 3.12Å |
| 328 | D | 97.1 | Very high | 97.9 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.1 | -39.2 | 178.9 | 68.3 | -39.5 | 0 | 0 | 0 | 112.1 | H105 P326 T331 K332 N477 | H105-D328 IonicContact CD2-OD2 3.78Å; H105-D328 IonicContact CE1-OD2 3.53Å; H105-D328 PolarHBondContact CE1-OD2 3.4Å; H105-D328 IonicContact NE2-OD2 2.68Å; H105-D328 PolarHBondContact NE2-OD2 3.18Å; P326-D328 WeakPolarHBondContact CB-OD1 3.48Å; P326-D328 PolarHBondContact O-N 2.93Å; D328-T331 PolarHBondContact O-N 3.01Å; D328-K332 WeakPolarHBondContact O-CB 3.45Å; D328-K332 VanDerWaalsContact O-CG 3.29Å; D328-K332 WeakPolarHBondContact O-CG 3.31Å; D328-K332 PolarHBondContact O-N 3.34Å; D328-N477 HydrophobicContact CB-CB 4.38Å; D328-N477 PolarHBondContact OD1-ND2 2.88Å |
| 329 | Y | 97.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 26% | 0.255 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -55.8 | -55.6 | 168.8 | 159 | -97.8 | 0 | 0 | 0 | 110.1 | A321 N322 P326 T331 K332 Q333 | A321-Y329 HydrophobicContact CB-CE1 4.19Å; N322-Y329 HydrophobicContact CB-CE1 4.38Å; N322-Y329 PolarHBondContact N-OH 2.92Å; P326-Y329 WeakPolarHBondContact O-CB 3.48Å; P326-Y329 PolarHBondContact O-N 3.11Å; Y329-T331 VanDerWaalsContact C-N 3.27Å; Y329-T331 PolarHBondContact O-N 3.19Å; Y329-K332 WeakPolarHBondContact O-CB 3.43Å; Y329-K332 PolarHBondContact O-N 2.84Å; Y329-K332 VanDerWaalsContact O-N 3.11Å; Y329-Q333 HydrophobicContact CD1-CG 4.42Å; Y329-Q333 HydrophobicContact CD2-CG 3.98Å; Y329-Q333 HydrophobicContact CE1-CG 4.01Å; Y329-Q333 HydrophobicContact CE2-CG 3.51Å; Y329-Q333 HydrophobicContact CG-CG 4.42Å; Y329-Q333 WeakPolarHBondContact O-CG 3.44Å; Y329-Q333 PolarHBondContact O-N 2.82Å |
| 330 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -34.1 | -174.5 | -169.7 | 57 | 0 | 0 | 0 | 111.7 | P284 L312 A321 P326 Q333 I334 | P284-L330 HydrophobicContact CB-CB 4.01Å; P284-L330 HydrophobicContact CB-CD2 4.02Å; P284-L330 HydrophobicContact CB-CG 3.86Å; P284-L330 HydrophobicContact CG-CB 4.08Å; P284-L330 HydrophobicContact CG-CD2 3.82Å; P284-L330 HydrophobicContact CG-CG 4.11Å; L312-L330 HydrophobicContact CD1-CD1 4.07Å; L312-L330 HydrophobicContact CD1-CD2 3.92Å; L312-L330 HydrophobicContact CD1-CG 4.13Å; A321-L330 HydrophobicContact CB-CD1 3.52Å; P326-L330 PolarHBondContact O-N 3.28Å; L330-Q333 PolarHBondContact O-N 3.45Å; L330-I334 WeakPolarHBondContact O-CG1 3.5Å; L330-I334 PolarHBondContact O-N 2.71Å |
| 331 | T | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 172 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | L282 R327 D328 Y329 Q333 I334 E335 P435 | L282-T331 HydrophobicContact CB-CG2 3.85Å; L282-T331 HydrophobicContact CD1-CG2 3.87Å; L282-T331 PolarHBondContact O-OG1 3.03Å; R327-T331 WeakPolarHBondContact O-CB 3.37Å; R327-T331 PolarHBondContact O-N 2.8Å; R327-T331 PolarHBondContact O-OG1 3.08Å; D328-T331 PolarHBondContact O-N 3.01Å; Y329-T331 VanDerWaalsContact C-N 3.27Å; Y329-T331 PolarHBondContact O-N 3.19Å; T331-Q333 VanDerWaalsContact C-N 3.25Å; T331-Q333 PolarHBondContact O-N 3.13Å; T331-I334 WeakPolarHBondContact O-CB 3.28Å; T331-I334 PolarHBondContact O-N 2.93Å; T331-I334 VanDerWaalsContact O-N 3.08Å; T331-E335 HydrophobicContact CG2-CG 4.45Å; T331-E335 WeakPolarHBondContact O-CG 3.36Å; T331-E335 PolarHBondContact O-N 3.45Å; T331-P435 HydrophobicContact CG2-CB 3.74Å; T331-P435 HydrophobicContact CG2-CG 3.91Å |
| 332 | K | 98.4 | Very high | 96.7 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 176.1 | -73.1 | 168.9 | -179.4 | 168.9 | 0 | 112.1 | D328 Y329 E335 A336 | D328-K332 WeakPolarHBondContact O-CB 3.45Å; D328-K332 VanDerWaalsContact O-CG 3.29Å; D328-K332 WeakPolarHBondContact O-CG 3.31Å; D328-K332 PolarHBondContact O-N 3.34Å; Y329-K332 WeakPolarHBondContact O-CB 3.43Å; Y329-K332 PolarHBondContact O-N 2.84Å; Y329-K332 VanDerWaalsContact O-N 3.11Å; K332-E335 PolarHBondContact O-N 3.15Å; K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.44Å; K332-A336 PolarHBondContact O-N 2.79Å |
| 333 | Q | 98.8 | Very high | 96 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 175 | -63.2 | -55.2 | -69.3 | 0 | 0 | 111.6 | F320 A321 Y329 L330 T331 A336 F337 | F320-Q333 HydrophobicContact CD2-CB 3.83Å; F320-Q333 HydrophobicContact CE2-CB 3.93Å; F320-Q333 PolarHBondContact O-OE1 3.39Å; A321-Q333 HydrophobicContact CB-CB 3.8Å; A321-Q333 HydrophobicContact CB-CG 3.77Å; Y329-Q333 HydrophobicContact CD1-CG 4.42Å; Y329-Q333 HydrophobicContact CD2-CG 3.98Å; Y329-Q333 HydrophobicContact CE1-CG 4.01Å; Y329-Q333 HydrophobicContact CE2-CG 3.51Å; Y329-Q333 HydrophobicContact CG-CG 4.42Å; Y329-Q333 WeakPolarHBondContact O-CG 3.44Å; Y329-Q333 PolarHBondContact O-N 2.82Å; L330-Q333 PolarHBondContact O-N 3.45Å; T331-Q333 VanDerWaalsContact C-N 3.25Å; T331-Q333 PolarHBondContact O-N 3.13Å; Q333-A336 PolarHBondContact O-N 3.03Å; Q333-F337 HydrophobicContact CB-CD2 4.47Å; Q333-F337 WeakPolarHBondContact O-CB 3.35Å; Q333-F337 VanDerWaalsContact O-CD2 3.31Å; Q333-F337 WeakPolarHBondContact O-CD2 3.42Å; Q333-F337 PolarHBondContact O-N 2.8Å; Q333-F337 VanDerWaalsContact OE1-CE2 3.24Å |
| 334 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 173.8 | -68.1 | 165.1 | 0 | 0 | 0 | 110.4 | P284 L312 F320 L330 T331 A336 C338 H346 A348 I433 P435 | P284-I334 HydrophobicContact CB-CD1 3.73Å; P284-I334 VanDerWaalsContact O-CD1 3.32Å; P284-I334 WeakPolarHBondContact O-CD1 3.27Å; L312-I334 HydrophobicContact CD1-CD1 4.28Å; F320-I334 HydrophobicContact CE2-CG1 3.81Å; F320-I334 HydrophobicContact CZ-CG1 3.79Å; L330-I334 WeakPolarHBondContact O-CG1 3.5Å; L330-I334 PolarHBondContact O-N 2.71Å; T331-I334 WeakPolarHBondContact O-CB 3.28Å; T331-I334 PolarHBondContact O-N 2.93Å; T331-I334 VanDerWaalsContact O-N 3.08Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.31Å; I334-C338 HydrophobicContact CG2-CB 4.11Å; I334-C338 WeakPolarHBondContact O-CB 3.41Å; I334-C338 PolarHBondContact O-N 2.96Å; I334-H346 HydrophobicContact CG2-CB 3.81Å; I334-A348 HydrophobicContact CG1-CB 4.37Å; I334-I433 HydrophobicContact CD1-CD1 4Å; I334-P435 HydrophobicContact CB-CG 4.3Å; I334-P435 HydrophobicContact CD1-CG 4.43Å; I334-P435 HydrophobicContact CG2-CG 3.9Å |
| 335 | E | 98.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 178.8 | -68.7 | 169.5 | 162.7 | 0 | 0 | 112.9 | Y251 T331 K332 H346 | Y251-E335 PolarHBondContact OH-OE1 3.4Å; T331-E335 HydrophobicContact CG2-CG 4.45Å; T331-E335 WeakPolarHBondContact O-CG 3.36Å; T331-E335 PolarHBondContact O-N 3.45Å; K332-E335 PolarHBondContact O-N 3.15Å; E335-H346 PolarHBondContact O-CE1 3.08Å |
| 336 | A | 98.5 | Very high | 95.4 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -80.4 | -36 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | K332 Q333 I334 | K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.44Å; K332-A336 PolarHBondContact O-N 2.79Å; Q333-A336 PolarHBondContact O-N 3.03Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.31Å |
| 337 | F | 98.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 46% | 0.456 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -118.1 | -4.6 | -165.6 | -64.5 | -71.8 | 0 | 0 | 0 | 115.4 | N314 F320 Q333 | N314-F337 WeakPolarHBondContact CB-O 3.39Å; N314-F337 PolarHBondContact ND2-O 2.83Å; F320-F337 HydrophobicContact CB-CB 3.71Å; F320-F337 HydrophobicContact CB-CD2 4.22Å; F320-F337 HydrophobicContact CB-CG 4Å; F320-F337 HydrophobicContact CD2-CB 4.04Å; F320-F337 HydrophobicContact CD2-CD2 4.35Å; F320-F337 HydrophobicContact CG-CB 3.93Å; Q333-F337 HydrophobicContact CB-CD2 4.47Å; Q333-F337 WeakPolarHBondContact O-CB 3.35Å; Q333-F337 VanDerWaalsContact O-CD2 3.31Å; Q333-F337 WeakPolarHBondContact O-CD2 3.42Å; Q333-F337 PolarHBondContact O-N 2.8Å; Q333-F337 VanDerWaalsContact OE1-CE2 3.24Å |
| 338 | C | 98.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -114.5 | 141.3 | -179.8 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | E315 F320 I334 H346 V347 | E315-C338 WeakPolarHBondContact OE2-CA 3.3Å; F320-C338 VanDerWaalsContact CE1-SG 3.58Å; F320-C338 VanDerWaalsContact CZ-SG 3.56Å; I334-C338 HydrophobicContact CG2-CB 4.11Å; I334-C338 WeakPolarHBondContact O-CB 3.41Å; I334-C338 PolarHBondContact O-N 2.96Å; C338-H346 PolarHBondContact O-ND1 3.05Å; C338-V347 WeakPolarHBondContact CB-O 3.36Å |
| 339 | G | 96.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 162.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E315 H346 V347 | E315-G339 PolarHBondContact OE2-N 3.31Å; G339-H346 WeakPolarHBondContact O-CA 3.4Å; G339-V347 PolarHBondContact O-N 2.88Å |
| 340 | K | 94.9 | Very high | 95.8 | Very high | 158 Ų | 158 | 48.4 Ų | 48.4 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132 | 176.8 | -69.1 | -177.5 | 176.7 | -177.8 | 0 | 111.2 | G345 H346 | K340-G345 CarbonylContact C-O 3.59Å; K340-G345 VanDerWaalsContact CA-O 3.29Å; K340-G345 WeakPolarHBondContact CA-O 3.48Å; K340-H346 WeakPolarHBondContact CE-CE1 3.49Å; K340-H346 WeakPolarHBondContact CE-NE2 3.47Å |
| 341 | D | 89.6 | Confident | 95.8 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.1 | 162.3 | -172.7 | -67.4 | 0 | 0 | 0 | 109.1 | S343 V344 G345 V347 | D341-S343 PolarHBondContact O-N 3.44Å; D341-S343 WeakPolarHBondContact OD1-CB 3.46Å; D341-S343 PolarHBondContact OD1-N 2.81Å; D341-S343 PolarHBondContact OD1-OG 3.03Å; D341-V344 HydrophobicContact CB-CB 4.4Å; D341-V344 PolarHBondContact O-N 3.48Å; D341-G345 PolarHBondContact N-O 3.26Å; D341-G345 PolarHBondContact O-N 3.41Å; D341-V347 HydrophobicContact CB-CG2 3.75Å |
| 342 | Q | 86.6 | Confident | 95.8 | Very high | 207 Ų | 207 | 48.2 Ų | 48.2 | 97% | 0.967 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31 | -177.9 | -70.7 | -176.1 | -7 | 0 | 0 | 113.1 | ||
| 343 | S | 82.7 | Confident | 95.8 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16 | -175.7 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | A294 D341 | A294-S343 WeakPolarHBondContact CA-O 3.17Å; D341-S343 PolarHBondContact O-N 3.44Å; D341-S343 WeakPolarHBondContact OD1-CB 3.46Å; D341-S343 PolarHBondContact OD1-N 2.81Å; D341-S343 PolarHBondContact OD1-OG 3.03Å |
| 344 | V | 88.1 | Confident | 95.8 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | -34.5 | -168.3 | -168.1 | 0 | 0 | 0 | 0 | 114 | V288 P293 D341 V347 T434 | V288-V344 HydrophobicContact CG1-CG2 3.79Å; V288-V344 HydrophobicContact CG2-CG1 3.67Å; V288-V344 HydrophobicContact CG2-CG2 4.3Å; P293-V344 HydrophobicContact CB-CG2 4.05Å; P293-V344 WeakPolarHBondContact O-CG2 3.11Å; D341-V344 HydrophobicContact CB-CB 4.4Å; D341-V344 PolarHBondContact O-N 3.48Å; V344-V347 HydrophobicContact CB-CG2 4.31Å; V344-V347 HydrophobicContact CG1-CG2 4.5Å; V344-T434 HydrophobicContact CG1-CG2 3.42Å; V344-T434 VanDerWaalsContact CG1-CG2 3.42Å |
| 345 | G | 93.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.6 | -148 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K340 D341 | K340-G345 CarbonylContact C-O 3.59Å; K340-G345 VanDerWaalsContact CA-O 3.29Å; K340-G345 WeakPolarHBondContact CA-O 3.48Å; D341-G345 PolarHBondContact N-O 3.26Å; D341-G345 PolarHBondContact O-N 3.41Å |
| 346 | H | 97.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 134.3 | -178.8 | -68.7 | -85.6 | 0 | 0 | 0 | 111.8 | I334 E335 C338 G339 K340 T434 | I334-H346 HydrophobicContact CG2-CB 3.81Å; E335-H346 PolarHBondContact O-CE1 3.08Å; C338-H346 PolarHBondContact O-ND1 3.05Å; G339-H346 WeakPolarHBondContact O-CA 3.4Å; K340-H346 WeakPolarHBondContact CE-CE1 3.49Å; K340-H346 WeakPolarHBondContact CE-NE2 3.47Å; H346-T434 WeakPolarHBondContact O-CA 3.38Å; H346-T434 WeakPolarHBondContact O-CB 3.26Å; H346-T434 PolarHBondContact O-OG1 3.25Å; H346-T434 VanDerWaalsContact O-OG1 3.08Å |
| 347 | V | 98.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.085 | 21% | 0.211 | C | C | . | . | trans | -124.8 | 128.2 | -177.9 | 176 | 0 | 0 | 0 | 0 | 110.9 | C338 G339 D341 V344 K432 I433 | C338-V347 WeakPolarHBondContact CB-O 3.36Å; G339-V347 PolarHBondContact O-N 2.88Å; D341-V347 HydrophobicContact CB-CG2 3.75Å; V344-V347 HydrophobicContact CB-CG2 4.31Å; V344-V347 HydrophobicContact CG1-CG2 4.5Å; V347-K432 HydrophobicContact CG1-CB 3.9Å; V347-K432 HydrophobicContact CG1-CD 4.12Å; V347-K432 HydrophobicContact CG1-CG 3.9Å; V347-I433 WeakPolarHBondContact CA-O 3.42Å | ||
| 348 | A | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 164.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F320 I334 I433 | F320-A348 HydrophobicContact CE1-CB 4.24Å; F320-A348 HydrophobicContact CZ-CB 4.08Å; I334-A348 HydrophobicContact CG1-CB 4.37Å; A348-I433 HydrophobicContact CB-CD1 3.72Å; A348-I433 HydrophobicContact CB-CG1 4.45Å; A348-I433 PolarHBondContact N-O 2.83Å; A348-I433 PolarHBondContact O-N 2.74Å |
| 349 | F | 98.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.088 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.4 | 177.7 | -61.6 | -91.1 | 0 | 0 | 0 | 109.5 | L312 L313 I388 V430 A431 K432 | L312-F349 CarbonylContact C-O 3.58Å; L312-F349 WeakPolarHBondContact CA-O 3.38Å; L313-F349 HydrophobicContact CB-CB 4.33Å; L313-F349 PolarHBondContact N-O 2.68Å; L313-F349 PolarHBondContact O-N 2.71Å; F349-I388 HydrophobicContact CD1-CG1 4.09Å; F349-I388 HydrophobicContact CD1-CG2 4.46Å; F349-I388 HydrophobicContact CD2-CG2 3.96Å; F349-I388 HydrophobicContact CE1-CG1 4.45Å; F349-I388 HydrophobicContact CE1-CG2 4.36Å; F349-I388 HydrophobicContact CE2-CG2 3.89Å; F349-I388 HydrophobicContact CG-CG1 4.24Å; F349-I388 HydrophobicContact CG-CG2 4.25Å; F349-I388 HydrophobicContact CZ-CG2 4.08Å; F349-V430 HydrophobicContact CB-CG2 3.93Å; F349-V430 HydrophobicContact CD1-CG2 3.89Å; F349-V430 HydrophobicContact CG-CG2 4.38Å; F349-A431 CarbonylContact C-O 3.42Å; F349-A431 WeakPolarHBondContact CA-O 3.35Å; F349-K432 HydrophobicContact CD1-CG 4.13Å; F349-K432 HydrophobicContact CE1-CG 3.89Å |
| 350 | L | 98.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.7 | 170.6 | 172.8 | 62.9 | 0 | 0 | 0 | 108.9 | F287 A301 L305 R306 I311 L312 L352 F375 V430 A431 I433 | F287-L350 HydrophobicContact CE1-CD2 4.49Å; A301-L350 HydrophobicContact CB-CD2 4.38Å; L305-L350 HydrophobicContact CB-CD2 4.17Å; L305-L350 HydrophobicContact CD1-CD2 3.93Å; R306-L350 HydrophobicContact CG-CD1 4.21Å; I311-L350 WeakPolarHBondContact O-CA 3.49Å; L312-L350 HydrophobicContact CD2-CB 3.94Å; L312-L350 HydrophobicContact CD2-CD1 3.8Å; L312-L350 HydrophobicContact CD2-CG 4.47Å; L350-L352 HydrophobicContact CD1-CD1 4.23Å; L350-L352 HydrophobicContact CD2-CD1 4.23Å; L350-L352 HydrophobicContact CG-CD1 3.85Å; L350-F375 HydrophobicContact CD2-CE1 4.46Å; L350-F375 HydrophobicContact CD2-CZ 4.06Å; L350-F375 HydrophobicContact CG-CE1 4.49Å; L350-V430 WeakPolarHBondContact O-CA 3.28Å; L350-A431 PolarHBondContact N-O 2.92Å; L350-A431 PolarHBondContact O-N 2.78Å; L350-I433 HydrophobicContact CB-CG1 4.23Å; L350-I433 HydrophobicContact CB-CG2 4.03Å; L350-I433 HydrophobicContact CD2-CG2 4.4Å |
| 351 | V | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.1 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | G310 I311 L313 L384 I388 F428 Y429 V430 | G310-V351 CarbonylContact C-O 3.5Å; G310-V351 VanDerWaalsContact CA-O 3.23Å; G310-V351 WeakPolarHBondContact CA-O 3.33Å; I311-V351 HydrophobicContact CG1-CB 4.06Å; I311-V351 PolarHBondContact N-O 2.9Å; I311-V351 PolarHBondContact O-N 2.92Å; L313-V351 HydrophobicContact CD1-CG2 3.83Å; L313-V351 HydrophobicContact CG-CG2 4.28Å; V351-L384 HydrophobicContact CG1-CD1 4.39Å; V351-L384 HydrophobicContact CG1-CD2 3.84Å; V351-L384 HydrophobicContact CG2-CD1 4.35Å; V351-I388 HydrophobicContact CG2-CD1 4.41Å; V351-F428 HydrophobicContact CG1-CB 4.43Å; V351-F428 HydrophobicContact CG1-CD1 3.91Å; V351-Y429 WeakPolarHBondContact CA-O 3.46Å; V351-V430 HydrophobicContact CG2-CB 4.28Å; V351-V430 HydrophobicContact CG2-CG2 3.99Å |
| 352 | L | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.7 | 172.4 | -62.6 | 93.6 | 0 | 0 | 0 | 109.8 | L305 L350 A356 V357 F365 F375 F428 Y429 | L305-L352 HydrophobicContact CB-CD2 4.4Å; L305-L352 HydrophobicContact CD2-CD2 3.84Å; L350-L352 HydrophobicContact CD1-CD1 4.23Å; L350-L352 HydrophobicContact CD2-CD1 4.23Å; L350-L352 HydrophobicContact CG-CD1 3.85Å; L352-A356 HydrophobicContact CB-CB 4.08Å; L352-A356 HydrophobicContact CD2-CB 4.06Å; L352-A356 HydrophobicContact CG-CB 4.33Å; L352-V357 HydrophobicContact CB-CG2 4.1Å; L352-V357 HydrophobicContact CD2-CG2 4.35Å; L352-F365 HydrophobicContact CD1-CE2 4.49Å; L352-F375 HydrophobicContact CD1-CE1 3.46Å; L352-F375 VanDerWaalsContact CD1-CE1 3.46Å; L352-F375 HydrophobicContact CD1-CZ 3.72Å; L352-F428 CarbonylContact O-C 3.38Å; L352-F428 WeakPolarHBondContact O-CA 3.37Å; L352-Y429 PolarHBondContact N-O 3.29Å; L352-Y429 PolarHBondContact O-N 3.04Å |
| 353 | N | 98.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -176.5 | 163.2 | 68.1 | -12.9 | 0 | 0 | 0 | 110.4 | A355 A356 V357 T420 T421 F422 E426 P427 | N353-A355 VanDerWaalsContact C-N 3.33Å; N353-A355 PolarHBondContact O-N 2.88Å; N353-A355 PolarHBondContact OD1-N 3.41Å; N353-A356 PolarHBondContact O-N 3.11Å; N353-A356 WeakPolarHBondContact OD1-CB 3.38Å; N353-A356 PolarHBondContact OD1-N 3.16Å; N353-V357 WeakPolarHBondContact O-CB 3.46Å; N353-V357 VanDerWaalsContact O-CG2 3.31Å; N353-V357 WeakPolarHBondContact O-CG2 3.32Å; N353-V357 PolarHBondContact O-N 2.95Å; N353-T420 PolarHBondContact ND2-OG1 3.37Å; N353-T420 PolarHBondContact OD1-OG1 3.34Å; N353-T421 PolarHBondContact ND2-O 3.47Å; N353-F422 HydrophobicContact CB-CD1 3.93Å; N353-F422 HydrophobicContact CB-CE1 4.04Å; N353-E426 HydrophobicContact CB-CG 4.12Å; N353-E426 WeakPolarHBondContact CB-OE1 3.43Å; N353-E426 VanDerWaalsContact ND2-CD 3.27Å; N353-E426 PolarHBondContact ND2-OE1 3.42Å; N353-E426 PolarHBondContact ND2-OE2 3.02Å; N353-P427 WeakPolarHBondContact CA-O 3.35Å |
| 354 | D | 98.5 | Very high | 96 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 178.3 | -91.9 | -47.6 | 0 | 0 | 0 | 113.1 | A356 V357 D358 R362 | D354-A356 PolarHBondContact O-N 2.89Å; D354-V357 WeakPolarHBondContact O-CB 3.43Å; D354-V357 PolarHBondContact O-N 3.11Å; D354-D358 WeakPolarHBondContact O-CB 3.44Å; D354-D358 PolarHBondContact O-N 2.79Å; D354-R362 IonicContact OD1-CZ 3.63Å; D354-R362 VanDerWaalsContact OD1-CZ 3.29Å; D354-R362 IonicContact OD1-NH1 2.75Å; D354-R362 PolarHBondContact OD1-NH1 3.44Å; D354-R362 IonicContact OD1-NH2 2.79Å; D354-R362 PolarHBondContact OD1-NH2 2.76Å |
| 355 | A | 98.1 | Very high | 96.3 | Very high | 46 Ų | 46 | 25.2 Ų | 25.2 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N353 V357 D358 A359 T420 | N353-A355 VanDerWaalsContact C-N 3.33Å; N353-A355 PolarHBondContact O-N 2.88Å; N353-A355 PolarHBondContact OD1-N 3.41Å; A355-V357 VanDerWaalsContact C-N 3.35Å; A355-D358 PolarHBondContact O-N 3.06Å; A355-A359 WeakPolarHBondContact O-CB 3.28Å; A355-A359 PolarHBondContact O-N 2.83Å; A355-T420 WeakPolarHBondContact CB-OG1 3.41Å |
| 356 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S308 L352 N353 D354 F360 T420 | S308-A356 WeakPolarHBondContact CB-O 3.2Å; S308-A356 VanDerWaalsContact O-CA 3.28Å; S308-A356 WeakPolarHBondContact O-CA 3.47Å; S308-A356 WeakPolarHBondContact O-CB 3.43Å; L352-A356 HydrophobicContact CB-CB 4.08Å; L352-A356 HydrophobicContact CD2-CB 4.06Å; L352-A356 HydrophobicContact CG-CB 4.33Å; N353-A356 PolarHBondContact O-N 3.11Å; N353-A356 WeakPolarHBondContact OD1-CB 3.38Å; N353-A356 PolarHBondContact OD1-N 3.16Å; D354-A356 PolarHBondContact O-N 2.89Å; A356-F360 WeakPolarHBondContact O-CB 3.4Å; A356-F360 PolarHBondContact O-N 3.24Å; A356-T420 HydrophobicContact CB-CG2 4.24Å |
| 357 | V | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 174.5 | 165.3 | 0 | 0 | 0 | 0 | 111.5 | L352 N353 D354 A355 F360 G361 R362 F365 Y429 | L352-V357 HydrophobicContact CB-CG2 4.1Å; L352-V357 HydrophobicContact CD2-CG2 4.35Å; N353-V357 WeakPolarHBondContact O-CB 3.46Å; N353-V357 VanDerWaalsContact O-CG2 3.31Å; N353-V357 WeakPolarHBondContact O-CG2 3.32Å; N353-V357 PolarHBondContact O-N 2.95Å; D354-V357 WeakPolarHBondContact O-CB 3.43Å; D354-V357 PolarHBondContact O-N 3.11Å; A355-V357 VanDerWaalsContact C-N 3.35Å; V357-F360 PolarHBondContact O-N 3.49Å; V357-G361 CarbonylContact O-C 3.58Å; V357-G361 PolarHBondContact O-N 3.23Å; V357-R362 HydrophobicContact CG1-CG 3.75Å; V357-R362 PolarHBondContact O-N 2.83Å; V357-F365 HydrophobicContact CB-CD1 4.29Å; V357-F365 HydrophobicContact CB-CG 4.32Å; V357-F365 HydrophobicContact CG1-CB 3.91Å; V357-F365 HydrophobicContact CG1-CD1 3.5Å; V357-F365 VanDerWaalsContact CG1-CD1 3.5Å; V357-F365 HydrophobicContact CG1-CE1 4.16Å; V357-F365 HydrophobicContact CG1-CG 3.71Å; V357-F365 HydrophobicContact CG2-CD1 3.76Å; V357-F365 HydrophobicContact CG2-CD2 3.85Å; V357-F365 HydrophobicContact CG2-CE1 3.72Å; V357-F365 HydrophobicContact CG2-CE2 3.82Å; V357-F365 HydrophobicContact CG2-CG 3.82Å; V357-F365 HydrophobicContact CG2-CZ 3.76Å; V357-Y429 HydrophobicContact CG2-CD2 3.83Å; V357-Y429 HydrophobicContact CG2-CE2 4.05Å |
| 358 | D | 95.2 | Very high | 96.2 | Very high | 87 Ų | 87 | 27 Ų | 27 | 47% | 0.465 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.2 | -80 | -37.5 | 0 | 0 | 0 | 111.4 | D354 A355 F360 G361 R362 | D354-D358 WeakPolarHBondContact O-CB 3.44Å; D354-D358 PolarHBondContact O-N 2.79Å; A355-D358 PolarHBondContact O-N 3.06Å; D358-F360 VanDerWaalsContact C-N 3.27Å; D358-F360 PolarHBondContact O-N 3.19Å; D358-G361 PolarHBondContact O-N 3.13Å; D358-G361 VanDerWaalsContact O-N 3.1Å; D358-R362 WeakPolarHBondContact OD1-CD 3.41Å; D358-R362 WeakPolarHBondContact OD1-CG 3.45Å; D358-R362 IonicContact OD1-CZ 2.76Å; D358-R362 IonicContact OD1-NE 2.62Å; D358-R362 PolarHBondContact OD1-NE 3.02Å; D358-R362 IonicContact OD1-NH2 3.29Å; D358-R362 PolarHBondContact OD1-NH2 2.73Å; D358-R362 IonicContact OD2-CZ 2.79Å; D358-R362 IonicContact OD2-NE 3.74Å; D358-R362 IonicContact OD2-NH2 3.2Å; D358-R362 PolarHBondContact OD2-NH2 3.46Å |
| 359 | A | 92.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 55% | 0.545 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.1 | -33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A355 | A355-A359 WeakPolarHBondContact O-CB 3.28Å; A355-A359 PolarHBondContact O-N 2.83Å |
| 360 | F | 92.8 | Very high | 96 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75 | -30.2 | 175.1 | 179.7 | -103.3 | 0 | 0 | 0 | 113.2 | R150 A302 A304 L305 S308 A356 V357 D358 A364 F365 Y368 | R150-F360 PolarHBondContact NH1-O 3.22Å; A302-F360 HydrophobicContact CB-CE2 4.08Å; A302-F360 HydrophobicContact CB-CZ 4.2Å; A304-F360 HydrophobicContact CB-CD2 4.04Å; A304-F360 HydrophobicContact CB-CE2 3.79Å; L305-F360 HydrophobicContact CD2-CD1 3.77Å; L305-F360 HydrophobicContact CD2-CD2 3.81Å; L305-F360 HydrophobicContact CD2-CE1 3.84Å; L305-F360 HydrophobicContact CD2-CE2 3.9Å; L305-F360 HydrophobicContact CD2-CG 3.74Å; L305-F360 HydrophobicContact CD2-CZ 3.92Å; L305-F360 HydrophobicContact CG-CD2 4.08Å; L305-F360 HydrophobicContact CG-CE2 3.87Å; L305-F360 HydrophobicContact CG-CZ 4.13Å; S308-F360 VanDerWaalsContact OG-CA 3.32Å; S308-F360 WeakPolarHBondContact OG-CA 3.23Å; S308-F360 PolarHBondContact OG-N 3.44Å; A356-F360 WeakPolarHBondContact O-CB 3.4Å; A356-F360 PolarHBondContact O-N 3.24Å; V357-F360 PolarHBondContact O-N 3.49Å; D358-F360 VanDerWaalsContact C-N 3.27Å; D358-F360 PolarHBondContact O-N 3.19Å; F360-A364 HydrophobicContact CD1-CB 4.24Å; F360-A364 HydrophobicContact CE1-CB 3.6Å; F360-A364 HydrophobicContact CZ-CB 4.24Å; F360-F365 HydrophobicContact CD1-CB 3.96Å; F360-F365 HydrophobicContact CE1-CB 4.41Å; F360-Y368 HydrophobicContact CE1-CD2 4.28Å; F360-Y368 HydrophobicContact CE1-CE2 4.07Å; F360-Y368 HydrophobicContact CZ-CD2 4.45Å; F360-Y368 AromaticContact CZ-CE2 3.83Å; F360-Y368 HydrophobicContact CZ-CE2 3.83Å |
| 361 | G | 92.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | 103.3 | 106 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V357 D358 P363 A364 F365 | V357-G361 CarbonylContact O-C 3.58Å; V357-G361 PolarHBondContact O-N 3.23Å; D358-G361 PolarHBondContact O-N 3.13Å; D358-G361 VanDerWaalsContact O-N 3.1Å; G361-P363 VanDerWaalsContact C-CD 3.43Å; G361-P363 VanDerWaalsContact C-N 3.33Å; G361-P363 VanDerWaalsContact O-N 3.16Å; G361-A364 PolarHBondContact O-N 3.04Å; G361-F365 PolarHBondContact O-N 3.42Å | ||
| 362 | R | 94.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -46.5 | -43.5 | 179.1 | -80.4 | -173.1 | -169.1 | -76.4 | -11.7 | 114.7 | D354 V357 D358 A364 F365 G366 | D354-R362 IonicContact OD1-CZ 3.63Å; D354-R362 VanDerWaalsContact OD1-CZ 3.29Å; D354-R362 IonicContact OD1-NH1 2.75Å; D354-R362 PolarHBondContact OD1-NH1 3.44Å; D354-R362 IonicContact OD1-NH2 2.79Å; D354-R362 PolarHBondContact OD1-NH2 2.76Å; V357-R362 HydrophobicContact CG1-CG 3.75Å; V357-R362 PolarHBondContact O-N 2.83Å; D358-R362 WeakPolarHBondContact OD1-CD 3.41Å; D358-R362 WeakPolarHBondContact OD1-CG 3.45Å; D358-R362 IonicContact OD1-CZ 2.76Å; D358-R362 IonicContact OD1-NE 2.62Å; D358-R362 PolarHBondContact OD1-NE 3.02Å; D358-R362 IonicContact OD1-NH2 3.29Å; D358-R362 PolarHBondContact OD1-NH2 2.73Å; D358-R362 IonicContact OD2-CZ 2.79Å; D358-R362 IonicContact OD2-NE 3.74Å; D358-R362 IonicContact OD2-NH2 3.2Å; D358-R362 PolarHBondContact OD2-NH2 3.46Å; R362-A364 PolarHBondContact O-N 3.45Å; R362-F365 PolarHBondContact O-N 3.42Å; R362-G366 PolarHBondContact O-N 3.49Å |
| 363 | P | 93.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 179.2 | -25.5 | 37 | 0 | 0 | 0 | 113.1 | P153 G156 P158 G361 G366 F367 | P153-P363 HydrophobicContact CB-CB 4.4Å; P153-P363 HydrophobicContact CB-CG 3.99Å; G156-P363 VanDerWaalsContact O-CB 3.24Å; G156-P363 WeakPolarHBondContact O-CB 3.49Å; G156-P363 WeakPolarHBondContact O-CG 3.45Å; P158-P363 HydrophobicContact CB-CB 4.24Å; P158-P363 HydrophobicContact CG-CB 4.47Å; P158-P363 WeakPolarHBondContact CG-O 3.41Å; G361-P363 VanDerWaalsContact C-CD 3.43Å; G361-P363 VanDerWaalsContact C-N 3.33Å; G361-P363 VanDerWaalsContact O-N 3.16Å; P363-G366 PolarHBondContact O-N 2.85Å; P363-F367 PolarHBondContact O-N 3.41Å |
| 364 | A | 92.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.7 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P158 F360 G361 R362 F367 | P158-A364 HydrophobicContact CB-CB 4.18Å; F360-A364 HydrophobicContact CD1-CB 4.24Å; F360-A364 HydrophobicContact CE1-CB 3.6Å; F360-A364 HydrophobicContact CZ-CB 4.24Å; G361-A364 PolarHBondContact O-N 3.04Å; R362-A364 PolarHBondContact O-N 3.45Å; A364-F367 WeakPolarHBondContact O-CB 3.5Å; A364-F367 PolarHBondContact O-N 3.13Å |
| 365 | F | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.9 | -178.8 | -105 | 0 | 0 | 0 | 111.9 | L305 L352 V357 F360 G361 R362 F367 Y368 W369 F375 Y429 | L305-F365 HydrophobicContact CD2-CD2 4.24Å; L352-F365 HydrophobicContact CD1-CE2 4.49Å; V357-F365 HydrophobicContact CB-CD1 4.29Å; V357-F365 HydrophobicContact CB-CG 4.32Å; V357-F365 HydrophobicContact CG1-CB 3.91Å; V357-F365 HydrophobicContact CG1-CD1 3.5Å; V357-F365 VanDerWaalsContact CG1-CD1 3.5Å; V357-F365 HydrophobicContact CG1-CE1 4.16Å; V357-F365 HydrophobicContact CG1-CG 3.71Å; V357-F365 HydrophobicContact CG2-CD1 3.76Å; V357-F365 HydrophobicContact CG2-CD2 3.85Å; V357-F365 HydrophobicContact CG2-CE1 3.72Å; V357-F365 HydrophobicContact CG2-CE2 3.82Å; V357-F365 HydrophobicContact CG2-CG 3.82Å; V357-F365 HydrophobicContact CG2-CZ 3.76Å; F360-F365 HydrophobicContact CD1-CB 3.96Å; F360-F365 HydrophobicContact CE1-CB 4.41Å; G361-F365 PolarHBondContact O-N 3.42Å; R362-F365 PolarHBondContact O-N 3.42Å; F365-F367 PolarHBondContact O-N 3.17Å; F365-F367 VanDerWaalsContact O-N 3.14Å; F365-Y368 PolarHBondContact O-N 2.85Å; F365-W369 HydrophobicContact CD1-CB 4.27Å; F365-W369 HydrophobicContact CD1-CE3 4.25Å; F365-W369 HydrophobicContact CE1-CB 3.79Å; F365-W369 HydrophobicContact CE1-CD2 4.04Å; F365-W369 AromaticContact CE1-CE3 3.7Å; F365-W369 HydrophobicContact CE1-CE3 3.7Å; F365-W369 HydrophobicContact CE1-CG 4.1Å; F365-W369 HydrophobicContact CZ-CB 4.04Å; F365-W369 HydrophobicContact CZ-CG 4.42Å; F365-W369 PolarHBondContact O-N 3.32Å; F365-F375 HydrophobicContact CD2-CE2 4.38Å; F365-F375 HydrophobicContact CE2-CD1 4.18Å; F365-F375 AromaticContact CE2-CD2 3.8Å; F365-F375 HydrophobicContact CE2-CD2 3.8Å; F365-F375 HydrophobicContact CE2-CE1 4.1Å; F365-F375 AromaticContact CE2-CE2 3.68Å; F365-F375 HydrophobicContact CE2-CE2 3.68Å; F365-F375 HydrophobicContact CE2-CG 4.05Å; F365-F375 AromaticContact CE2-CZ 3.85Å; F365-F375 HydrophobicContact CE2-CZ 3.85Å; F365-F375 HydrophobicContact CZ-CB 4.41Å; F365-F375 HydrophobicContact CZ-CD1 4.25Å; F365-F375 HydrophobicContact CZ-CD2 4.09Å; F365-F375 HydrophobicContact CZ-CE2 4.42Å; F365-F375 AromaticContact CZ-CG 3.99Å; F365-F375 HydrophobicContact CZ-CG 3.99Å; F365-Y429 AromaticContact CE1-CD1 3.76Å; F365-Y429 HydrophobicContact CE1-CD1 3.76Å; F365-Y429 HydrophobicContact CE1-CD2 4.25Å; F365-Y429 AromaticContact CE1-CE1 3.98Å; F365-Y429 HydrophobicContact CE1-CE1 3.98Å; F365-Y429 HydrophobicContact CE1-CE2 4.45Å; F365-Y429 AromaticContact CE1-CG 3.89Å; F365-Y429 HydrophobicContact CE1-CG 3.89Å; F365-Y429 AromaticContact CZ-CD1 3.72Å; F365-Y429 HydrophobicContact CZ-CD1 3.72Å; F365-Y429 HydrophobicContact CZ-CD2 4.1Å; F365-Y429 HydrophobicContact CZ-CE1 4.4Å; F365-Y429 AromaticContact CZ-CG 3.54Å; F365-Y429 HydrophobicContact CZ-CG 3.54Å |
| 366 | G | 95.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -25.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R362 P363 N370 V371 | R362-G366 PolarHBondContact O-N 3.49Å; P363-G366 PolarHBondContact O-N 2.85Å; G366-N370 WeakPolarHBondContact O-CA 3.11Å; G366-N370 VanDerWaalsContact O-CB 3.31Å; G366-N370 WeakPolarHBondContact O-CB 3.42Å; G366-N370 PolarHBondContact O-N 2.95Å; G366-V371 PolarHBondContact O-N 3.04Å |
| 367 | F | 93.9 | Very high | 95.7 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -65.8 | -46.2 | 169.7 | 175.1 | -100.2 | 0 | 0 | 0 | 112 | P363 A364 F365 V371 K372 | P363-F367 PolarHBondContact O-N 3.41Å; A364-F367 WeakPolarHBondContact O-CB 3.5Å; A364-F367 PolarHBondContact O-N 3.13Å; F365-F367 PolarHBondContact O-N 3.17Å; F365-F367 VanDerWaalsContact O-N 3.14Å; F367-V371 HydrophobicContact CD2-CB 4.03Å; F367-V371 HydrophobicContact CD2-CG1 4.05Å; F367-V371 HydrophobicContact CD2-CG2 4.37Å; F367-V371 HydrophobicContact CE2-CG1 4.13Å; F367-V371 WeakPolarHBondContact O-CB 3.22Å; F367-V371 PolarHBondContact O-N 3.41Å; F367-K372 HydrophobicContact CD1-CG 4.34Å; F367-K372 HydrophobicContact CE1-CG 3.94Å; F367-K372 HydrophobicContact CE2-CG 4.42Å; F367-K372 HydrophobicContact CZ-CD 4.3Å; F367-K372 VanDerWaalsContact CZ-CE 3.4Å; F367-K372 HydrophobicContact CZ-CG 3.99Å; F367-K372 WeakPolarHBondContact O-CB 3.24Å; F367-K372 WeakPolarHBondContact O-CG 3.44Å; F367-K372 PolarHBondContact O-N 3.46Å |
| 368 | Y | 96.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -69.9 | -38.8 | 177.4 | -62.9 | -50.8 | 0 | 0 | 0 | 112.5 | F287 A302 L305 F360 F365 G373 F374 | F287-Y368 HydrophobicContact CD2-CD1 4.29Å; F287-Y368 AromaticContact CE2-CD1 3.51Å; F287-Y368 HydrophobicContact CE2-CD1 3.51Å; F287-Y368 HydrophobicContact CE2-CD2 4.27Å; F287-Y368 AromaticContact CE2-CE1 3.79Å; F287-Y368 HydrophobicContact CE2-CE1 3.79Å; F287-Y368 HydrophobicContact CE2-CE2 4.49Å; F287-Y368 AromaticContact CE2-CG 3.78Å; F287-Y368 HydrophobicContact CE2-CG 3.78Å; F287-Y368 HydrophobicContact CZ-CD1 4.23Å; F287-Y368 HydrophobicContact CZ-CD2 4.35Å; F287-Y368 HydrophobicContact CZ-CG 4.02Å; A302-Y368 HydrophobicContact CB-CE2 4.38Å; L305-Y368 HydrophobicContact CD1-CD2 4.33Å; L305-Y368 HydrophobicContact CD1-CE2 4.29Å; F360-Y368 HydrophobicContact CE1-CD2 4.28Å; F360-Y368 HydrophobicContact CE1-CE2 4.07Å; F360-Y368 HydrophobicContact CZ-CD2 4.45Å; F360-Y368 AromaticContact CZ-CE2 3.83Å; F360-Y368 HydrophobicContact CZ-CE2 3.83Å; F365-Y368 PolarHBondContact O-N 2.85Å; Y368-G373 PolarHBondContact O-N 2.88Å; Y368-F374 HydrophobicContact CD1-CD2 4.06Å; Y368-F374 HydrophobicContact CD1-CE2 4.17Å; Y368-F374 PolarHBondContact O-N 3.33Å |
| 369 | W | 97.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 25% | 0.254 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -80 | -64.6 | -177.8 | -179.4 | 27.9 | 0 | 0 | 0 | 112.6 | F365 G373 F375 K377 Y429 | F365-W369 HydrophobicContact CD1-CB 4.27Å; F365-W369 HydrophobicContact CD1-CE3 4.25Å; F365-W369 HydrophobicContact CE1-CB 3.79Å; F365-W369 HydrophobicContact CE1-CD2 4.04Å; F365-W369 AromaticContact CE1-CE3 3.7Å; F365-W369 HydrophobicContact CE1-CE3 3.7Å; F365-W369 HydrophobicContact CE1-CG 4.1Å; F365-W369 HydrophobicContact CZ-CB 4.04Å; F365-W369 HydrophobicContact CZ-CG 4.42Å; F365-W369 PolarHBondContact O-N 3.32Å; W369-G373 WeakPolarHBondContact O-CA 3.39Å; W369-G373 PolarHBondContact O-N 2.85Å; W369-F375 HydrophobicContact CB-CB 4.1Å; W369-F375 HydrophobicContact CB-CD2 4.37Å; W369-F375 HydrophobicContact CG-CB 4Å; W369-F375 PolarHBondContact NE1-O 3.41Å; W369-K377 HydrophobicContact CH2-CD 4.07Å; W369-K377 HydrophobicContact CZ2-CB 3.82Å; W369-K377 HydrophobicContact CZ2-CD 4Å; W369-K377 HydrophobicContact CZ2-CG 4.33Å; W369-Y429 HydrophobicContact CD2-CD1 4.04Å; W369-Y429 AromaticContact CD2-CE1 3.86Å; W369-Y429 HydrophobicContact CD2-CE1 3.86Å; W369-Y429 AromaticContact CE2-CE1 3.86Å; W369-Y429 HydrophobicContact CE3-CD1 4.22Å; W369-Y429 AromaticContact CE3-CE1 3.65Å; W369-Y429 HydrophobicContact CE3-CE1 3.65Å; W369-Y429 AromaticContact CH2-CE1 3.56Å; W369-Y429 HydrophobicContact CH2-CE1 3.56Å; W369-Y429 HydrophobicContact CZ2-CD1 4.33Å; W369-Y429 AromaticContact CZ2-CE1 3.73Å; W369-Y429 HydrophobicContact CZ2-CE1 3.73Å; W369-Y429 HydrophobicContact CZ3-CD1 4.46Å; W369-Y429 AromaticContact CZ3-CE1 3.5Å; W369-Y429 HydrophobicContact CZ3-CE1 3.5Å; W369-Y429 VanDerWaalsContact CZ3-CE1 3.5Å |
| 370 | N | 95.9 | Very high | 96.2 | Very high | 111 Ų | 111 | 48 Ų | 48 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | I | π-helix | trans | -82.5 | -37.5 | -169.6 | -56.5 | -37.2 | 0 | 0 | 0 | 113 | G366 | G366-N370 WeakPolarHBondContact O-CA 3.11Å; G366-N370 VanDerWaalsContact O-CB 3.31Å; G366-N370 WeakPolarHBondContact O-CB 3.42Å; G366-N370 PolarHBondContact O-N 2.95Å |
| 371 | V | 95.3 | Very high | 96.5 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 62% | 0.618 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -85.6 | -39.6 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | G366 F367 | G366-V371 PolarHBondContact O-N 3.04Å; F367-V371 HydrophobicContact CD2-CB 4.03Å; F367-V371 HydrophobicContact CD2-CG1 4.05Å; F367-V371 HydrophobicContact CD2-CG2 4.37Å; F367-V371 HydrophobicContact CE2-CG1 4.13Å; F367-V371 WeakPolarHBondContact O-CB 3.22Å; F367-V371 PolarHBondContact O-N 3.41Å |
| 372 | K | 95.7 | Very high | 96.8 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -17.3 | -178.6 | -66.1 | -59.8 | -175.7 | -178.2 | 0 | 114.8 | F299 F367 F374 | F299-K372 HydrophobicContact CZ-CD 4.4Å; F367-K372 HydrophobicContact CD1-CG 4.34Å; F367-K372 HydrophobicContact CE1-CG 3.94Å; F367-K372 HydrophobicContact CE2-CG 4.42Å; F367-K372 HydrophobicContact CZ-CD 4.3Å; F367-K372 VanDerWaalsContact CZ-CE 3.4Å; F367-K372 HydrophobicContact CZ-CG 3.99Å; F367-K372 WeakPolarHBondContact O-CB 3.24Å; F367-K372 WeakPolarHBondContact O-CG 3.44Å; F367-K372 PolarHBondContact O-N 3.46Å; K372-F374 VanDerWaalsContact C-N 3.27Å; K372-F374 HydrophobicContact CB-CD1 4.13Å; K372-F374 HydrophobicContact CB-CD2 3.63Å; K372-F374 HydrophobicContact CB-CE1 3.92Å; K372-F374 HydrophobicContact CB-CE2 3.42Å; K372-F374 VanDerWaalsContact CB-CE2 3.42Å; K372-F374 HydrophobicContact CB-CG 3.99Å; K372-F374 HydrophobicContact CB-CZ 3.57Å; K372-F374 HydrophobicContact CD-CE2 4.49Å; K372-F374 HydrophobicContact CD-CZ 4.22Å; K372-F374 HydrophobicContact CG-CD2 4.39Å; K372-F374 HydrophobicContact CG-CE2 3.78Å; K372-F374 HydrophobicContact CG-CZ 3.96Å; K372-F374 PolarHBondContact O-N 3.31Å |
| 373 | G | 97.7 | Very high | 97 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | trans | 69.5 | 21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y368 W369 | Y368-G373 PolarHBondContact O-N 2.88Å; W369-G373 WeakPolarHBondContact O-CA 3.39Å; W369-G373 PolarHBondContact O-N 2.85Å | ||
| 374 | F | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | trans | -77.6 | -25.2 | -176.4 | -61.1 | -32.7 | 0 | 0 | 0 | 113.8 | F287 D289 F299 Y368 K372 A431 | F287-F374 HydrophobicContact CB-CB 4.49Å; F287-F374 HydrophobicContact CB-CD1 4.21Å; F287-F374 HydrophobicContact CB-CD2 3.91Å; F287-F374 HydrophobicContact CB-CE1 4.41Å; F287-F374 HydrophobicContact CB-CE2 4.11Å; F287-F374 HydrophobicContact CB-CG 3.96Å; F287-F374 HydrophobicContact CB-CZ 4.36Å; F287-F374 HydrophobicContact CD1-CB 3.78Å; F287-F374 HydrophobicContact CD1-CD2 4.03Å; F287-F374 HydrophobicContact CD1-CG 4.06Å; F287-F374 AromaticContact CD2-CD2 3.3Å; F287-F374 HydrophobicContact CD2-CD2 3.3Å; F287-F374 AromaticContact CD2-CE2 3.58Å; F287-F374 HydrophobicContact CD2-CE2 3.58Å; F287-F374 HydrophobicContact CD2-CG 4.1Å; F287-F374 HydrophobicContact CE1-CB 4.08Å; F287-F374 HydrophobicContact CE1-CD2 4.38Å; F287-F374 AromaticContact CE2-CD2 3.68Å; F287-F374 HydrophobicContact CE2-CD2 3.68Å; F287-F374 HydrophobicContact CE2-CE2 4.2Å; F287-F374 HydrophobicContact CG-CB 4.06Å; F287-F374 AromaticContact CG-CD2 3.49Å; F287-F374 HydrophobicContact CG-CD2 3.49Å; F287-F374 VanDerWaalsContact CG-CD2 3.49Å; F287-F374 AromaticContact CG-CE2 4Å; F287-F374 HydrophobicContact CG-CE2 4Å; F287-F374 AromaticContact CG-CG 3.8Å; F287-F374 HydrophobicContact CG-CG 3.8Å; F287-F374 HydrophobicContact CZ-CD2 4.23Å; D289-F374 HydrophobicContact CB-CD1 4.39Å; D289-F374 HydrophobicContact CB-CE1 3.94Å; F299-F374 HydrophobicContact CB-CE2 3.58Å; F299-F374 HydrophobicContact CB-CZ 3.62Å; F299-F374 HydrophobicContact CD1-CE2 4.43Å; F299-F374 HydrophobicContact CD1-CZ 4.45Å; F299-F374 HydrophobicContact CD2-CE2 4.27Å; F299-F374 AromaticContact CD2-CZ 3.54Å; F299-F374 HydrophobicContact CD2-CZ 3.54Å; F299-F374 HydrophobicContact CE2-CZ 4.34Å; F299-F374 AromaticContact CG-CE2 3.85Å; F299-F374 HydrophobicContact CG-CE2 3.85Å; F299-F374 AromaticContact CG-CZ 3.6Å; F299-F374 HydrophobicContact CG-CZ 3.6Å; Y368-F374 HydrophobicContact CD1-CD2 4.06Å; Y368-F374 HydrophobicContact CD1-CE2 4.17Å; Y368-F374 PolarHBondContact O-N 3.33Å; K372-F374 VanDerWaalsContact C-N 3.27Å; K372-F374 HydrophobicContact CB-CD1 4.13Å; K372-F374 HydrophobicContact CB-CD2 3.63Å; K372-F374 HydrophobicContact CB-CE1 3.92Å; K372-F374 HydrophobicContact CB-CE2 3.42Å; K372-F374 VanDerWaalsContact CB-CE2 3.42Å; K372-F374 HydrophobicContact CB-CG 3.99Å; K372-F374 HydrophobicContact CB-CZ 3.57Å; K372-F374 HydrophobicContact CD-CE2 4.49Å; K372-F374 HydrophobicContact CD-CZ 4.22Å; K372-F374 HydrophobicContact CG-CD2 4.39Å; K372-F374 HydrophobicContact CG-CE2 3.78Å; K372-F374 HydrophobicContact CG-CZ 3.96Å; K372-F374 PolarHBondContact O-N 3.31Å; F374-A431 WeakPolarHBondContact O-CB 3.38Å | ||
| 375 | F | 98.7 | Very high | 97.6 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | trans | -104.6 | 137.5 | -177.5 | -75.2 | -87.8 | 0 | 0 | 0 | 111.4 | F287 L305 L350 L352 F365 W369 V430 A431 | F287-F375 HydrophobicContact CE1-CD2 4.38Å; F287-F375 AromaticContact CE1-CE2 3.57Å; F287-F375 HydrophobicContact CE1-CE2 3.57Å; F287-F375 AromaticContact CE1-CZ 3.75Å; F287-F375 HydrophobicContact CE1-CZ 3.75Å; F287-F375 AromaticContact CZ-CE2 3.57Å; F287-F375 HydrophobicContact CZ-CE2 3.57Å; F287-F375 AromaticContact CZ-CZ 3.96Å; F287-F375 HydrophobicContact CZ-CZ 3.96Å; L305-F375 HydrophobicContact CD1-CZ 4.45Å; L350-F375 HydrophobicContact CD2-CE1 4.46Å; L350-F375 HydrophobicContact CD2-CZ 4.06Å; L350-F375 HydrophobicContact CG-CE1 4.49Å; L352-F375 HydrophobicContact CD1-CE1 3.46Å; L352-F375 VanDerWaalsContact CD1-CE1 3.46Å; L352-F375 HydrophobicContact CD1-CZ 3.72Å; F365-F375 HydrophobicContact CD2-CE2 4.38Å; F365-F375 HydrophobicContact CE2-CD1 4.18Å; F365-F375 AromaticContact CE2-CD2 3.8Å; F365-F375 HydrophobicContact CE2-CD2 3.8Å; F365-F375 HydrophobicContact CE2-CE1 4.1Å; F365-F375 AromaticContact CE2-CE2 3.68Å; F365-F375 HydrophobicContact CE2-CE2 3.68Å; F365-F375 HydrophobicContact CE2-CG 4.05Å; F365-F375 AromaticContact CE2-CZ 3.85Å; F365-F375 HydrophobicContact CE2-CZ 3.85Å; F365-F375 HydrophobicContact CZ-CB 4.41Å; F365-F375 HydrophobicContact CZ-CD1 4.25Å; F365-F375 HydrophobicContact CZ-CD2 4.09Å; F365-F375 HydrophobicContact CZ-CE2 4.42Å; F365-F375 AromaticContact CZ-CG 3.99Å; F365-F375 HydrophobicContact CZ-CG 3.99Å; W369-F375 HydrophobicContact CB-CB 4.1Å; W369-F375 HydrophobicContact CB-CD2 4.37Å; W369-F375 HydrophobicContact CG-CB 4Å; W369-F375 PolarHBondContact NE1-O 3.41Å; F375-V430 CarbonylContact C-O 3.52Å; F375-V430 WeakPolarHBondContact CA-O 3.3Å; F375-A431 HydrophobicContact CD1-CB 3.6Å; F375-A431 HydrophobicContact CD2-CB 4.31Å; F375-A431 HydrophobicContact CE1-CB 3.54Å; F375-A431 HydrophobicContact CE2-CB 4.28Å; F375-A431 HydrophobicContact CG-CB 3.99Å; F375-A431 HydrophobicContact CZ-CB 3.91Å | ||
| 376 | T | 98.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.2 | 163.5 | -59.5 | 0 | 0 | 0 | 0 | 108.2 | V387 Y429 V430 | T376-V387 HydrophobicContact CG2-CG1 4.05Å; T376-V387 HydrophobicContact CG2-CG2 4.11Å; T376-Y429 WeakPolarHBondContact O-CA 3.44Å; T376-V430 PolarHBondContact N-O 3Å; T376-V430 PolarHBondContact O-N 2.99Å |
| 377 | K | 98.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 53.5 Ų | 53.5 | 35% | 0.352 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.3 | 171.8 | -170.8 | -172.6 | -179.3 | -132.3 | 0 | 109.6 | W369 D379 F428 Y429 | W369-K377 HydrophobicContact CH2-CD 4.07Å; W369-K377 HydrophobicContact CZ2-CB 3.82Å; W369-K377 HydrophobicContact CZ2-CD 4Å; W369-K377 HydrophobicContact CZ2-CG 4.33Å; K377-D379 WeakPolarHBondContact CE-OD1 3.47Å; K377-D379 IonicContact NZ-OD1 2.74Å; K377-D379 PolarHBondContact NZ-OD1 3.31Å; K377-F428 CarbonylContact C-O 3.47Å; K377-F428 WeakPolarHBondContact CA-O 3.5Å; K377-Y429 HydrophobicContact CB-CD1 4.15Å; K377-Y429 HydrophobicContact CB-CE1 4.12Å; K377-Y429 HydrophobicContact CD-CE1 4.11Å; K377-Y429 HydrophobicContact CG-CD1 4.13Å; K377-Y429 HydrophobicContact CG-CE1 3.78Å |
| 378 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | D380 K383 L384 P427 F428 | A378-D380 VanDerWaalsContact C-N 3.31Å; A378-D380 PolarHBondContact O-N 2.94Å; A378-K383 HydrophobicContact CB-CB 3.93Å; A378-K383 HydrophobicContact CB-CG 3.88Å; A378-L384 HydrophobicContact CB-CB 3.9Å; A378-P427 WeakPolarHBondContact O-CA 3.31Å; A378-F428 HydrophobicContact CB-CB 4.39Å; A378-F428 PolarHBondContact N-O 3.06Å; A378-F428 PolarHBondContact O-N 2.89Å |
| 379 | D | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.4 | -19.6 | -173.6 | -68.7 | -38.6 | 0 | 0 | 0 | 113.4 | K377 E426 | K377-D379 WeakPolarHBondContact CE-OD1 3.47Å; K377-D379 IonicContact NZ-OD1 2.74Å; K377-D379 PolarHBondContact NZ-OD1 3.31Å; D379-E426 CarbonylContact O-C 3.5Å |
| 380 | D | 98.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -154.1 | -180 | 174.6 | 61 | 15.8 | 0 | 0 | 0 | 111.4 | A378 E382 K383 L384 K425 E426 | A378-D380 VanDerWaalsContact C-N 3.31Å; A378-D380 PolarHBondContact O-N 2.94Å; D380-E382 VanDerWaalsContact C-N 3.31Å; D380-E382 VanDerWaalsContact CG-OE2 3.28Å; D380-E382 PolarHBondContact O-N 3.06Å; D380-E382 PolarHBondContact OD1-N 3.48Å; D380-K383 PolarHBondContact O-N 2.85Å; D380-K383 WeakPolarHBondContact OD1-CB 3.38Å; D380-K383 PolarHBondContact OD1-N 3.42Å; D380-L384 PolarHBondContact O-N 3.14Å; D380-K425 HydrophobicContact CB-CD 4.36Å; D380-K425 IonicContact OD2-NZ 3.63Å; D380-E426 WeakPolarHBondContact CA-O 3.44Å |
| 381 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -32 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L384 A385 W424 | G381-L384 PolarHBondContact O-N 3.25Å; G381-A385 WeakPolarHBondContact O-CB 3.08Å; G381-A385 PolarHBondContact O-N 3.32Å; G381-W424 PolarHBondContact N-O 3.07Å; G381-W424 WeakPolarHBondContact O-CH2 3.32Å |
| 382 | E | 98.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 172.7 | -71.6 | 85.2 | 170.9 | 0 | 0 | 110.9 | D380 L384 A385 E386 W424 K425 | D380-E382 VanDerWaalsContact C-N 3.31Å; D380-E382 VanDerWaalsContact CG-OE2 3.28Å; D380-E382 PolarHBondContact O-N 3.06Å; D380-E382 PolarHBondContact OD1-N 3.48Å; E382-L384 VanDerWaalsContact C-N 3.31Å; E382-L384 PolarHBondContact O-N 3Å; E382-A385 PolarHBondContact O-N 3.39Å; E382-E386 PolarHBondContact O-N 3.45Å; E382-E386 VanDerWaalsContact O-N 3.08Å; E382-W424 HydrophobicContact CB-CZ2 4.47Å; E382-W424 HydrophobicContact CG-CZ2 3.91Å; E382-W424 VanDerWaalsContact N-CZ2 3.31Å; E382-W424 PolarHBondContact OE1-NE1 2.86Å; E382-W424 PolarHBondContact OE2-NE1 2.91Å; E382-K425 IonicContact OE1-NZ 2.76Å; E382-K425 PolarHBondContact OE1-NZ 2.89Å; E382-K425 IonicContact OE2-NZ 2.73Å; E382-K425 PolarHBondContact OE2-NZ 3.33Å |
| 383 | K | 98.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 178 | -171.7 | 60.8 | -179 | -178.9 | 0 | 111.7 | A378 D380 E386 V387 | A378-K383 HydrophobicContact CB-CB 3.93Å; A378-K383 HydrophobicContact CB-CG 3.88Å; D380-K383 PolarHBondContact O-N 2.85Å; D380-K383 WeakPolarHBondContact OD1-CB 3.38Å; D380-K383 PolarHBondContact OD1-N 3.42Å; K383-E386 VanDerWaalsContact CD-OE2 3.25Å; K383-E386 WeakPolarHBondContact CD-OE2 3.03Å; K383-E386 IonicContact NZ-OE1 3.73Å; K383-E386 PolarHBondContact NZ-OE1 3.21Å; K383-E386 IonicContact NZ-OE2 2.71Å; K383-E386 PolarHBondContact NZ-OE2 3.09Å; K383-E386 WeakPolarHBondContact O-CB 3.31Å; K383-E386 PolarHBondContact O-N 2.98Å; K383-V387 VanDerWaalsContact O-CG2 3.28Å; K383-V387 WeakPolarHBondContact O-CG2 3.31Å; K383-V387 PolarHBondContact O-N 2.92Å |
| 384 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.2 | 178.3 | 62 | 0 | 0 | 0 | 111 | V351 A378 D380 G381 E382 E386 V387 I388 L395 F428 V430 | V351-L384 HydrophobicContact CG1-CD1 4.39Å; V351-L384 HydrophobicContact CG1-CD2 3.84Å; V351-L384 HydrophobicContact CG2-CD1 4.35Å; A378-L384 HydrophobicContact CB-CB 3.9Å; D380-L384 PolarHBondContact O-N 3.14Å; G381-L384 PolarHBondContact O-N 3.25Å; E382-L384 VanDerWaalsContact C-N 3.31Å; E382-L384 PolarHBondContact O-N 3Å; L384-E386 VanDerWaalsContact C-N 3.32Å; L384-E386 PolarHBondContact O-N 2.81Å; L384-V387 PolarHBondContact O-N 2.95Å; L384-I388 HydrophobicContact CD1-CD1 3.84Å; L384-I388 HydrophobicContact CD1-CG1 4.22Å; L384-I388 HydrophobicContact CG-CD1 3.99Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.49Å; L384-L395 HydrophobicContact CB-CD2 4.07Å; L384-L395 HydrophobicContact CD2-CD2 3.8Å; L384-L395 HydrophobicContact CG-CD2 3.72Å; L384-F428 HydrophobicContact CB-CB 4.38Å; L384-F428 HydrophobicContact CB-CD2 4.28Å; L384-F428 HydrophobicContact CB-CG 4.41Å; L384-F428 HydrophobicContact CD1-CB 4.21Å; L384-F428 HydrophobicContact CD2-CB 3.93Å; L384-F428 HydrophobicContact CD2-CD1 3.7Å; L384-F428 HydrophobicContact CD2-CD2 4.11Å; L384-F428 HydrophobicContact CD2-CE1 4.19Å; L384-F428 HydrophobicContact CD2-CG 3.65Å; L384-F428 HydrophobicContact CG-CB 4.4Å; L384-F428 HydrophobicContact CG-CG 4.49Å; L384-V430 HydrophobicContact CD1-CB 3.78Å; L384-V430 HydrophobicContact CD1-CG1 3.88Å; L384-V430 HydrophobicContact CD1-CG2 4.34Å |
| 385 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G381 E382 I388 G389 V390 L395 | G381-A385 WeakPolarHBondContact O-CB 3.08Å; G381-A385 PolarHBondContact O-N 3.32Å; E382-A385 PolarHBondContact O-N 3.39Å; A385-I388 PolarHBondContact O-N 3.32Å; A385-G389 PolarHBondContact O-N 2.93Å; A385-V390 HydrophobicContact CB-CG2 4.16Å; A385-V390 PolarHBondContact O-N 2.84Å; A385-L395 HydrophobicContact CB-CB 4.4Å; A385-L395 HydrophobicContact CB-CD2 3.83Å |
| 386 | E | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 174 | -170 | -162.4 | 140.1 | 0 | 0 | 112 | E382 K383 L384 I388 G389 | E382-E386 PolarHBondContact O-N 3.45Å; E382-E386 VanDerWaalsContact O-N 3.08Å; K383-E386 VanDerWaalsContact CD-OE2 3.25Å; K383-E386 WeakPolarHBondContact CD-OE2 3.03Å; K383-E386 IonicContact NZ-OE1 3.73Å; K383-E386 PolarHBondContact NZ-OE1 3.21Å; K383-E386 IonicContact NZ-OE2 2.71Å; K383-E386 PolarHBondContact NZ-OE2 3.09Å; K383-E386 WeakPolarHBondContact O-CB 3.31Å; K383-E386 PolarHBondContact O-N 2.98Å; L384-E386 VanDerWaalsContact C-N 3.32Å; L384-E386 PolarHBondContact O-N 2.81Å; E386-I388 VanDerWaalsContact C-N 3.33Å; E386-I388 PolarHBondContact O-N 2.74Å; E386-G389 PolarHBondContact O-N 3.18Å |
| 387 | V | 98.3 | Very high | 98.6 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | -178.8 | 172.9 | 0 | 0 | 0 | 0 | 112 | T376 K383 L384 V430 | T376-V387 HydrophobicContact CG2-CG1 4.05Å; T376-V387 HydrophobicContact CG2-CG2 4.11Å; K383-V387 VanDerWaalsContact O-CG2 3.28Å; K383-V387 WeakPolarHBondContact O-CG2 3.31Å; K383-V387 PolarHBondContact O-N 2.92Å; L384-V387 PolarHBondContact O-N 2.95Å; V387-V430 HydrophobicContact CB-CG1 4.29Å; V387-V430 HydrophobicContact CG1-CG1 3.46Å; V387-V430 VanDerWaalsContact CG1-CG1 3.46Å |
| 388 | I | 98.1 | Very high | 98.6 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.3 | -31.5 | 176.4 | -63.3 | 173.9 | 0 | 0 | 0 | 111.1 | L313 F349 V351 L384 A385 E386 V390 V430 | L313-I388 HydrophobicContact CD1-CD1 3.78Å; F349-I388 HydrophobicContact CD1-CG1 4.09Å; F349-I388 HydrophobicContact CD1-CG2 4.46Å; F349-I388 HydrophobicContact CD2-CG2 3.96Å; F349-I388 HydrophobicContact CE1-CG1 4.45Å; F349-I388 HydrophobicContact CE1-CG2 4.36Å; F349-I388 HydrophobicContact CE2-CG2 3.89Å; F349-I388 HydrophobicContact CG-CG1 4.24Å; F349-I388 HydrophobicContact CG-CG2 4.25Å; F349-I388 HydrophobicContact CZ-CG2 4.08Å; V351-I388 HydrophobicContact CG2-CD1 4.41Å; L384-I388 HydrophobicContact CD1-CD1 3.84Å; L384-I388 HydrophobicContact CD1-CG1 4.22Å; L384-I388 HydrophobicContact CG-CD1 3.99Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.49Å; A385-I388 PolarHBondContact O-N 3.32Å; E386-I388 VanDerWaalsContact C-N 3.33Å; E386-I388 PolarHBondContact O-N 2.74Å; I388-V390 HydrophobicContact CB-CG2 4.16Å; I388-V390 HydrophobicContact CG2-CG1 3.75Å; I388-V390 HydrophobicContact CG2-CG2 4.08Å; I388-V430 HydrophobicContact CG1-CG2 4.25Å |
| 389 | G | 98.1 | Very high | 98.6 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 64% | 0.639 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 37.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | A385 E386 | A385-G389 PolarHBondContact O-N 2.93Å; E386-G389 PolarHBondContact O-N 3.18Å |
| 390 | V | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -126.9 | 157.5 | -174.5 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | E315 K316 A385 I388 S392 L395 | E315-V390 WeakPolarHBondContact O-CG1 3.31Å; K316-V390 VanDerWaalsContact C-CG1 3.42Å; A385-V390 HydrophobicContact CB-CG2 4.16Å; A385-V390 PolarHBondContact O-N 2.84Å; I388-V390 HydrophobicContact CB-CG2 4.16Å; I388-V390 HydrophobicContact CG2-CG1 3.75Å; I388-V390 HydrophobicContact CG2-CG2 4.08Å; V390-S392 PolarHBondContact O-N 3.47Å; V390-L395 HydrophobicContact CG2-CB 4.23Å |
| 391 | P | 98.4 | Very high | 98.6 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | trans | -62.2 | 132 | 173.4 | -21.9 | 33.7 | 0 | 0 | 0 | 112 | S393 Q394 L395 | P391-S393 PolarHBondContact O-N 3.48Å; P391-Q394 HydrophobicContact CB-CB 4.3Å; P391-Q394 WeakPolarHBondContact O-CB 3.28Å; P391-Q394 PolarHBondContact O-N 3.28Å; P391-L395 PolarHBondContact O-N 2.92Å | ||
| 392 | S | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.6 | -35.7 | 179.6 | -48.5 | 0 | 0 | 0 | 0 | 113 | V390 Q394 L395 N396 W424 | V390-S392 PolarHBondContact O-N 3.47Å; S392-Q394 PolarHBondContact O-N 3Å; S392-L395 PolarHBondContact O-N 3.13Å; S392-N396 VanDerWaalsContact O-CB 3.26Å; S392-N396 WeakPolarHBondContact O-CB 3.46Å; S392-N396 PolarHBondContact O-N 3.02Å; S392-W424 VanDerWaalsContact O-CH2 3.31Å; S392-W424 WeakPolarHBondContact O-CH2 3.42Å |
| 393 | S | 98.1 | Very high | 98.5 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.2 | -37.1 | 177 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | P391 T397 | P391-S393 PolarHBondContact O-N 3.48Å; S393-T397 PolarHBondContact O-N 3.2Å; S393-T397 VanDerWaalsContact O-N 3.12Å; S393-T397 PolarHBondContact O-OG1 3.03Å |
| 394 | Q | 98.4 | Very high | 98.5 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -48.3 | 177 | 176.7 | 57.8 | 59.9 | 0 | 0 | 110.2 | K316 P391 S392 T397 T398 | K316-Q394 WeakPolarHBondContact O-CG 3.29Å; P391-Q394 HydrophobicContact CB-CB 4.3Å; P391-Q394 WeakPolarHBondContact O-CB 3.28Å; P391-Q394 PolarHBondContact O-N 3.28Å; S392-Q394 PolarHBondContact O-N 3Å; Q394-T397 WeakPolarHBondContact O-CB 2.95Å; Q394-T397 PolarHBondContact O-N 2.92Å; Q394-T398 PolarHBondContact O-N 2.95Å; Q394-T398 VanDerWaalsContact O-N 3.09Å; Q394-T398 PolarHBondContact O-OG1 2.92Å |
| 395 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 179.6 | -178.2 | 61.1 | 0 | 0 | 0 | 111.7 | L313 L384 A385 V390 P391 S392 T397 T398 L399 W424 | L313-L395 HydrophobicContact CD1-CD1 3.55Å; L384-L395 HydrophobicContact CB-CD2 4.07Å; L384-L395 HydrophobicContact CD2-CD2 3.8Å; L384-L395 HydrophobicContact CG-CD2 3.72Å; A385-L395 HydrophobicContact CB-CB 4.4Å; A385-L395 HydrophobicContact CB-CD2 3.83Å; V390-L395 HydrophobicContact CG2-CB 4.23Å; P391-L395 PolarHBondContact O-N 2.92Å; S392-L395 PolarHBondContact O-N 3.13Å; L395-T397 VanDerWaalsContact C-N 3.27Å; L395-T397 PolarHBondContact O-N 3.1Å; L395-T398 PolarHBondContact O-N 3.24Å; L395-T398 VanDerWaalsContact O-N 3.1Å; L395-L399 HydrophobicContact CD1-CG 4.39Å; L395-L399 HydrophobicContact CG-CD1 4.45Å; L395-L399 PolarHBondContact O-N 3Å; L395-W424 HydrophobicContact CB-CZ3 4.32Å; L395-W424 HydrophobicContact CD2-CZ3 4.3Å; L395-W424 HydrophobicContact CG-CZ3 4.14Å |
| 396 | N | 98.7 | Very high | 98.4 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 177.9 | -169.8 | 25.5 | 0 | 0 | 0 | 111.7 | S392 L399 S400 W424 | S392-N396 VanDerWaalsContact O-CB 3.26Å; S392-N396 WeakPolarHBondContact O-CB 3.46Å; S392-N396 PolarHBondContact O-N 3.02Å; N396-L399 PolarHBondContact O-N 2.86Å; N396-S400 VanDerWaalsContact O-CB 3.3Å; N396-S400 WeakPolarHBondContact O-CB 3.28Å; N396-S400 PolarHBondContact O-N 3.14Å; N396-S400 PolarHBondContact O-OG 3.15Å; N396-W424 HydrophobicContact CB-CD2 4.18Å; N396-W424 HydrophobicContact CB-CE3 3.66Å; N396-W424 HydrophobicContact CB-CH2 3.95Å; N396-W424 HydrophobicContact CB-CZ2 4.42Å; N396-W424 HydrophobicContact CB-CZ3 3.54Å |
| 397 | T | 98.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 173.3 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | S393 Q394 L395 L399 S400 E401 | S393-T397 PolarHBondContact O-N 3.2Å; S393-T397 VanDerWaalsContact O-N 3.12Å; S393-T397 PolarHBondContact O-OG1 3.03Å; Q394-T397 WeakPolarHBondContact O-CB 2.95Å; Q394-T397 PolarHBondContact O-N 2.92Å; L395-T397 VanDerWaalsContact C-N 3.27Å; L395-T397 PolarHBondContact O-N 3.1Å; T397-L399 PolarHBondContact O-N 2.8Å; T397-S400 PolarHBondContact O-N 2.82Å; T397-E401 HydrophobicContact CG2-CG 4.35Å; T397-E401 WeakPolarHBondContact O-CB 3.49Å; T397-E401 WeakPolarHBondContact O-CG 3.11Å; T397-E401 PolarHBondContact O-N 2.83Å |
| 398 | T | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 179.2 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | L313 G317 R319 Q394 L395 Y402 | L313-T398 HydrophobicContact CD2-CG2 3.91Å; G317-T398 PolarHBondContact O-OG1 3.13Å; R319-T398 HydrophobicContact CB-CG2 4.32Å; R319-T398 HydrophobicContact CG-CG2 3.84Å; Q394-T398 PolarHBondContact O-N 2.95Å; Q394-T398 VanDerWaalsContact O-N 3.09Å; Q394-T398 PolarHBondContact O-OG1 2.92Å; L395-T398 PolarHBondContact O-N 3.24Å; L395-T398 VanDerWaalsContact O-N 3.1Å; T398-Y402 PolarHBondContact O-N 2.88Å; T398-Y402 VanDerWaalsContact O-N 3.13Å |
| 399 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176.1 | -62.7 | -176.9 | 0 | 0 | 0 | 111.7 | I311 L395 N396 T397 Y402 N403 F422 W424 F428 | I311-L399 HydrophobicContact CD1-CD2 3.75Å; L395-L399 HydrophobicContact CD1-CG 4.39Å; L395-L399 HydrophobicContact CG-CD1 4.45Å; L395-L399 PolarHBondContact O-N 3Å; N396-L399 PolarHBondContact O-N 2.86Å; T397-L399 PolarHBondContact O-N 2.8Å; L399-Y402 WeakPolarHBondContact O-CB 3.38Å; L399-Y402 PolarHBondContact O-N 3.01Å; L399-N403 VanDerWaalsContact O-CG 3.31Å; L399-N403 PolarHBondContact O-N 3.43Å; L399-F422 HydrophobicContact CB-CB 4.36Å; L399-F422 HydrophobicContact CD1-CB 4.33Å; L399-F422 HydrophobicContact CD2-CB 4.01Å; L399-F422 HydrophobicContact CD2-CD2 4.35Å; L399-F422 HydrophobicContact CD2-CG 4.14Å; L399-F422 HydrophobicContact CG-CB 4.46Å; L399-W424 HydrophobicContact CD1-CE3 4.22Å; L399-W424 HydrophobicContact CD1-CZ3 4.38Å; L399-F428 HydrophobicContact CD1-CE1 3.95Å; L399-F428 HydrophobicContact CD1-CZ 3.85Å |
| 400 | S | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | N396 T397 Y402 N403 E404 | N396-S400 VanDerWaalsContact O-CB 3.3Å; N396-S400 WeakPolarHBondContact O-CB 3.28Å; N396-S400 PolarHBondContact O-N 3.14Å; N396-S400 PolarHBondContact O-OG 3.15Å; T397-S400 PolarHBondContact O-N 2.82Å; S400-Y402 VanDerWaalsContact C-N 3.31Å; S400-Y402 PolarHBondContact O-N 3.44Å; S400-N403 PolarHBondContact O-N 2.8Å; S400-E404 WeakPolarHBondContact O-CG 3.26Å; S400-E404 PolarHBondContact O-N 3.33Å |
| 401 | E | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 65.6 Ų | 65.6 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 175.7 | -74.6 | 173.5 | 168 | 0 | 0 | 112.2 | T397 E404 A405 | T397-E401 HydrophobicContact CG2-CG 4.35Å; T397-E401 WeakPolarHBondContact O-CB 3.49Å; T397-E401 WeakPolarHBondContact O-CG 3.11Å; T397-E401 PolarHBondContact O-N 2.83Å; E401-E404 PolarHBondContact O-N 3.41Å; E401-A405 WeakPolarHBondContact O-CB 3.47Å; E401-A405 PolarHBondContact O-N 2.81Å |
| 402 | Y | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 174 | 179.5 | -86.5 | 0 | 0 | 0 | 112 | I311 T398 L399 S400 A405 T406 F418 T420 F422 | I311-Y402 HydrophobicContact CG2-CD2 3.96Å; I311-Y402 HydrophobicContact CG2-CE2 3.44Å; I311-Y402 VanDerWaalsContact CG2-CE2 3.44Å; T398-Y402 PolarHBondContact O-N 2.88Å; T398-Y402 VanDerWaalsContact O-N 3.13Å; L399-Y402 WeakPolarHBondContact O-CB 3.38Å; L399-Y402 PolarHBondContact O-N 3.01Å; S400-Y402 VanDerWaalsContact C-N 3.31Å; S400-Y402 PolarHBondContact O-N 3.44Å; Y402-A405 WeakPolarHBondContact O-CB 3.29Å; Y402-A405 PolarHBondContact O-N 2.9Å; Y402-T406 PolarHBondContact O-N 3.24Å; Y402-T406 PolarHBondContact O-OG1 3.22Å; Y402-F418 HydrophobicContact CD2-CD1 4.34Å; Y402-F418 HydrophobicContact CD2-CE1 4.33Å; Y402-F418 HydrophobicContact CE1-CD1 4.22Å; Y402-F418 AromaticContact CE2-CD1 3.75Å; Y402-F418 HydrophobicContact CE2-CD1 3.75Å; Y402-F418 HydrophobicContact CE2-CE1 4.04Å; Y402-F418 AromaticContact CZ-CD1 3.69Å; Y402-T420 VanDerWaalsContact CE1-O 3.31Å; Y402-T420 WeakPolarHBondContact CE1-O 3.45Å; Y402-F422 AromaticContact CD1-CD2 3.64Å; Y402-F422 HydrophobicContact CD1-CD2 3.64Å; Y402-F422 AromaticContact CD1-CE2 3.99Å; Y402-F422 HydrophobicContact CD1-CE2 3.99Å; Y402-F422 AromaticContact CE1-CD2 3.68Å; Y402-F422 HydrophobicContact CE1-CD2 3.68Å; Y402-F422 AromaticContact CE1-CE2 3.63Å; Y402-F422 HydrophobicContact CE1-CE2 3.63Å; Y402-F422 HydrophobicContact CG-CD2 4.39Å; Y402-F422 AromaticContact CZ-CE2 3.95Å |
| 403 | N | 98.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.4 | -67.9 | -12.4 | 0 | 0 | 0 | 111.6 | L399 S400 A405 T406 K407 T421 F422 | L399-N403 VanDerWaalsContact O-CG 3.31Å; L399-N403 PolarHBondContact O-N 3.43Å; S400-N403 PolarHBondContact O-N 2.8Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 2.81Å; N403-T406 WeakPolarHBondContact O-CB 3.34Å; N403-T406 PolarHBondContact O-N 2.95Å; N403-K407 PolarHBondContact O-N 2.8Å; N403-T421 WeakPolarHBondContact OD1-CA 3.33Å; N403-T421 WeakPolarHBondContact OD1-CB 3.27Å; N403-F422 PolarHBondContact ND2-O 2.8Å; N403-F422 PolarHBondContact OD1-N 2.89Å |
| 404 | E | 98.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | 174.4 | -69.4 | -50.5 | 128 | 0 | 0 | 112.7 | S400 E401 T406 K407 R408 | S400-E404 WeakPolarHBondContact O-CG 3.26Å; S400-E404 PolarHBondContact O-N 3.33Å; E401-E404 PolarHBondContact O-N 3.41Å; E404-T406 VanDerWaalsContact C-N 3.35Å; E404-K407 IonicContact OE1-NZ 2.66Å; E404-K407 PolarHBondContact OE1-NZ 3.49Å; E404-K407 IonicContact OE2-NZ 3.59Å; E404-R408 PolarHBondContact O-N 2.98Å; E404-R408 PolarHBondContact O-NE 2.82Å; E404-R408 VanDerWaalsContact O-NE 3.17Å |
| 405 | A | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E401 Y402 N403 K407 R408 R409 Q410 D411 F418 | E401-A405 WeakPolarHBondContact O-CB 3.47Å; E401-A405 PolarHBondContact O-N 2.81Å; Y402-A405 WeakPolarHBondContact O-CB 3.29Å; Y402-A405 PolarHBondContact O-N 2.9Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 2.81Å; A405-K407 VanDerWaalsContact C-N 3.31Å; A405-K407 PolarHBondContact O-N 3.47Å; A405-R408 CarbonylContact O-C 3.53Å; A405-R408 PolarHBondContact O-N 2.91Å; A405-R408 VanDerWaalsContact O-N 3.12Å; A405-R409 WeakPolarHBondContact O-CA 3.31Å; A405-R409 PolarHBondContact O-N 2.6Å; A405-Q410 WeakPolarHBondContact CA-O 3.49Å; A405-Q410 WeakPolarHBondContact CB-O 3.32Å; A405-Q410 PolarHBondContact O-N 2.86Å; A405-D411 HydrophobicContact CB-CB 3.63Å; A405-F418 HydrophobicContact CB-CE1 3.92Å; A405-F418 HydrophobicContact CB-CZ 3.98Å |
| 406 | T | 97 | Very high | 96.9 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | Y402 N403 E404 R408 R409 F418 T421 | Y402-T406 PolarHBondContact O-N 3.24Å; Y402-T406 PolarHBondContact O-OG1 3.22Å; N403-T406 WeakPolarHBondContact O-CB 3.34Å; N403-T406 PolarHBondContact O-N 2.95Å; E404-T406 VanDerWaalsContact C-N 3.35Å; T406-R408 VanDerWaalsContact C-N 3.32Å; T406-R408 PolarHBondContact O-N 2.82Å; T406-R409 PolarHBondContact O-N 2.93Å; T406-F418 HydrophobicContact CG2-CB 3.72Å; T406-F418 HydrophobicContact CG2-CG 4.36Å; T406-F418 WeakPolarHBondContact OG1-CD1 3.46Å; T406-T421 HydrophobicContact CG2-CG2 3.82Å |
| 407 | K | 96.1 | Very high | 96.6 | Very high | 149 Ų | 149 | 66.9 Ų | 66.9 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | 175.3 | -64.4 | 172.5 | -173.2 | 171.6 | 0 | 112.5 | N403 E404 A405 | N403-K407 PolarHBondContact O-N 2.8Å; E404-K407 IonicContact OE1-NZ 2.66Å; E404-K407 PolarHBondContact OE1-NZ 3.49Å; E404-K407 IonicContact OE2-NZ 3.59Å; A405-K407 VanDerWaalsContact C-N 3.31Å; A405-K407 PolarHBondContact O-N 3.47Å |
| 408 | R | 94.9 | Very high | 96.4 | Very high | 171 Ų | 171 | 65 Ų | 65 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84 | -12.2 | 179.9 | -65.6 | 177.9 | -69.7 | 163.6 | 0.4 | 113.6 | E404 A405 T406 Q410 | E404-R408 PolarHBondContact O-N 2.98Å; E404-R408 PolarHBondContact O-NE 2.82Å; E404-R408 VanDerWaalsContact O-NE 3.17Å; A405-R408 CarbonylContact O-C 3.53Å; A405-R408 PolarHBondContact O-N 2.91Å; A405-R408 VanDerWaalsContact O-N 3.12Å; T406-R408 VanDerWaalsContact C-N 3.32Å; T406-R408 PolarHBondContact O-N 2.82Å; R408-Q410 PolarHBondContact O-N 3.21Å |
| 409 | R | 92.7 | Very high | 96.2 | Very high | 193 Ų | 193 | 67.5 Ų | 67.5 | 73% | 0.728 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 31.3 | -170 | -57.7 | -174.9 | 174.2 | -163.5 | -1.4 | 113.4 | A405 T406 T416 | A405-R409 WeakPolarHBondContact O-CA 3.31Å; A405-R409 PolarHBondContact O-N 2.6Å; T406-R409 PolarHBondContact O-N 2.93Å; R409-T416 WeakPolarHBondContact O-CA 3.24Å |
| 410 | Q | 95.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 68.1 Ų | 68.1 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | trans | -158.4 | 137.2 | 176.6 | -165.5 | 172.6 | 27.8 | 0 | 0 | 110.6 | A405 R408 K415 | A405-Q410 WeakPolarHBondContact CA-O 3.49Å; A405-Q410 WeakPolarHBondContact CB-O 3.32Å; A405-Q410 PolarHBondContact O-N 2.86Å; R408-Q410 PolarHBondContact O-N 3.21Å; Q410-K415 VanDerWaalsContact CA-O 3.27Å; Q410-K415 WeakPolarHBondContact CA-O 3.34Å | ||
| 411 | D | 96.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | trans | -117.6 | 177.8 | 167.4 | 71 | 11 | 0 | 0 | 0 | 112.6 | R319 A405 F413 G414 K415 F418 | R319-D411 IonicContact CZ-OD2 3.66Å; R319-D411 VanDerWaalsContact CZ-OD2 3.27Å; R319-D411 IonicContact NH1-OD2 3.59Å; R319-D411 PolarHBondContact NH1-OD2 3.17Å; R319-D411 IonicContact NH2-OD2 3.19Å; R319-D411 PolarHBondContact NH2-OD2 2.67Å; A405-D411 HydrophobicContact CB-CB 3.63Å; D411-F413 PolarHBondContact O-N 3.34Å; D411-F413 VanDerWaalsContact OD1-CA 3.3Å; D411-F413 WeakPolarHBondContact OD1-CA 3.23Å; D411-F413 WeakPolarHBondContact OD1-CB 3.45Å; D411-F413 PolarHBondContact OD1-N 2.71Å; D411-F413 WeakPolarHBondContact OD2-CD2 3.5Å; D411-G414 PolarHBondContact O-N 3.3Å; D411-G414 VanDerWaalsContact O-N 3.13Å; D411-G414 PolarHBondContact OD1-N 3.25Å; D411-K415 VanDerWaalsContact CG-CB 3.49Å; D411-K415 PolarHBondContact N-O 3.32Å; D411-K415 VanDerWaalsContact OD1-CB 3.26Å; D411-K415 WeakPolarHBondContact OD1-CB 3.49Å; D411-K415 PolarHBondContact OD1-N 3.21Å; D411-K415 WeakPolarHBondContact OD2-CB 3.21Å; D411-F418 HydrophobicContact CB-CZ 4.16Å | ||
| 412 | S | 95.1 | Very high | 96.1 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 79% | 0.79 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.9 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 114 | ||
| 413 | F | 97.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3 | 176.6 | -48.9 | -64.4 | 0 | 0 | 0 | 112.5 | R319 N322 D411 K415 | R319-F413 HydrophobicContact CB-CE2 3.81Å; R319-F413 HydrophobicContact CB-CZ 4.28Å; R319-F413 WeakPolarHBondContact O-CZ 3.4Å; N322-F413 HydrophobicContact CB-CB 4.14Å; D411-F413 PolarHBondContact O-N 3.34Å; D411-F413 VanDerWaalsContact OD1-CA 3.3Å; D411-F413 WeakPolarHBondContact OD1-CA 3.23Å; D411-F413 WeakPolarHBondContact OD1-CB 3.45Å; D411-F413 PolarHBondContact OD1-N 2.71Å; D411-F413 WeakPolarHBondContact OD2-CD2 3.5Å; F413-K415 VanDerWaalsContact C-N 3.3Å; F413-K415 PolarHBondContact O-N 3.11Å |
| 414 | G | 95.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | trans | 74.9 | 16.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D411 | D411-G414 PolarHBondContact O-N 3.3Å; D411-G414 VanDerWaalsContact O-N 3.13Å; D411-G414 PolarHBondContact OD1-N 3.25Å | ||
| 415 | K | 95.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | trans | -70.9 | 132.5 | 174.1 | -174.6 | 173.1 | 178.3 | 53.5 | 0 | 110 | N322 E323 Q410 D411 F413 I417 F418 | N322-K415 HydrophobicContact CB-CB 4.09Å; N322-K415 WeakPolarHBondContact OD1-CG 3.02Å; E323-K415 WeakPolarHBondContact OE2-CD 3.47Å; E323-K415 WeakPolarHBondContact OE2-CE 3.13Å; E323-K415 IonicContact OE2-NZ 3.72Å; Q410-K415 VanDerWaalsContact CA-O 3.27Å; Q410-K415 WeakPolarHBondContact CA-O 3.34Å; D411-K415 VanDerWaalsContact CG-CB 3.49Å; D411-K415 PolarHBondContact N-O 3.32Å; D411-K415 VanDerWaalsContact OD1-CB 3.26Å; D411-K415 WeakPolarHBondContact OD1-CB 3.49Å; D411-K415 PolarHBondContact OD1-N 3.21Å; D411-K415 WeakPolarHBondContact OD2-CB 3.21Å; F413-K415 VanDerWaalsContact C-N 3.3Å; F413-K415 PolarHBondContact O-N 3.11Å; K415-I417 WeakPolarHBondContact CE-O 3.41Å; K415-I417 PolarHBondContact NZ-O 3.11Å; K415-F418 HydrophobicContact CB-CE1 4.42Å; K415-F418 HydrophobicContact CB-CE2 4.49Å; K415-F418 HydrophobicContact CB-CZ 3.91Å; K415-F418 HydrophobicContact CD-CD1 4.27Å; K415-F418 HydrophobicContact CD-CE1 3.81Å; K415-F418 HydrophobicContact CD-CZ 4.1Å; K415-F418 HydrophobicContact CG-CE1 4.04Å; K415-F418 HydrophobicContact CG-CE2 4.18Å; K415-F418 HydrophobicContact CG-CZ 3.8Å; K415-F418 VanDerWaalsContact O-CE2 3.23Å; K415-F418 WeakPolarHBondContact O-CE2 3.36Å; K415-F418 VanDerWaalsContact O-CZ 3.31Å; K415-F418 WeakPolarHBondContact O-CZ 3.43Å | ||
| 416 | T | 94 | Very high | 96.1 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 53% | 0.534 | 36% | 0.36 | S | S | . | . | trans | -119.1 | -12.4 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | R409 | R409-T416 WeakPolarHBondContact O-CA 3.24Š| ||
| 417 | I | 93.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | trans | -111.2 | 117.4 | -178.6 | -60.3 | 169.2 | 0 | 0 | 0 | 109.1 | V139 L324 K415 P419 | V139-I417 HydrophobicContact CG1-CG2 4.29Å; V139-I417 HydrophobicContact CG2-CD1 4.16Å; L324-I417 HydrophobicContact CD1-CB 3.88Å; L324-I417 HydrophobicContact CD1-CG2 3.87Å; K415-I417 WeakPolarHBondContact CE-O 3.41Å; K415-I417 PolarHBondContact NZ-O 3.11Å; I417-P419 HydrophobicContact CG2-CG 4.27Å | ||
| 418 | F | 95.3 | Very high | 96.3 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | trans | -127.9 | 89.5 | -177.8 | -60.5 | -94.6 | 0 | 0 | 0 | 109.2 | Y402 A405 T406 D411 K415 T420 | Y402-F418 HydrophobicContact CD2-CD1 4.34Å; Y402-F418 HydrophobicContact CD2-CE1 4.33Å; Y402-F418 HydrophobicContact CE1-CD1 4.22Å; Y402-F418 AromaticContact CE2-CD1 3.75Å; Y402-F418 HydrophobicContact CE2-CD1 3.75Å; Y402-F418 HydrophobicContact CE2-CE1 4.04Å; Y402-F418 AromaticContact CZ-CD1 3.69Å; A405-F418 HydrophobicContact CB-CE1 3.92Å; A405-F418 HydrophobicContact CB-CZ 3.98Å; T406-F418 HydrophobicContact CG2-CB 3.72Å; T406-F418 HydrophobicContact CG2-CG 4.36Å; T406-F418 WeakPolarHBondContact OG1-CD1 3.46Å; D411-F418 HydrophobicContact CB-CZ 4.16Å; K415-F418 HydrophobicContact CB-CE1 4.42Å; K415-F418 HydrophobicContact CB-CE2 4.49Å; K415-F418 HydrophobicContact CB-CZ 3.91Å; K415-F418 HydrophobicContact CD-CD1 4.27Å; K415-F418 HydrophobicContact CD-CE1 3.81Å; K415-F418 HydrophobicContact CD-CZ 4.1Å; K415-F418 HydrophobicContact CG-CE1 4.04Å; K415-F418 HydrophobicContact CG-CE2 4.18Å; K415-F418 HydrophobicContact CG-CZ 3.8Å; K415-F418 VanDerWaalsContact O-CE2 3.23Å; K415-F418 WeakPolarHBondContact O-CE2 3.36Å; K415-F418 VanDerWaalsContact O-CZ 3.31Å; K415-F418 WeakPolarHBondContact O-CZ 3.43Å; F418-T420 PolarHBondContact O-N 3.45Å | ||
| 419 | P | 93.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | trans | -67.3 | -20.3 | -175.6 | -23.9 | 35.3 | 0 | 0 | 0 | 115 | G307 I417 | G307-P419 WeakPolarHBondContact O-CG 3.37Å; I417-P419 HydrophobicContact CG2-CG 4.27Å | ||
| 420 | T | 96.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | trans | -146.1 | 169 | -178 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | N353 A355 A356 Y402 F418 F422 | N353-T420 PolarHBondContact ND2-OG1 3.37Å; N353-T420 PolarHBondContact OD1-OG1 3.34Å; A355-T420 WeakPolarHBondContact CB-OG1 3.41Å; A356-T420 HydrophobicContact CB-CG2 4.24Å; Y402-T420 VanDerWaalsContact CE1-O 3.31Å; Y402-T420 WeakPolarHBondContact CE1-O 3.45Å; F418-T420 PolarHBondContact O-N 3.45Å; T420-F422 HydrophobicContact CG2-CE1 4.44Å; T420-F422 HydrophobicContact CG2-CE2 4.03Å; T420-F422 HydrophobicContact CG2-CZ 3.94Å | ||
| 421 | T | 97.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | trans | -108.3 | 174 | 158 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | N353 N403 T406 | N353-T421 PolarHBondContact ND2-O 3.47Å; N403-T421 WeakPolarHBondContact OD1-CA 3.33Å; N403-T421 WeakPolarHBondContact OD1-CB 3.27Å; T406-T421 HydrophobicContact CG2-CG2 3.82Å | ||
| 422 | F | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | trans | -127.5 | 118.4 | 177.3 | -67.1 | -81 | 0 | 0 | 0 | 112 | G309 I311 N353 L399 Y402 N403 T420 E426 F428 | G309-F422 WeakPolarHBondContact O-CZ 3.35Å; I311-F422 HydrophobicContact CB-CE2 4.42Å; I311-F422 HydrophobicContact CB-CZ 4.49Å; I311-F422 HydrophobicContact CD1-CD2 4.18Å; I311-F422 HydrophobicContact CD1-CE2 3.8Å; I311-F422 HydrophobicContact CD1-CZ 4.07Å; I311-F422 HydrophobicContact CG1-CE2 4Å; I311-F422 HydrophobicContact CG1-CZ 3.88Å; I311-F422 HydrophobicContact CG2-CE2 3.63Å; I311-F422 HydrophobicContact CG2-CZ 4Å; N353-F422 HydrophobicContact CB-CD1 3.93Å; N353-F422 HydrophobicContact CB-CE1 4.04Å; L399-F422 HydrophobicContact CB-CB 4.36Å; L399-F422 HydrophobicContact CD1-CB 4.33Å; L399-F422 HydrophobicContact CD2-CB 4.01Å; L399-F422 HydrophobicContact CD2-CD2 4.35Å; L399-F422 HydrophobicContact CD2-CG 4.14Å; L399-F422 HydrophobicContact CG-CB 4.46Å; Y402-F422 AromaticContact CD1-CD2 3.64Å; Y402-F422 HydrophobicContact CD1-CD2 3.64Å; Y402-F422 AromaticContact CD1-CE2 3.99Å; Y402-F422 HydrophobicContact CD1-CE2 3.99Å; Y402-F422 AromaticContact CE1-CD2 3.68Å; Y402-F422 HydrophobicContact CE1-CD2 3.68Å; Y402-F422 AromaticContact CE1-CE2 3.63Å; Y402-F422 HydrophobicContact CE1-CE2 3.63Å; Y402-F422 HydrophobicContact CG-CD2 4.39Å; Y402-F422 AromaticContact CZ-CE2 3.95Å; N403-F422 PolarHBondContact ND2-O 2.8Å; N403-F422 PolarHBondContact OD1-N 2.89Å; T420-F422 HydrophobicContact CG2-CE1 4.44Å; T420-F422 HydrophobicContact CG2-CE2 4.03Å; T420-F422 HydrophobicContact CG2-CZ 3.94Å; F422-E426 WeakPolarHBondContact CA-OE1 3.32Å; F422-F428 HydrophobicContact CB-CE1 4.12Å; F422-F428 HydrophobicContact CD1-CD1 4.14Å; F422-F428 AromaticContact CD1-CE1 3.65Å; F422-F428 HydrophobicContact CD1-CE1 3.65Å; F422-F428 HydrophobicContact CG-CE1 4.29Å | ||
| 423 | E | 98.4 | Very high | 97.2 | Very high | 109 Ų | 109 | 42 Ų | 42 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | trans | -100.2 | 132.8 | -179.7 | -62.4 | -54.8 | 141.1 | 0 | 0 | 111.5 | K425 E426 F428 | E423-K425 PolarHBondContact O-N 3.3Å; E423-E426 HydrophobicContact CB-CB 4.31Å; E423-E426 HydrophobicContact CB-CG 4.44Å; E423-E426 PolarHBondContact N-OE1 3.4Å; E423-E426 VanDerWaalsContact O-CG 3.24Å; E423-E426 WeakPolarHBondContact O-CG 3.41Å; E423-E426 PolarHBondContact O-N 2.88Å; E423-F428 WeakPolarHBondContact O-CZ 3.37Å | ||
| 424 | W | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.1 | -171.2 | -174.8 | -106.2 | 0 | 0 | 0 | 114.8 | G381 E382 S392 L395 N396 L399 | G381-W424 PolarHBondContact N-O 3.07Å; G381-W424 WeakPolarHBondContact O-CH2 3.32Å; E382-W424 HydrophobicContact CB-CZ2 4.47Å; E382-W424 HydrophobicContact CG-CZ2 3.91Å; E382-W424 VanDerWaalsContact N-CZ2 3.31Å; E382-W424 PolarHBondContact OE1-NE1 2.86Å; E382-W424 PolarHBondContact OE2-NE1 2.91Å; S392-W424 VanDerWaalsContact O-CH2 3.31Å; S392-W424 WeakPolarHBondContact O-CH2 3.42Å; L395-W424 HydrophobicContact CB-CZ3 4.32Å; L395-W424 HydrophobicContact CD2-CZ3 4.3Å; L395-W424 HydrophobicContact CG-CZ3 4.14Å; N396-W424 HydrophobicContact CB-CD2 4.18Å; N396-W424 HydrophobicContact CB-CE3 3.66Å; N396-W424 HydrophobicContact CB-CH2 3.95Å; N396-W424 HydrophobicContact CB-CZ2 4.42Å; N396-W424 HydrophobicContact CB-CZ3 3.54Å; L399-W424 HydrophobicContact CD1-CE3 4.22Å; L399-W424 HydrophobicContact CD1-CZ3 4.38Å |
| 425 | K | 98.5 | Very high | 97.4 | Very high | 135 Ų | 135 | 36.9 Ų | 36.9 | 59% | 0.587 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 17.3 | -178.8 | -65.2 | -57.5 | -176.4 | -168.1 | 0 | 114.2 | D380 E382 E423 | D380-K425 HydrophobicContact CB-CD 4.36Å; D380-K425 IonicContact OD2-NZ 3.63Å; E382-K425 IonicContact OE1-NZ 2.76Å; E382-K425 PolarHBondContact OE1-NZ 2.89Å; E382-K425 IonicContact OE2-NZ 2.73Å; E382-K425 PolarHBondContact OE2-NZ 3.33Å; E423-K425 PolarHBondContact O-N 3.3Å |
| 426 | E | 98.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 16% | 0.164 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -99.2 | 163 | 175.4 | 88.6 | -174.5 | 139.9 | 0 | 0 | 112.7 | N353 D379 D380 F422 E423 F428 | N353-E426 HydrophobicContact CB-CG 4.12Å; N353-E426 WeakPolarHBondContact CB-OE1 3.43Å; N353-E426 VanDerWaalsContact ND2-CD 3.27Å; N353-E426 PolarHBondContact ND2-OE1 3.42Å; N353-E426 PolarHBondContact ND2-OE2 3.02Å; D379-E426 CarbonylContact O-C 3.5Å; D380-E426 WeakPolarHBondContact CA-O 3.44Å; F422-E426 WeakPolarHBondContact CA-OE1 3.32Å; E423-E426 HydrophobicContact CB-CB 4.31Å; E423-E426 HydrophobicContact CB-CG 4.44Å; E423-E426 PolarHBondContact N-OE1 3.4Å; E423-E426 VanDerWaalsContact O-CG 3.24Å; E423-E426 WeakPolarHBondContact O-CG 3.41Å; E423-E426 PolarHBondContact O-N 2.88Å; E426-F428 HydrophobicContact CG-CE1 4.42Å; E426-F428 HydrophobicContact CG-CE2 4.14Å; E426-F428 HydrophobicContact CG-CZ 4.01Å; E426-F428 WeakPolarHBondContact O-CD2 3.47Å; E426-F428 WeakPolarHBondContact O-CE2 3.29Å |
| 427 | P | 98.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 22% | 0.221 | 16% | 0.161 | C | C | . | . | trans | -70 | 138.2 | 173.9 | -17.1 | 32.1 | 0 | 0 | 0 | 112.9 | N353 A378 | N353-P427 WeakPolarHBondContact CA-O 3.35Å; A378-P427 WeakPolarHBondContact O-CA 3.31Å | ||
| 428 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.7 | 173.6 | -59.9 | -91.7 | 0 | 0 | 0 | 111.8 | V351 L352 K377 A378 L384 L399 F422 E423 E426 | V351-F428 HydrophobicContact CG1-CB 4.43Å; V351-F428 HydrophobicContact CG1-CD1 3.91Å; L352-F428 CarbonylContact O-C 3.38Å; L352-F428 WeakPolarHBondContact O-CA 3.37Å; K377-F428 CarbonylContact C-O 3.47Å; K377-F428 WeakPolarHBondContact CA-O 3.5Å; A378-F428 HydrophobicContact CB-CB 4.39Å; A378-F428 PolarHBondContact N-O 3.06Å; A378-F428 PolarHBondContact O-N 2.89Å; L384-F428 HydrophobicContact CB-CB 4.38Å; L384-F428 HydrophobicContact CB-CD2 4.28Å; L384-F428 HydrophobicContact CB-CG 4.41Å; L384-F428 HydrophobicContact CD1-CB 4.21Å; L384-F428 HydrophobicContact CD2-CB 3.93Å; L384-F428 HydrophobicContact CD2-CD1 3.7Å; L384-F428 HydrophobicContact CD2-CD2 4.11Å; L384-F428 HydrophobicContact CD2-CE1 4.19Å; L384-F428 HydrophobicContact CD2-CG 3.65Å; L384-F428 HydrophobicContact CG-CB 4.4Å; L384-F428 HydrophobicContact CG-CG 4.49Å; L399-F428 HydrophobicContact CD1-CE1 3.95Å; L399-F428 HydrophobicContact CD1-CZ 3.85Å; F422-F428 HydrophobicContact CB-CE1 4.12Å; F422-F428 HydrophobicContact CD1-CD1 4.14Å; F422-F428 AromaticContact CD1-CE1 3.65Å; F422-F428 HydrophobicContact CD1-CE1 3.65Å; F422-F428 HydrophobicContact CG-CE1 4.29Å; E423-F428 WeakPolarHBondContact O-CZ 3.37Å; E426-F428 HydrophobicContact CG-CE1 4.42Å; E426-F428 HydrophobicContact CG-CE2 4.14Å; E426-F428 HydrophobicContact CG-CZ 4.01Å; E426-F428 WeakPolarHBondContact O-CD2 3.47Å; E426-F428 WeakPolarHBondContact O-CE2 3.29Å |
| 429 | Y | 98.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.5 | 173.5 | -57.1 | -87.1 | 0 | 0 | 0 | 108.7 | V351 L352 V357 F365 W369 T376 K377 | V351-Y429 WeakPolarHBondContact CA-O 3.46Å; L352-Y429 PolarHBondContact N-O 3.29Å; L352-Y429 PolarHBondContact O-N 3.04Å; V357-Y429 HydrophobicContact CG2-CD2 3.83Å; V357-Y429 HydrophobicContact CG2-CE2 4.05Å; F365-Y429 AromaticContact CE1-CD1 3.76Å; F365-Y429 HydrophobicContact CE1-CD1 3.76Å; F365-Y429 HydrophobicContact CE1-CD2 4.25Å; F365-Y429 AromaticContact CE1-CE1 3.98Å; F365-Y429 HydrophobicContact CE1-CE1 3.98Å; F365-Y429 HydrophobicContact CE1-CE2 4.45Å; F365-Y429 AromaticContact CE1-CG 3.89Å; F365-Y429 HydrophobicContact CE1-CG 3.89Å; F365-Y429 AromaticContact CZ-CD1 3.72Å; F365-Y429 HydrophobicContact CZ-CD1 3.72Å; F365-Y429 HydrophobicContact CZ-CD2 4.1Å; F365-Y429 HydrophobicContact CZ-CE1 4.4Å; F365-Y429 AromaticContact CZ-CG 3.54Å; F365-Y429 HydrophobicContact CZ-CG 3.54Å; W369-Y429 HydrophobicContact CD2-CD1 4.04Å; W369-Y429 AromaticContact CD2-CE1 3.86Å; W369-Y429 HydrophobicContact CD2-CE1 3.86Å; W369-Y429 AromaticContact CE2-CE1 3.86Å; W369-Y429 HydrophobicContact CE3-CD1 4.22Å; W369-Y429 AromaticContact CE3-CE1 3.65Å; W369-Y429 HydrophobicContact CE3-CE1 3.65Å; W369-Y429 AromaticContact CH2-CE1 3.56Å; W369-Y429 HydrophobicContact CH2-CE1 3.56Å; W369-Y429 HydrophobicContact CZ2-CD1 4.33Å; W369-Y429 AromaticContact CZ2-CE1 3.73Å; W369-Y429 HydrophobicContact CZ2-CE1 3.73Å; W369-Y429 HydrophobicContact CZ3-CD1 4.46Å; W369-Y429 AromaticContact CZ3-CE1 3.5Å; W369-Y429 HydrophobicContact CZ3-CE1 3.5Å; W369-Y429 VanDerWaalsContact CZ3-CE1 3.5Å; T376-Y429 WeakPolarHBondContact O-CA 3.44Å; K377-Y429 HydrophobicContact CB-CD1 4.15Å; K377-Y429 HydrophobicContact CB-CE1 4.12Å; K377-Y429 HydrophobicContact CD-CE1 4.11Å; K377-Y429 HydrophobicContact CG-CD1 4.13Å; K377-Y429 HydrophobicContact CG-CE1 3.78Å |
| 430 | V | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.6 | -177.2 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | F349 L350 V351 F375 T376 L384 V387 I388 | F349-V430 HydrophobicContact CB-CG2 3.93Å; F349-V430 HydrophobicContact CD1-CG2 3.89Å; F349-V430 HydrophobicContact CG-CG2 4.38Å; L350-V430 WeakPolarHBondContact O-CA 3.28Å; V351-V430 HydrophobicContact CG2-CB 4.28Å; V351-V430 HydrophobicContact CG2-CG2 3.99Å; F375-V430 CarbonylContact C-O 3.52Å; F375-V430 WeakPolarHBondContact CA-O 3.3Å; T376-V430 PolarHBondContact N-O 3Å; T376-V430 PolarHBondContact O-N 2.99Å; L384-V430 HydrophobicContact CD1-CB 3.78Å; L384-V430 HydrophobicContact CD1-CG1 3.88Å; L384-V430 HydrophobicContact CD1-CG2 4.34Å; V387-V430 HydrophobicContact CB-CG1 4.29Å; V387-V430 HydrophobicContact CG1-CG1 3.46Å; V387-V430 VanDerWaalsContact CG1-CG1 3.46Å; I388-V430 HydrophobicContact CG1-CG2 4.25Å |
| 431 | A | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F287 F349 L350 F374 F375 | F287-A431 HydrophobicContact CD1-CB 3.97Å; F287-A431 HydrophobicContact CE1-CB 3.79Å; F349-A431 CarbonylContact C-O 3.42Å; F349-A431 WeakPolarHBondContact CA-O 3.35Å; L350-A431 PolarHBondContact N-O 2.92Å; L350-A431 PolarHBondContact O-N 2.78Å; F374-A431 WeakPolarHBondContact O-CB 3.38Å; F375-A431 HydrophobicContact CD1-CB 3.6Å; F375-A431 HydrophobicContact CD2-CB 4.31Å; F375-A431 HydrophobicContact CE1-CB 3.54Å; F375-A431 HydrophobicContact CE2-CB 4.28Å; F375-A431 HydrophobicContact CG-CB 3.99Å; F375-A431 HydrophobicContact CZ-CB 3.91Å |
| 432 | K | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 24.2 Ų | 24.2 | 41% | 0.413 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.5 | 168.3 | -73.2 | -179.2 | 178 | -176.6 | 0 | 109.6 | V288 V347 F349 | V288-K432 HydrophobicContact CB-CB 3.84Å; V288-K432 HydrophobicContact CG2-CB 4.18Å; V288-K432 PolarHBondContact N-O 2.81Å; V347-K432 HydrophobicContact CG1-CB 3.9Å; V347-K432 HydrophobicContact CG1-CD 4.12Å; V347-K432 HydrophobicContact CG1-CG 3.9Å; F349-K432 HydrophobicContact CD1-CG 4.13Å; F349-K432 HydrophobicContact CE1-CG 3.89Å |
| 433 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.6 | 175.8 | 61.8 | 75.4 | 0 | 0 | 0 | 111.3 | T285 G286 F287 A301 L312 I334 V347 A348 L350 | T285-I433 HydrophobicContact CG2-CB 4.49Å; T285-I433 HydrophobicContact CG2-CD1 3.89Å; T285-I433 HydrophobicContact CG2-CG1 4.03Å; G286-I433 CarbonylContact O-C 3.51Å; G286-I433 WeakPolarHBondContact O-CA 3.25Å; F287-I433 HydrophobicContact CD1-CG2 4.08Å; F287-I433 HydrophobicContact CE1-CG2 4.43Å; A301-I433 HydrophobicContact CB-CG2 4.11Å; L312-I433 HydrophobicContact CD2-CD1 4.37Å; L312-I433 HydrophobicContact CD2-CG1 4.24Å; I334-I433 HydrophobicContact CD1-CD1 4Å; V347-I433 WeakPolarHBondContact CA-O 3.42Å; A348-I433 HydrophobicContact CB-CD1 3.72Å; A348-I433 HydrophobicContact CB-CG1 4.45Å; A348-I433 PolarHBondContact N-O 2.83Å; A348-I433 PolarHBondContact O-N 2.74Å; L350-I433 HydrophobicContact CB-CG1 4.23Å; L350-I433 HydrophobicContact CB-CG2 4.03Å; L350-I433 HydrophobicContact CD2-CG2 4.4Å |
| 434 | T | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.6 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | P252 P284 G286 V288 K298 V344 H346 V436 | P252-T434 HydrophobicContact CG-CG2 4.24Å; P284-T434 CarbonylContact O-C 3.59Å; G286-T434 PolarHBondContact N-O 3.35Å; G286-T434 PolarHBondContact O-N 2.98Å; V288-T434 HydrophobicContact CG2-CG2 3.96Å; K298-T434 HydrophobicContact CD-CG2 3.51Å; V344-T434 HydrophobicContact CG1-CG2 3.42Å; V344-T434 VanDerWaalsContact CG1-CG2 3.42Å; H346-T434 WeakPolarHBondContact O-CA 3.38Å; H346-T434 WeakPolarHBondContact O-CB 3.26Å; H346-T434 PolarHBondContact O-OG1 3.25Å; H346-T434 VanDerWaalsContact O-OG1 3.08Å; T434-V436 HydrophobicContact CG2-CG1 4.23Å |
| 435 | P | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 140.8 | 165.1 | -25.6 | 36.8 | 0 | 0 | 0 | 112.1 | Y251 H283 T331 I334 | Y251-P435 HydrophobicContact CD1-CB 4.06Å; Y251-P435 HydrophobicContact CE1-CB 3.95Å; H283-P435 CarbonylContact O-C 3.56Å; H283-P435 VanDerWaalsContact O-CA 3.31Å; H283-P435 WeakPolarHBondContact O-CA 3.49Å; T331-P435 HydrophobicContact CG2-CB 3.74Å; T331-P435 HydrophobicContact CG2-CG 3.91Å; I334-P435 HydrophobicContact CB-CG 4.3Å; I334-P435 HydrophobicContact CD1-CG 4.43Å; I334-P435 HydrophobicContact CG2-CG 3.9Å |
| 436 | V | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141 | -177.7 | -75.1 | 0 | 0 | 0 | 0 | 111.1 | P252 T254 L282 H283 K298 T434 H438 | P252-V436 HydrophobicContact CB-CG1 4.17Å; P252-V436 HydrophobicContact CG-CG1 3.84Å; P252-V436 CarbonylContact O-C 3.59Å; P252-V436 WeakPolarHBondContact O-CA 3.41Å; P252-V436 WeakPolarHBondContact O-CB 3.26Å; T254-V436 HydrophobicContact CG2-CB 4.05Å; T254-V436 HydrophobicContact CG2-CG1 4.4Å; T254-V436 HydrophobicContact CG2-CG2 3.53Å; L282-V436 CarbonylContact C-O 3.51Å; L282-V436 VanDerWaalsContact CA-O 3.27Å; L282-V436 WeakPolarHBondContact CA-O 3.39Å; H283-V436 HydrophobicContact CB-CG2 3.96Å; H283-V436 PolarHBondContact N-O 2.68Å; H283-V436 WeakPolarHBondContact O-CG2 3.38Å; H283-V436 PolarHBondContact O-N 2.96Å; K298-V436 HydrophobicContact CB-CG1 4.09Å; K298-V436 HydrophobicContact CD-CG1 3.88Å; K298-V436 HydrophobicContact CG-CG1 4.33Å; T434-V436 HydrophobicContact CG2-CG1 4.23Å; V436-H438 PolarHBondContact O-N 3.16Å |
| 437 | I | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 130.8 | 165.8 | -51.7 | 177.7 | 0 | 0 | 0 | 108.7 | L241 K248 P252 T253 T254 V280 L282 | L241-I437 HydrophobicContact CD1-CD1 4.18Å; L241-I437 HydrophobicContact CD2-CD1 3.58Å; L241-I437 HydrophobicContact CG-CD1 4.49Å; K248-I437 WeakPolarHBondContact O-CD1 3.46Å; P252-I437 PolarHBondContact O-N 2.68Å; T253-I437 WeakPolarHBondContact CA-O 3.44Å; T253-I437 PolarHBondContact OG1-O 3.47Å; T254-I437 PolarHBondContact N-O 3.44Å; T254-I437 PolarHBondContact OG1-O 2.96Å; V280-I437 HydrophobicContact CG1-CG2 3.62Å; L282-I437 HydrophobicContact CD2-CB 4.42Å; L282-I437 HydrophobicContact CD2-CG1 3.81Å |
| 438 | H | 98.1 | Very high | 98.5 | Very high | 29 Ų | 29 | 11.1 Ų | 11.1 | 13% | 0.134 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | -27.5 | -171.9 | -173.2 | 63 | 0 | 0 | 0 | 114.2 | T254 N255 Q281 H283 R327 V436 R478 | T254-H438 PolarHBondContact OG1-ND1 2.87Å; N255-H438 PolarHBondContact ND2-O 3.25Å; Q281-H438 PolarHBondContact O-N 2.89Å; H283-H438 HydrophobicContact CB-CB 3.56Å; R327-H438 PolarHBondContact NH1-CD2 2.9Å; R327-H438 PolarHBondContact NH1-NE2 3.12Å; V436-H438 PolarHBondContact O-N 3.16Å; H438-R478 PolarHBondContact CD2-NH2 3.15Å |
| 439 | Y | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 149.5 | 178.9 | -154.3 | -106 | 0 | 0 | 0 | 111.9 | Q281 M441 E468 H474 R478 S483 E486 | Q281-Y439 PolarHBondContact N-O 3.29Å; Y439-M441 HydrophobicContact CD1-CG 4.23Å; Y439-M441 HydrophobicContact CD1-SD 4.14Å; Y439-E468 WeakPolarHBondContact CA-OE1 3.1Å; Y439-E468 HydrophobicContact CD1-CG 4.16Å; Y439-E468 HydrophobicContact CD2-CB 4.46Å; Y439-E468 HydrophobicContact CD2-CG 3.78Å; Y439-E468 WeakPolarHBondContact CD2-OE1 3.49Å; Y439-E468 HydrophobicContact CE1-CB 4.29Å; Y439-E468 HydrophobicContact CE1-CG 3.79Å; Y439-E468 HydrophobicContact CE2-CB 3.62Å; Y439-E468 HydrophobicContact CE2-CG 3.39Å; Y439-E468 HydrophobicContact CG-CG 4.17Å; Y439-E468 VanDerWaalsContact CZ-CG 3.41Å; Y439-E468 WeakPolarHBondContact OH-CA 3.17Å; Y439-E468 WeakPolarHBondContact OH-CB 3.14Å; Y439-H474 AromaticContact CE1-CD2 3.64Å; Y439-R478 HydrophobicContact CD1-CB 4.41Å; Y439-S483 VanDerWaalsContact CE2-OG 3.28Å; Y439-S483 WeakPolarHBondContact CE2-OG 3.47Å; Y439-E486 PolarHBondContact OH-OE2 2.88Å |
| 440 | T | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.1 | 164.9 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | G230 F231 S232 V280 G442 E468 | G230-T440 WeakPolarHBondContact CA-OG1 3.35Å; F231-T440 HydrophobicContact CD1-CG2 3.86Å; F231-T440 HydrophobicContact CD2-CG2 3.69Å; F231-T440 HydrophobicContact CE1-CG2 3.81Å; F231-T440 HydrophobicContact CE2-CG2 3.65Å; F231-T440 HydrophobicContact CG-CG2 3.8Å; F231-T440 HydrophobicContact CZ-CG2 3.7Å; F231-T440 PolarHBondContact N-OG1 3.48Å; S232-T440 WeakPolarHBondContact OG-CG2 3.48Å; V280-T440 HydrophobicContact CG1-CG2 4.41Å; V280-T440 HydrophobicContact CG2-CG2 4Å; T440-G442 VanDerWaalsContact C-N 3.3Å; T440-E468 PolarHBondContact N-OE1 2.61Å |
| 441 | M | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.015 | 6% | 0.057 | C | C | . | . | trans | -77.6 | -23.6 | 178.2 | -67.1 | 74.5 | 74.9 | 0 | 0 | 111.7 | K279 Q281 Y439 G471 H474 G475 G476 R478 | K279-M441 VanDerWaalsContact C-CE 3.49Å; K279-M441 HydrophobicContact CB-CB 4.04Å; K279-M441 HydrophobicContact CB-CE 3.79Å; K279-M441 VanDerWaalsContact O-CE 3.3Å; K279-M441 WeakPolarHBondContact O-CE 3.43Å; K279-M441 PolarHBondContact O-N 3.44Å; Q281-M441 HydrophobicContact CB-CE 3.79Å; Q281-M441 HydrophobicContact CB-SD 3.43Å; Q281-M441 WeakPolarHBondContact CB-SD 3.33Å; Y439-M441 HydrophobicContact CD1-CG 4.23Å; Y439-M441 HydrophobicContact CD1-SD 4.14Å; M441-G471 WeakPolarHBondContact O-CA 3.28Å; M441-H474 HydrophobicContact CB-CB 4.17Å; M441-H474 HydrophobicContact CG-CB 3.63Å; M441-G475 WeakPolarHBondContact CB-O 3.29Å; M441-G476 WeakPolarHBondContact CE-O 3.42Å; M441-R478 HydrophobicContact CG-CB 4.17Å; M441-R478 HydrophobicContact SD-CB 4.4Å | ||
| 442 | G | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -81.5 | 152 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F231 I275 D276 T440 | F231-G442 WeakPolarHBondContact CE1-O 3.31Å; I275-G442 CarbonylContact O-C 3.49Å; I275-G442 WeakPolarHBondContact O-CA 3.17Å; D276-G442 VanDerWaalsContact C-CA 3.42Å; D276-G442 WeakPolarHBondContact O-CA 3.31Å; D276-G442 PolarHBondContact O-N 2.74Å; T440-G442 VanDerWaalsContact C-N 3.3Å | ||
| 443 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -156.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L274 I275 M277 A445 V469 | L274-G443 WeakPolarHBondContact CA-O 3.02Å; I275-G443 PolarHBondContact N-O 2.78Å; I275-G443 PolarHBondContact O-N 2.89Å; M277-G443 PolarHBondContact SD-N 2.9Å; G443-A445 PolarHBondContact O-N 2.87Å; G443-V469 WeakPolarHBondContact CA-O 3.46Å |
| 444 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 127.4 | 178.7 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | A267 A272 L274 V452 A465 V469 S470 G471 | A267-V444 HydrophobicContact CB-CG1 4.25Å; A267-V444 HydrophobicContact CB-CG2 3.48Å; A267-V444 VanDerWaalsContact CB-CG2 3.48Å; A272-V444 HydrophobicContact CB-CG1 4.26Å; L274-V444 HydrophobicContact CD2-CG2 4.2Å; V444-V452 HydrophobicContact CG1-CB 4.12Å; V444-V452 HydrophobicContact CG1-CG1 3.38Å; V444-V452 HydrophobicContact CG1-CG2 3.71Å; V444-A465 HydrophobicContact CG1-CB 4.47Å; V444-V469 HydrophobicContact CG2-CG2 4.3Å; V444-V469 PolarHBondContact N-O 3.36Å; V444-S470 CarbonylContact O-C 3.4Å; V444-S470 WeakPolarHBondContact O-CA 3.47Å; V444-S470 WeakPolarHBondContact O-CB 3.26Å; V444-G471 PolarHBondContact O-N 2.89Å |
| 445 | A | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.041 | 9% | 0.088 | C | C | . | . | trans | -68.8 | 134.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | S273 I275 G443 L453 | S273-A445 PolarHBondContact O-N 3.02Å; I275-A445 HydrophobicContact CD1-CB 4.19Å; I275-A445 HydrophobicContact CG1-CB 4.21Å; I275-A445 HydrophobicContact CG2-CB 4.05Å; G443-A445 PolarHBondContact O-N 2.87Å; A445-L453 HydrophobicContact CB-CB 4.18Å; A445-L453 HydrophobicContact CB-CD1 4.27Å; A445-L453 PolarHBondContact O-N 3.34Å | ||
| 446 | I | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -131.8 | 155 | 178.2 | 60.3 | 170.5 | 0 | 0 | 0 | 111.1 | L112 T450 R451 V452 A465 | L112-I446 HydrophobicContact CD1-CG1 4.16Å; I446-T450 HydrophobicContact CD1-CG2 4.32Å; I446-R451 VanDerWaalsContact CA-O 3.27Å; I446-R451 WeakPolarHBondContact CA-O 3.29Å; I446-V452 HydrophobicContact CG2-CG2 4.45Å; I446-A465 HydrophobicContact CG2-CB 3.79Å |
| 447 | D | 98 | Very high | 97.6 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | trans | -87.4 | -177.6 | 164.6 | 67 | 13.6 | 0 | 0 | 0 | 112.5 | Q449 T450 R451 L453 | D447-Q449 PolarHBondContact O-N 2.77Å; D447-Q449 VanDerWaalsContact O-N 3.13Å; D447-Q449 VanDerWaalsContact OD1-C 3.27Å; D447-Q449 WeakPolarHBondContact OD1-CA 3.46Å; D447-Q449 WeakPolarHBondContact OD1-CB 3.21Å; D447-Q449 PolarHBondContact OD1-N 3.04Å; D447-T450 WeakPolarHBondContact O-CA 3.47Å; D447-T450 PolarHBondContact O-N 2.78Å; D447-T450 PolarHBondContact OD1-N 3.26Å; D447-T450 VanDerWaalsContact OD1-N 3.09Å; D447-R451 PolarHBondContact N-O 2.82Å; D447-R451 PolarHBondContact OD1-N 2.96Å; D447-R451 IonicContact OD1-NE 2.97Å; D447-R451 IonicContact OD2-CZ 2.86Å; D447-R451 IonicContact OD2-NE 2.77Å; D447-R451 PolarHBondContact OD2-NE 3.5Å; D447-R451 IonicContact OD2-NH2 3.27Å; D447-R451 PolarHBondContact OD2-NH2 2.93Å; D447-L453 HydrophobicContact CB-CD2 4.31Å | ||
| 448 | N | 96.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 27.4 Ų | 27.4 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.7 | 178.7 | 65.6 | 23.8 | 0 | 0 | 0 | 114.4 | E111 L112 L115 | E111-N448 PolarHBondContact OE2-ND2 2.82Å; L112-N448 HydrophobicContact CD2-CB 4.39Å; L115-N448 HydrophobicContact CD2-CB 4.34Å; L115-N448 WeakPolarHBondContact CD2-O 3.43Å |
| 449 | Q | 97.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 11.1 | 171.5 | -55.2 | -166.2 | -95.5 | 0 | 0 | 112 | D447 R451 E497 | D447-Q449 PolarHBondContact O-N 2.77Å; D447-Q449 VanDerWaalsContact O-N 3.13Å; D447-Q449 VanDerWaalsContact OD1-C 3.27Å; D447-Q449 WeakPolarHBondContact OD1-CA 3.46Å; D447-Q449 WeakPolarHBondContact OD1-CB 3.21Å; D447-Q449 PolarHBondContact OD1-N 3.04Å; Q449-R451 HydrophobicContact CB-CG 4.32Å; Q449-R451 PolarHBondContact O-N 3.32Å; Q449-E497 HydrophobicContact CB-CG 4.24Å; Q449-E497 PolarHBondContact NE2-OE2 3.48Å |
| 450 | T | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | 63.4 | 13.6 | -178.8 | 69.1 | 0 | 0 | 0 | 0 | 115.1 | I446 D447 Y464 A465 F490 I493 A494 | I446-T450 HydrophobicContact CD1-CG2 4.32Å; D447-T450 WeakPolarHBondContact O-CA 3.47Å; D447-T450 PolarHBondContact O-N 2.78Å; D447-T450 PolarHBondContact OD1-N 3.26Å; D447-T450 VanDerWaalsContact OD1-N 3.09Å; T450-Y464 CarbonylContact O-C 3.06Å; T450-Y464 WeakPolarHBondContact O-CA 3.33Å; T450-Y464 WeakPolarHBondContact O-CB 3.45Å; T450-A465 WeakPolarHBondContact CB-O 3.09Å; T450-A465 PolarHBondContact O-N 3.02Å; T450-F490 HydrophobicContact CG2-CB 4.03Å; T450-F490 HydrophobicContact CG2-CD1 3.83Å; T450-F490 HydrophobicContact CG2-CG 4.43Å; T450-I493 HydrophobicContact CG2-CB 4Å; T450-I493 HydrophobicContact CG2-CG2 3.78Å; T450-A494 HydrophobicContact CG2-CB 4.31Å; T450-A494 WeakPolarHBondContact OG1-CA 3.41Å; T450-A494 VanDerWaalsContact OG1-CB 3.29Å; T450-A494 WeakPolarHBondContact OG1-CB 3.44Å; T450-A494 PolarHBondContact OG1-N 2.94Å | ||
| 451 | R | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.7 | 177 | -64.2 | 178.3 | -64.1 | -153.6 | -5.5 | 109 | I446 D447 Q449 L453 V459 Y464 L504 | I446-R451 VanDerWaalsContact CA-O 3.27Å; I446-R451 WeakPolarHBondContact CA-O 3.29Å; D447-R451 PolarHBondContact N-O 2.82Å; D447-R451 PolarHBondContact OD1-N 2.96Å; D447-R451 IonicContact OD1-NE 2.97Å; D447-R451 IonicContact OD2-CZ 2.86Å; D447-R451 IonicContact OD2-NE 2.77Å; D447-R451 PolarHBondContact OD2-NE 3.5Å; D447-R451 IonicContact OD2-NH2 3.27Å; D447-R451 PolarHBondContact OD2-NH2 2.93Å; Q449-R451 HydrophobicContact CB-CG 4.32Å; Q449-R451 PolarHBondContact O-N 3.32Å; R451-L453 PolarHBondContact O-N 2.81Å; R451-V459 HydrophobicContact CB-CB 4.26Å; R451-V459 HydrophobicContact CB-CG1 3.98Å; R451-Y464 HydrophobicContact CG-CD1 3.94Å; R451-Y464 HydrophobicContact CG-CE1 3.52Å; R451-L504 PolarHBondContact NH1-O 3.09Å |
| 452 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130.6 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | A272 V444 I446 F460 L463 A465 | A272-V452 HydrophobicContact CB-CG1 3.65Å; V444-V452 HydrophobicContact CG1-CB 4.12Å; V444-V452 HydrophobicContact CG1-CG1 3.38Å; V444-V452 HydrophobicContact CG1-CG2 3.71Å; I446-V452 HydrophobicContact CG2-CG2 4.45Å; V452-F460 HydrophobicContact CB-CD2 4.45Å; V452-F460 HydrophobicContact CG1-CD2 3.85Å; V452-F460 HydrophobicContact CG1-CE2 4.45Å; V452-F460 PolarHBondContact O-N 3.08Å; V452-L463 HydrophobicContact CB-CB 4.37Å; V452-L463 HydrophobicContact CB-CD2 3.91Å; V452-L463 HydrophobicContact CB-CG 3.92Å; V452-L463 HydrophobicContact CG1-CD2 3.96Å; V452-L463 HydrophobicContact CG2-CD2 4.01Å; V452-L463 HydrophobicContact CG2-CG 3.71Å; V452-L463 PolarHBondContact N-O 3.03Å; V452-A465 HydrophobicContact CG2-CB 3.72Å |
| 453 | L | 98.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 142 | -179.4 | -57.2 | 178.5 | 0 | 0 | 0 | 111.6 | A272 S273 A445 D447 R451 V459 | A272-L453 WeakPolarHBondContact CA-O 3.45Å; S273-L453 PolarHBondContact N-O 3.35Å; A445-L453 HydrophobicContact CB-CB 4.18Å; A445-L453 HydrophobicContact CB-CD1 4.27Å; A445-L453 PolarHBondContact O-N 3.34Å; D447-L453 HydrophobicContact CB-CD2 4.31Å; R451-L453 PolarHBondContact O-N 2.81Å; L453-V459 HydrophobicContact CD2-CG1 3.96Å |
| 454 | K | 97.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 27% | 0.274 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -79.9 | 167.7 | 166 | -70.4 | -178.4 | -157.2 | 171.2 | 0 | 110.3 | D456 G457 S458 V459 F460 | K454-D456 VanDerWaalsContact CB-OD1 3.22Å; K454-D456 WeakPolarHBondContact CB-OD1 3.24Å; K454-D456 PolarHBondContact O-N 2.58Å; K454-G457 PolarHBondContact O-N 3.31Å; K454-S458 WeakPolarHBondContact CB-O 3.25Å; K454-S458 WeakPolarHBondContact CD-OG 3.45Å; K454-S458 PolarHBondContact N-O 3.45Å; K454-V459 WeakPolarHBondContact CE-O 3.37Å; K454-F460 HydrophobicContact CB-CE2 4.12Å; K454-F460 HydrophobicContact CD-CD2 4.5Å; K454-F460 HydrophobicContact CD-CE1 4.37Å; K454-F460 HydrophobicContact CD-CE2 4.22Å; K454-F460 HydrophobicContact CD-CZ 4.15Å; K454-F460 HydrophobicContact CG-CD1 4.43Å; K454-F460 HydrophobicContact CG-CD2 3.53Å; K454-F460 HydrophobicContact CG-CE1 4.12Å; K454-F460 HydrophobicContact CG-CE2 3.16Å; K454-F460 HydrophobicContact CG-CG 4.17Å; K454-F460 HydrophobicContact CG-CZ 3.5Å; K454-F460 VanDerWaalsContact CG-CZ 3.5Å |
| 455 | N | 93.2 | Very high | 97.2 | Very high | 124 Ų | 124 | 36.5 Ų | 36.5 | 66% | 0.663 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.9 | 174.7 | -66.9 | -28.7 | 0 | 0 | 0 | 113.8 | S273 G457 | S273-N455 VanDerWaalsContact CA-OD1 3.31Å; S273-N455 WeakPolarHBondContact CA-OD1 3.27Å; N455-G457 VanDerWaalsContact C-N 3.29Å |
| 456 | D | 94.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 36.2 Ų | 36.2 | 65% | 0.647 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.2 | 176 | 67.3 | 3.2 | 0 | 0 | 0 | 113.5 | K454 S458 | K454-D456 VanDerWaalsContact CB-OD1 3.22Å; K454-D456 WeakPolarHBondContact CB-OD1 3.24Å; K454-D456 PolarHBondContact O-N 2.58Å; D456-S458 VanDerWaalsContact C-N 3.25Å; D456-S458 PolarHBondContact O-N 2.67Å; D456-S458 VanDerWaalsContact OD1-CB 3.26Å; D456-S458 WeakPolarHBondContact OD1-CB 3.38Å; D456-S458 PolarHBondContact OD1-N 2.8Å; D456-S458 PolarHBondContact OD1-OG 2.92Å; D456-S458 PolarHBondContact OD2-OG 3.35Å |
| 457 | G | 92.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 36 Ų | 36 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 81.7 | -7.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K454 N455 | K454-G457 PolarHBondContact O-N 3.31Å; N455-G457 VanDerWaalsContact C-N 3.29Å |
| 458 | S | 95.9 | Very high | 97.2 | Very high | 46 Ų | 46 | 36 Ų | 36 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | trans | -76.4 | 164.1 | 174.5 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | K454 D456 | K454-S458 WeakPolarHBondContact CB-O 3.25Å; K454-S458 WeakPolarHBondContact CD-OG 3.45Å; K454-S458 PolarHBondContact N-O 3.45Å; D456-S458 VanDerWaalsContact C-N 3.25Å; D456-S458 PolarHBondContact O-N 2.67Å; D456-S458 VanDerWaalsContact OD1-CB 3.26Å; D456-S458 WeakPolarHBondContact OD1-CB 3.38Å; D456-S458 PolarHBondContact OD1-N 2.8Å; D456-S458 PolarHBondContact OD1-OG 2.92Å; D456-S458 PolarHBondContact OD2-OG 3.35Å | ||
| 459 | V | 97 | Very high | 97.3 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 145.6 | -174.7 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | R451 L453 K454 R461 V506 | R451-V459 HydrophobicContact CB-CB 4.26Å; R451-V459 HydrophobicContact CB-CG1 3.98Å; L453-V459 HydrophobicContact CD2-CG1 3.96Å; K454-V459 WeakPolarHBondContact CE-O 3.37Å; V459-R461 PolarHBondContact O-N 3.49Å; V459-V506 HydrophobicContact CG1-CG2 4.13Å; V459-V506 HydrophobicContact CG2-CG2 3.87Å |
| 460 | F | 96.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 111.7 | 160.1 | -78.3 | -84.2 | 0 | 0 | 0 | 109.6 | I270 A272 V452 K454 G462 L463 | I270-F460 HydrophobicContact CD1-CD1 3.91Å; I270-F460 HydrophobicContact CD1-CE1 3.71Å; I270-F460 HydrophobicContact CD1-CG 4.44Å; I270-F460 HydrophobicContact CD1-CZ 4.04Å; I270-F460 HydrophobicContact CG1-CE1 4.12Å; I270-F460 HydrophobicContact CG1-CZ 4.07Å; I270-F460 WeakPolarHBondContact O-CZ 3.49Å; A272-F460 HydrophobicContact CB-CE2 3.99Å; V452-F460 HydrophobicContact CB-CD2 4.45Å; V452-F460 HydrophobicContact CG1-CD2 3.85Å; V452-F460 HydrophobicContact CG1-CE2 4.45Å; V452-F460 PolarHBondContact O-N 3.08Å; K454-F460 HydrophobicContact CB-CE2 4.12Å; K454-F460 HydrophobicContact CD-CD2 4.5Å; K454-F460 HydrophobicContact CD-CE1 4.37Å; K454-F460 HydrophobicContact CD-CE2 4.22Å; K454-F460 HydrophobicContact CD-CZ 4.15Å; K454-F460 HydrophobicContact CG-CD1 4.43Å; K454-F460 HydrophobicContact CG-CD2 3.53Å; K454-F460 HydrophobicContact CG-CE1 4.12Å; K454-F460 HydrophobicContact CG-CE2 3.16Å; K454-F460 HydrophobicContact CG-CG 4.17Å; K454-F460 HydrophobicContact CG-CZ 3.5Å; K454-F460 VanDerWaalsContact CG-CZ 3.5Å; F460-G462 PolarHBondContact O-N 3.33Å; F460-L463 HydrophobicContact CB-CB 3.84Å; F460-L463 HydrophobicContact CB-CD2 4.25Å; F460-L463 HydrophobicContact CG-CD2 4.43Å; F460-L463 PolarHBondContact O-N 3.17Å |
| 461 | R | 96.1 | Very high | 97.3 | Very high | 161 Ų | 161 | 32.5 Ų | 32.5 | 61% | 0.608 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.3 | 174.9 | -175.7 | 177.5 | 173.8 | -151 | -3.1 | 109.5 | A202 V203 V459 L463 | A202-R461 WeakPolarHBondContact CA-O 3.37Å; A202-R461 HydrophobicContact CB-CB 3.99Å; A202-R461 HydrophobicContact CB-CG 4.15Å; V203-R461 PolarHBondContact N-O 3.27Å; V459-R461 PolarHBondContact O-N 3.49Å; R461-L463 VanDerWaalsContact C-N 3.35Å |
| 462 | G | 96.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | 3.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A223 V224 F460 | A223-G462 CarbonylContact C-O 3.48Å; A223-G462 WeakPolarHBondContact CA-O 3.33Å; V224-G462 PolarHBondContact N-O 3.44Å; F460-G462 PolarHBondContact O-N 3.33Å |
| 463 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.5 | -179.9 | -173.5 | 62.6 | 0 | 0 | 0 | 112.4 | F195 V203 V224 L226 I270 V452 F460 R461 | F195-L463 HydrophobicContact CD1-CD1 4.12Å; F195-L463 HydrophobicContact CE1-CD1 3.4Å; F195-L463 VanDerWaalsContact CE1-CD1 3.4Å; F195-L463 HydrophobicContact CE1-CD2 4.49Å; F195-L463 HydrophobicContact CE2-CD1 4.43Å; F195-L463 HydrophobicContact CE2-CD2 4.13Å; F195-L463 HydrophobicContact CZ-CD1 3.57Å; F195-L463 HydrophobicContact CZ-CD2 4.03Å; F195-L463 HydrophobicContact CZ-CG 4.48Å; V203-L463 HydrophobicContact CB-CB 4.21Å; V203-L463 HydrophobicContact CG2-CB 3.93Å; V203-L463 HydrophobicContact CG2-CD2 4.29Å; V224-L463 HydrophobicContact CB-CD1 4.16Å; V224-L463 HydrophobicContact CG1-CD1 4.29Å; L226-L463 HydrophobicContact CD1-CD1 4.33Å; L226-L463 HydrophobicContact CG-CD1 4.2Å; I270-L463 HydrophobicContact CD1-CD2 3.85Å; V452-L463 HydrophobicContact CB-CB 4.37Å; V452-L463 HydrophobicContact CB-CD2 3.91Å; V452-L463 HydrophobicContact CB-CG 3.92Å; V452-L463 HydrophobicContact CG1-CD2 3.96Å; V452-L463 HydrophobicContact CG2-CD2 4.01Å; V452-L463 HydrophobicContact CG2-CG 3.71Å; V452-L463 PolarHBondContact N-O 3.03Å; F460-L463 HydrophobicContact CB-CB 3.84Å; F460-L463 HydrophobicContact CB-CD2 4.25Å; F460-L463 HydrophobicContact CG-CD2 4.43Å; F460-L463 PolarHBondContact O-N 3.17Å; R461-L463 VanDerWaalsContact C-N 3.35Å |
| 464 | Y | 98.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 157.8 | 178.2 | -56.3 | -93.3 | 0 | 0 | 0 | 110.4 | A223 V224 V225 L226 T450 R451 E497 A498 | A223-Y464 HydrophobicContact CB-CD2 4.4Å; A223-Y464 HydrophobicContact CB-CE2 4.03Å; V224-Y464 PolarHBondContact O-N 3.08Å; V225-Y464 WeakPolarHBondContact CA-O 3.43Å; L226-Y464 PolarHBondContact N-O 3.31Å; T450-Y464 CarbonylContact O-C 3.06Å; T450-Y464 WeakPolarHBondContact O-CA 3.33Å; T450-Y464 WeakPolarHBondContact O-CB 3.45Å; R451-Y464 HydrophobicContact CG-CD1 3.94Å; R451-Y464 HydrophobicContact CG-CE1 3.52Å; Y464-E497 HydrophobicContact CD1-CB 4.07Å; Y464-E497 HydrophobicContact CE1-CB 3.48Å; Y464-E497 VanDerWaalsContact CE1-CB 3.48Å; Y464-E497 PolarHBondContact OH-O 2.79Å; Y464-A498 HydrophobicContact CD2-CB 3.88Å; Y464-A498 HydrophobicContact CE2-CB 3.91Å |
| 465 | A | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L226 V444 I446 T450 V452 V469 | L226-A465 HydrophobicContact CB-CB 4.09Å; L226-A465 CarbonylContact O-C 3.55Å; L226-A465 WeakPolarHBondContact O-CA 3.4Å; V444-A465 HydrophobicContact CG1-CB 4.47Å; I446-A465 HydrophobicContact CG2-CB 3.79Å; T450-A465 WeakPolarHBondContact CB-O 3.09Å; T450-A465 PolarHBondContact O-N 3.02Å; V452-A465 HydrophobicContact CG2-CB 3.72Å; A465-V469 HydrophobicContact CB-CG1 4.22Å |
| 466 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -149.2 | 145.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A41 L226 V469 F490 A494 | A41-A466 HydrophobicContact CB-CB 4.32Å; A41-A466 WeakPolarHBondContact CB-O 3.33Å; L226-A466 PolarHBondContact O-N 3.19Å; A466-V469 WeakPolarHBondContact O-CG1 3.22Å; A466-F490 HydrophobicContact CB-CB 4.11Å; A466-F490 WeakPolarHBondContact CB-O 3.16Å; A466-A494 HydrophobicContact CB-CB 4.08Å | ||
| 467 | G | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 79.8 | -157.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V469 S470 | G467-V469 PolarHBondContact O-N 3.42Å; G467-S470 PolarHBondContact O-N 2.86Å; G467-S470 PolarHBondContact O-OG 2.76Å |
| 468 | E | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 15.3 Ų | 15.3 | 7% | 0.065 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -8.9 | -171.1 | -167.2 | -179.2 | 179.8 | 0 | 0 | 115.2 | S232 Y439 T440 S470 | S232-E468 PolarHBondContact OG-OE1 2.87Å; Y439-E468 WeakPolarHBondContact CA-OE1 3.1Å; Y439-E468 HydrophobicContact CD1-CG 4.16Å; Y439-E468 HydrophobicContact CD2-CB 4.46Å; Y439-E468 HydrophobicContact CD2-CG 3.78Å; Y439-E468 WeakPolarHBondContact CD2-OE1 3.49Å; Y439-E468 HydrophobicContact CE1-CB 4.29Å; Y439-E468 HydrophobicContact CE1-CG 3.79Å; Y439-E468 HydrophobicContact CE2-CB 3.62Å; Y439-E468 HydrophobicContact CE2-CG 3.39Å; Y439-E468 HydrophobicContact CG-CG 4.17Å; Y439-E468 VanDerWaalsContact CZ-CG 3.41Å; Y439-E468 WeakPolarHBondContact OH-CA 3.17Å; Y439-E468 WeakPolarHBondContact OH-CB 3.14Å; T440-E468 PolarHBondContact N-OE1 2.61Å; E468-S470 VanDerWaalsContact C-N 3.32Å |
| 469 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -25.5 | 171.5 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | L226 T228 V264 G443 V444 A465 A466 G467 | L226-V469 HydrophobicContact CB-CG1 4.16Å; L226-V469 HydrophobicContact CB-CG2 4.34Å; L226-V469 VanDerWaalsContact O-CG1 3.32Å; L226-V469 WeakPolarHBondContact O-CG1 3.38Å; T228-V469 WeakPolarHBondContact OG1-CG2 3.49Å; V264-V469 HydrophobicContact CG2-CG2 3.98Å; G443-V469 WeakPolarHBondContact CA-O 3.46Å; V444-V469 HydrophobicContact CG2-CG2 4.3Å; V444-V469 PolarHBondContact N-O 3.36Å; A465-V469 HydrophobicContact CB-CG1 4.22Å; A466-V469 WeakPolarHBondContact O-CG1 3.22Å; G467-V469 PolarHBondContact O-N 3.42Å |
| 470 | S | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 156.6 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | V444 G467 E468 | V444-S470 CarbonylContact O-C 3.4Å; V444-S470 WeakPolarHBondContact O-CA 3.47Å; V444-S470 WeakPolarHBondContact O-CB 3.26Å; G467-S470 PolarHBondContact O-N 2.86Å; G467-S470 PolarHBondContact O-OG 2.76Å; E468-S470 VanDerWaalsContact C-N 3.32Å |
| 471 | G | 98 | Very high | 98 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | trans | -110.3 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I275 M441 V444 V473 | I275-G471 VanDerWaalsContact CD1-C 3.45Å; M441-G471 WeakPolarHBondContact O-CA 3.28Å; V444-G471 PolarHBondContact O-N 2.89Å; G471-V473 PolarHBondContact O-N 3.02Å | ||
| 472 | G | 97.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 4 Ų | 4 | 2% | 0.021 | 3% | 0.028 | C | C | . | . | S | Bend | trans | 96.5 | -31 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N108 N109 H474 | N108-G472 CarbonylContact C-O 3.56Å; N108-G472 WeakPolarHBondContact CA-O 3.14Å; N109-G472 PolarHBondContact N-O 3.39Å; G472-H474 PolarHBondContact O-N 2.63Å |
| 473 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -64.7 | -39.4 | -178.1 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | N108 L112 V113 L116 G471 E486 F490 | N108-V473 PolarHBondContact ND2-O 3.23Å; L112-V473 HydrophobicContact CB-CG2 4.09Å; L112-V473 HydrophobicContact CD1-CG2 4.11Å; V113-V473 WeakPolarHBondContact CG2-O 3.36Å; L116-V473 HydrophobicContact CD1-CG1 4.46Å; L116-V473 HydrophobicContact CD2-CG1 3.83Å; G471-V473 PolarHBondContact O-N 3.02Å; V473-E486 HydrophobicContact CG1-CG 4.47Å; V473-E486 HydrophobicContact CG2-CG 4.27Å; V473-E486 WeakPolarHBondContact CG2-OE1 3.3Å; V473-F490 HydrophobicContact CG1-CE2 4.08Å; V473-F490 HydrophobicContact CG2-CD2 4.26Å; V473-F490 HydrophobicContact CG2-CE2 3.57Å; V473-F490 HydrophobicContact CG2-CZ 3.79Å |
| 474 | H | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 4.9 Ų | 4.9 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -106.5 | -6.4 | -166.9 | -58 | -57.4 | 0 | 0 | 0 | 115 | G104 N108 Y439 M441 G472 G476 N477 R478 E486 | G104-H474 VanDerWaalsContact CA-O 3.24Å; G104-H474 WeakPolarHBondContact CA-O 3.4Å; N108-H474 WeakPolarHBondContact ND2-CA 3.35Å; N108-H474 PolarHBondContact ND2-O 3.22Å; Y439-H474 AromaticContact CE1-CD2 3.64Å; M441-H474 HydrophobicContact CB-CB 4.17Å; M441-H474 HydrophobicContact CG-CB 3.63Å; G472-H474 PolarHBondContact O-N 2.63Å; H474-G476 PolarHBondContact O-N 3.2Å; H474-N477 CarbonylContact O-C 3.51Å; H474-N477 PolarHBondContact O-N 3.11Å; H474-R478 HydrophobicContact CB-CB 3.81Å; H474-R478 HydrophobicContact CB-CG 4.22Å; H474-R478 WeakPolarHBondContact ND1-CG 3.44Å; H474-E486 IonicContact CD2-OE2 2.89Å; H474-E486 IonicContact CE1-OE2 3.27Å; H474-E486 VanDerWaalsContact NE2-CD 3.27Å; H474-E486 IonicContact NE2-OE1 3.52Å; H474-E486 IonicContact NE2-OE2 2.74Å; H474-E486 PolarHBondContact NE2-OE2 2.74Å |
| 475 | G | 96.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -133.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N108 M441 N477 | N108-G475 PolarHBondContact ND2-N 2.7Å; M441-G475 WeakPolarHBondContact CB-O 3.29Å; G475-N477 PolarHBondContact O-N 2.68Å |
| 476 | G | 97 | Very high | 98.2 | Very high | 16 Ų | 16 | 4.3 Ų | 4.3 | 17% | 0.165 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G104 M441 H474 | G104-G476 PolarHBondContact O-N 3.14Å; M441-G476 WeakPolarHBondContact CE-O 3.42Å; H474-G476 PolarHBondContact O-N 3.2Å |
| 477 | N | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 4.6 Ų | 4.6 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -163.2 | 128 | -179.2 | 166.6 | 74.5 | 0 | 0 | 0 | 112.1 | A103 G104 Q281 D328 H474 G475 | A103-N477 CarbonylContact C-O 3.51Å; A103-N477 WeakPolarHBondContact O-CB 3.4Å; A103-N477 PolarHBondContact O-ND2 2.97Å; A103-N477 VanDerWaalsContact O-ND2 3.07Å; G104-N477 WeakPolarHBondContact CA-O 3.2Å; G104-N477 PolarHBondContact N-O 3.35Å; Q281-N477 PolarHBondContact NE2-OD1 2.83Å; D328-N477 HydrophobicContact CB-CB 4.38Å; D328-N477 PolarHBondContact OD1-ND2 2.88Å; H474-N477 CarbonylContact O-C 3.51Å; H474-N477 PolarHBondContact O-N 3.11Å; G475-N477 PolarHBondContact O-N 2.68Å |
| 478 | R | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 4.7 Ų | 4.7 | 3% | 0.03 | 3% | 0.033 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 127.5 | -175.2 | 178 | 168.6 | 63 | 72.5 | -6.9 | 113.1 | Q281 H438 Y439 M441 H474 N482 S483 | Q281-R478 PolarHBondContact NE2-O 2.81Å; H438-R478 PolarHBondContact CD2-NH2 3.15Å; Y439-R478 HydrophobicContact CD1-CB 4.41Å; M441-R478 HydrophobicContact CG-CB 4.17Å; M441-R478 HydrophobicContact SD-CB 4.4Å; H474-R478 HydrophobicContact CB-CB 3.81Å; H474-R478 HydrophobicContact CB-CG 4.22Å; H474-R478 WeakPolarHBondContact ND1-CG 3.44Å; R478-N482 HydrophobicContact CG-CB 4.35Å; R478-S483 VanDerWaalsContact CZ-CB 3.4Å |
| 479 | L | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 4.4 Ų | 4.4 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 139.1 | 169.5 | -170.7 | 65.3 | 0 | 0 | 0 | 111.3 | F96 D99 A103 H143 N482 | F96-L479 HydrophobicContact CD2-CD2 4.4Å; F96-L479 HydrophobicContact CE2-CD2 4.03Å; D99-L479 HydrophobicContact CB-CD2 3.99Å; A103-L479 HydrophobicContact CB-CB 3.89Å; A103-L479 HydrophobicContact CB-CD1 3.97Å; A103-L479 HydrophobicContact CB-CG 4.48Å; H143-L479 WeakPolarHBondContact NE2-CG 3.21Å; L479-N482 WeakPolarHBondContact O-CB 3.12Å; L479-N482 PolarHBondContact O-N 2.9Å |
| 480 | G | 96.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 142.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N77 H143 N482 | N77-G480 PolarHBondContact ND2-O 3.13Å; N77-G480 PolarHBondContact OD1-O 3.43Å; H143-G480 PolarHBondContact CE1-O 2.73Å; H143-G480 PolarHBondContact NE2-O 3.45Å; G480-N482 PolarHBondContact O-N 2.96Å; G480-N482 VanDerWaalsContact O-N 3.1Å |
| 481 | G | 97 | Very high | 98.2 | Very high | 7 Ų | 7 | 4.3 Ų | 4.3 | 7% | 0.072 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -18.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N77 S483 | N77-G481 VanDerWaalsContact ND2-C 3.35Å; G481-S483 VanDerWaalsContact C-N 3.29Å; G481-S483 PolarHBondContact O-N 2.74Å |
| 482 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.1 | -21.5 | 179.9 | -83.6 | 3.6 | 0 | 0 | 0 | 114 | N77 F96 T100 L116 R478 L479 G480 L485 E486 | N77-N482 PolarHBondContact ND2-N 2.85Å; N77-N482 PolarHBondContact ND2-OD1 3.34Å; F96-N482 WeakPolarHBondContact CE2-OD1 3.34Å; F96-N482 VanDerWaalsContact CZ-OD1 3.25Å; F96-N482 WeakPolarHBondContact CZ-OD1 3.28Å; T100-N482 WeakPolarHBondContact CG2-ND2 3.47Å; T100-N482 PolarHBondContact OG1-ND2 2.82Å; L116-N482 HydrophobicContact CD2-CB 4.45Å; R478-N482 HydrophobicContact CG-CB 4.35Å; L479-N482 WeakPolarHBondContact O-CB 3.12Å; L479-N482 PolarHBondContact O-N 2.9Å; G480-N482 PolarHBondContact O-N 2.96Å; G480-N482 VanDerWaalsContact O-N 3.1Å; N482-L485 PolarHBondContact O-N 3.47Å; N482-E486 VanDerWaalsContact O-CB 3.3Å; N482-E486 WeakPolarHBondContact O-CB 3.5Å; N482-E486 PolarHBondContact O-N 2.94Å |
| 483 | S | 98.1 | Very high | 98.3 | Very high | 22 Ų | 22 | 6.7 Ų | 6.7 | 15% | 0.154 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 179.6 | 164.8 | 0 | 0 | 0 | 0 | 112.6 | Y439 R478 G481 L485 C487 | Y439-S483 VanDerWaalsContact CE2-OG 3.28Å; Y439-S483 WeakPolarHBondContact CE2-OG 3.47Å; R478-S483 VanDerWaalsContact CZ-CB 3.4Å; G481-S483 VanDerWaalsContact C-N 3.29Å; G481-S483 PolarHBondContact O-N 2.74Å; S483-L485 VanDerWaalsContact C-N 3.3Å; S483-C487 PolarHBondContact O-N 3.42Å; S483-C487 VanDerWaalsContact O-N 3.17Å; S483-C487 PolarHBondContact O-SG 3.28Å |
| 484 | L | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 6.7 Ų | 6.7 | 3% | 0.031 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.3 | -65.7 | -173.5 | 0 | 0 | 0 | 110.7 | L40 A72 I76 I165 C487 V488 | L40-L484 HydrophobicContact CD2-CB 4.02Å; L40-L484 HydrophobicContact CD2-CD2 3.76Å; L40-L484 HydrophobicContact CD2-CG 4.42Å; A72-L484 HydrophobicContact CB-CD1 3.87Å; A72-L484 HydrophobicContact CB-CD2 3.84Å; A72-L484 HydrophobicContact CB-CG 4.08Å; I76-L484 HydrophobicContact CB-CB 4.01Å; I76-L484 HydrophobicContact CB-CD1 4.34Å; I76-L484 HydrophobicContact CD1-CB 4.17Å; I76-L484 HydrophobicContact CG1-CB 4Å; I165-L484 HydrophobicContact CD1-CD1 4.07Å; L484-C487 WeakPolarHBondContact O-CB 3.48Å; L484-C487 PolarHBondContact O-N 2.91Å; L484-V488 WeakPolarHBondContact O-CG2 3.43Å; L484-V488 PolarHBondContact O-N 2.88Å; L484-V488 VanDerWaalsContact O-N 3.13Å |
| 485 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 178.4 | 175.5 | 60.7 | 0 | 0 | 0 | 111.7 | I76 N77 F96 L116 A123 N482 S483 C487 V488 V489 | I76-L485 HydrophobicContact CG1-CB 4.03Å; N77-L485 HydrophobicContact CB-CD2 4.1Å; F96-L485 HydrophobicContact CE1-CD2 3.86Å; F96-L485 HydrophobicContact CZ-CD2 3.75Å; L116-L485 HydrophobicContact CD1-CB 4.4Å; L116-L485 HydrophobicContact CD1-CD2 3.92Å; L116-L485 HydrophobicContact CD1-CG 3.68Å; L116-L485 HydrophobicContact CD2-CD2 4.37Å; L116-L485 HydrophobicContact CG-CD2 3.87Å; L116-L485 HydrophobicContact CG-CG 4.21Å; A123-L485 HydrophobicContact CB-CD1 3.69Å; N482-L485 PolarHBondContact O-N 3.47Å; S483-L485 VanDerWaalsContact C-N 3.3Å; L485-C487 VanDerWaalsContact C-N 3.27Å; L485-C487 PolarHBondContact O-N 2.86Å; L485-V488 PolarHBondContact O-N 3.05Å; L485-V489 HydrophobicContact CD1-CG2 3.65Å; L485-V489 HydrophobicContact CG-CG2 4.22Å; L485-V489 WeakPolarHBondContact O-CG2 3.32Å; L485-V489 PolarHBondContact O-N 2.72Å |
| 486 | E | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.4 | -44.3 | 176.1 | -178.7 | -167.7 | -160.6 | 0 | 0 | 111.1 | L116 Y439 V473 H474 N482 V488 V489 F490 | L116-E486 HydrophobicContact CD1-CB 4.1Å; Y439-E486 PolarHBondContact OH-OE2 2.88Å; V473-E486 HydrophobicContact CG1-CG 4.47Å; V473-E486 HydrophobicContact CG2-CG 4.27Å; V473-E486 WeakPolarHBondContact CG2-OE1 3.3Å; H474-E486 IonicContact CD2-OE2 2.89Å; H474-E486 IonicContact CE1-OE2 3.27Å; H474-E486 VanDerWaalsContact NE2-CD 3.27Å; H474-E486 IonicContact NE2-OE1 3.52Å; H474-E486 IonicContact NE2-OE2 2.74Å; H474-E486 PolarHBondContact NE2-OE2 2.74Å; N482-E486 VanDerWaalsContact O-CB 3.3Å; N482-E486 WeakPolarHBondContact O-CB 3.5Å; N482-E486 PolarHBondContact O-N 2.94Å; E486-V488 VanDerWaalsContact C-N 3.31Å; E486-V488 PolarHBondContact O-N 2.71Å; E486-V489 PolarHBondContact O-N 2.78Å; E486-F490 HydrophobicContact CB-CD2 4.21Å; E486-F490 HydrophobicContact CG-CD2 3.45Å; E486-F490 VanDerWaalsContact CG-CD2 3.45Å; E486-F490 HydrophobicContact CG-CE2 3.95Å; E486-F490 HydrophobicContact CG-CG 4.46Å; E486-F490 WeakPolarHBondContact O-CB 3.2Å; E486-F490 WeakPolarHBondContact O-CD2 3.42Å; E486-F490 PolarHBondContact O-N 2.84Å |
| 487 | C | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 9 Ų | 9 | 5% | 0.047 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.7 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | L40 A41 S44 S483 L484 L485 G491 | L40-C487 HydrophobicContact CB-CB 3.73Å; L40-C487 HydrophobicContact CD2-CB 3.98Å; L40-C487 HydrophobicContact CG-CB 3.69Å; A41-C487 WeakPolarHBondContact CA-O 3.45Å; A41-C487 HydrophobicContact CB-CB 4Å; S44-C487 WeakPolarHBondContact CB-O 3.48Å; S483-C487 PolarHBondContact O-N 3.42Å; S483-C487 VanDerWaalsContact O-N 3.17Å; S483-C487 PolarHBondContact O-SG 3.28Å; L484-C487 WeakPolarHBondContact O-CB 3.48Å; L484-C487 PolarHBondContact O-N 2.91Å; L485-C487 VanDerWaalsContact C-N 3.27Å; L485-C487 PolarHBondContact O-N 2.86Å; C487-G491 VanDerWaalsContact O-CA 3.26Å; C487-G491 WeakPolarHBondContact O-CA 3.47Å; C487-G491 PolarHBondContact O-N 3.03Å; C487-G491 VanDerWaalsContact O-N 3.08Å |
| 488 | V | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 8.9 Ų | 8.9 | 2% | 0.018 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -71.9 | -47.1 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | L40 I76 A123 L127 L484 L485 E486 H492 | L40-V488 HydrophobicContact CD1-CG2 4.19Å; L40-V488 HydrophobicContact CD2-CG2 3.81Å; L40-V488 HydrophobicContact CG-CG2 4.02Å; I76-V488 HydrophobicContact CD1-CG2 3.93Å; A123-V488 HydrophobicContact CB-CB 4.2Å; A123-V488 HydrophobicContact CB-CG1 3.71Å; L127-V488 HydrophobicContact CD1-CG2 4.04Å; L127-V488 HydrophobicContact CD2-CG2 4.48Å; L127-V488 HydrophobicContact CG-CG2 4.42Å; L484-V488 WeakPolarHBondContact O-CG2 3.43Å; L484-V488 PolarHBondContact O-N 2.88Å; L484-V488 VanDerWaalsContact O-N 3.13Å; L485-V488 PolarHBondContact O-N 3.05Å; E486-V488 VanDerWaalsContact C-N 3.31Å; E486-V488 PolarHBondContact O-N 2.71Å; V488-H492 WeakPolarHBondContact O-CB 3.35Å; V488-H492 PolarHBondContact O-N 3.06Å |
| 489 | V | 98.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 9.1 Ų | 9.1 | 4% | 0.042 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.2 | -60.5 | -176.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | L116 A123 L485 E486 H492 I493 | L116-V489 HydrophobicContact CD1-CB 4.45Å; L116-V489 HydrophobicContact CD1-CG2 4.44Å; A123-V489 HydrophobicContact CB-CG2 3.88Å; L485-V489 HydrophobicContact CD1-CG2 3.65Å; L485-V489 HydrophobicContact CG-CG2 4.22Å; L485-V489 WeakPolarHBondContact O-CG2 3.32Å; L485-V489 PolarHBondContact O-N 2.72Å; E486-V489 PolarHBondContact O-N 2.78Å; V489-H492 WeakPolarHBondContact O-CB 3.45Å; V489-H492 PolarHBondContact O-N 2.89Å; V489-I493 HydrophobicContact CG1-CD1 3.97Å; V489-I493 WeakPolarHBondContact O-CG1 3.45Å; V489-I493 PolarHBondContact O-N 3.16Å |
| 490 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -76.8 | -28.4 | -174.9 | -64.3 | -78.1 | 0 | 0 | 0 | 112.2 | L112 L115 L116 T450 A466 V473 E486 H492 I493 A494 | L112-F490 HydrophobicContact CB-CE1 4.47Å; L112-F490 HydrophobicContact CB-CZ 4.06Å; L112-F490 HydrophobicContact CD2-CE1 3.88Å; L112-F490 HydrophobicContact CD2-CZ 4.33Å; L112-F490 WeakPolarHBondContact O-CZ 3.26Å; L115-F490 HydrophobicContact CD2-CE1 3.99Å; L115-F490 HydrophobicContact CG-CE1 4.47Å; L116-F490 HydrophobicContact CB-CE2 4.2Å; L116-F490 HydrophobicContact CB-CZ 4.43Å; L116-F490 HydrophobicContact CD1-CD2 4.44Å; L116-F490 HydrophobicContact CD1-CE2 3.87Å; T450-F490 HydrophobicContact CG2-CB 4.03Å; T450-F490 HydrophobicContact CG2-CD1 3.83Å; T450-F490 HydrophobicContact CG2-CG 4.43Å; A466-F490 HydrophobicContact CB-CB 4.11Å; A466-F490 WeakPolarHBondContact CB-O 3.16Å; V473-F490 HydrophobicContact CG1-CE2 4.08Å; V473-F490 HydrophobicContact CG2-CD2 4.26Å; V473-F490 HydrophobicContact CG2-CE2 3.57Å; V473-F490 HydrophobicContact CG2-CZ 3.79Å; E486-F490 HydrophobicContact CB-CD2 4.21Å; E486-F490 HydrophobicContact CG-CD2 3.45Å; E486-F490 VanDerWaalsContact CG-CD2 3.45Å; E486-F490 HydrophobicContact CG-CE2 3.95Å; E486-F490 HydrophobicContact CG-CG 4.46Å; E486-F490 WeakPolarHBondContact O-CB 3.2Å; E486-F490 WeakPolarHBondContact O-CD2 3.42Å; E486-F490 PolarHBondContact O-N 2.84Å; F490-H492 VanDerWaalsContact C-N 3.32Å; F490-I493 HydrophobicContact CD1-CD1 4.14Å; F490-I493 PolarHBondContact O-N 3.06Å; F490-A494 VanDerWaalsContact O-CB 3.26Å; F490-A494 WeakPolarHBondContact O-CB 3.28Å; F490-A494 PolarHBondContact O-N 3.39Å |
| 491 | G | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A45 C487 I493 A494 G495 | A45-G491 WeakPolarHBondContact CA-O 3.4Å; A45-G491 VanDerWaalsContact CB-O 3.31Å; A45-G491 WeakPolarHBondContact CB-O 3.38Å; A45-G491 PolarHBondContact N-O 3.12Å; C487-G491 VanDerWaalsContact O-CA 3.26Å; C487-G491 WeakPolarHBondContact O-CA 3.47Å; C487-G491 PolarHBondContact O-N 3.03Å; C487-G491 VanDerWaalsContact O-N 3.08Å; G491-I493 PolarHBondContact O-N 3.46Å; G491-A494 PolarHBondContact O-N 2.88Å; G491-G495 PolarHBondContact O-N 2.84Å |
| 492 | H | 98.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 13% | 0.125 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 177 | -173.6 | 71 | 0 | 0 | 0 | 112.6 | A48 R126 V488 V489 F490 G495 L496 | A48-H492 WeakPolarHBondContact CB-O 3.49Å; R126-H492 PolarHBondContact NH1-CE1 2.92Å; R126-H492 PolarHBondContact NH1-NE2 2.9Å; V488-H492 WeakPolarHBondContact O-CB 3.35Å; V488-H492 PolarHBondContact O-N 3.06Å; V489-H492 WeakPolarHBondContact O-CB 3.45Å; V489-H492 PolarHBondContact O-N 2.89Å; F490-H492 VanDerWaalsContact C-N 3.32Å; H492-G495 PolarHBondContact O-N 3.44Å; H492-L496 WeakPolarHBondContact NE2-CD1 3.26Å; H492-L496 WeakPolarHBondContact O-CG 3.49Å; H492-L496 PolarHBondContact O-N 3.25Å |
| 493 | I | 98.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.138 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 177 | -64.9 | 160.1 | 0 | 0 | 0 | 110.5 | L115 T450 V489 F490 G491 G495 L496 E497 | L115-I493 HydrophobicContact CD1-CD1 4.35Å; L115-I493 HydrophobicContact CD2-CD1 3.5Å; L115-I493 VanDerWaalsContact CD2-CD1 3.5Å; L115-I493 HydrophobicContact CG-CD1 3.93Å; T450-I493 HydrophobicContact CG2-CB 4Å; T450-I493 HydrophobicContact CG2-CG2 3.78Å; V489-I493 HydrophobicContact CG1-CD1 3.97Å; V489-I493 WeakPolarHBondContact O-CG1 3.45Å; V489-I493 PolarHBondContact O-N 3.16Å; F490-I493 HydrophobicContact CD1-CD1 4.14Å; F490-I493 PolarHBondContact O-N 3.06Å; G491-I493 PolarHBondContact O-N 3.46Å; I493-G495 VanDerWaalsContact C-N 3.31Å; I493-G495 PolarHBondContact O-N 2.89Å; I493-L496 PolarHBondContact O-N 3.49Å; I493-L496 VanDerWaalsContact O-N 3.14Å; I493-E497 HydrophobicContact CG2-CG 4.03Å; I493-E497 WeakPolarHBondContact O-CG 3.36Å; I493-E497 PolarHBondContact O-N 3.47Å |
| 494 | A | 98.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V225 T450 A466 F490 G491 A498 | V225-A494 HydrophobicContact CG1-CB 3.81Å; V225-A494 HydrophobicContact CG2-CB 4.39Å; T450-A494 HydrophobicContact CG2-CB 4.31Å; T450-A494 WeakPolarHBondContact OG1-CA 3.41Å; T450-A494 VanDerWaalsContact OG1-CB 3.29Å; T450-A494 WeakPolarHBondContact OG1-CB 3.44Å; T450-A494 PolarHBondContact OG1-N 2.94Å; A466-A494 HydrophobicContact CB-CB 4.08Å; F490-A494 VanDerWaalsContact O-CB 3.26Å; F490-A494 WeakPolarHBondContact O-CB 3.28Å; F490-A494 PolarHBondContact O-N 3.39Å; G491-A494 PolarHBondContact O-N 2.88Å; A494-A498 WeakPolarHBondContact O-CB 3.44Å; A494-A498 PolarHBondContact O-N 2.83Å |
| 495 | G | 98.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A45 A49 G491 H492 I493 S499 | A45-G495 VanDerWaalsContact O-CA 3.31Å; A45-G495 WeakPolarHBondContact O-CA 3.25Å; A49-G495 WeakPolarHBondContact CA-O 3.38Å; G491-G495 PolarHBondContact O-N 2.84Å; H492-G495 PolarHBondContact O-N 3.44Å; I493-G495 VanDerWaalsContact C-N 3.31Å; I493-G495 PolarHBondContact O-N 2.89Å; G495-S499 WeakPolarHBondContact O-CB 3.31Å; G495-S499 PolarHBondContact O-N 3.4Å; G495-S499 VanDerWaalsContact O-N 3.11Å; G495-S499 PolarHBondContact O-OG 2.96Å |
| 496 | L | 97.8 | Very high | 86.6 | Confident | 54 Ų | 54 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -50.1 | 176.5 | -75 | -177.8 | 0 | 0 | 0 | 110.8 | A48 H492 I493 A498 S499 R500 | A48-L496 HydrophobicContact CB-CD2 4.26Å; A48-L496 HydrophobicContact CB-CG 3.96Å; H492-L496 WeakPolarHBondContact NE2-CD1 3.26Å; H492-L496 WeakPolarHBondContact O-CG 3.49Å; H492-L496 PolarHBondContact O-N 3.25Å; I493-L496 PolarHBondContact O-N 3.49Å; I493-L496 VanDerWaalsContact O-N 3.14Å; L496-A498 PolarHBondContact O-N 2.9Å; L496-S499 PolarHBondContact O-N 3.06Å; L496-S499 VanDerWaalsContact O-N 3.11Å; L496-S499 PolarHBondContact O-OG 3.41Å; L496-R500 WeakPolarHBondContact O-CG 3.27Å; L496-R500 PolarHBondContact O-N 3.21Å |
| 497 | E | 97.4 | Very high | 84.1 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | -179.9 | -65.2 | -57.5 | 128.6 | 0 | 0 | 112.1 | Q449 Y464 I493 S499 R500 | Q449-E497 HydrophobicContact CB-CG 4.24Å; Q449-E497 PolarHBondContact NE2-OE2 3.48Å; Y464-E497 HydrophobicContact CD1-CB 4.07Å; Y464-E497 HydrophobicContact CE1-CB 3.48Å; Y464-E497 VanDerWaalsContact CE1-CB 3.48Å; Y464-E497 PolarHBondContact OH-O 2.79Å; I493-E497 HydrophobicContact CG2-CG 4.03Å; I493-E497 WeakPolarHBondContact O-CG 3.36Å; I493-E497 PolarHBondContact O-N 3.47Å; E497-S499 VanDerWaalsContact C-N 3.25Å; E497-S499 PolarHBondContact O-N 3.39Å; E497-R500 PolarHBondContact O-N 3.21Å; E497-R500 VanDerWaalsContact O-N 3.17Å; E497-R500 IonicContact OE1-CZ 2.9Å; E497-R500 IonicContact OE1-NE 3.61Å; E497-R500 PolarHBondContact OE1-NE 3.27Å; E497-R500 IonicContact OE1-NH2 3.32Å; E497-R500 PolarHBondContact OE1-NH2 3.41Å; E497-R500 WeakPolarHBondContact OE2-CD 3.47Å; E497-R500 IonicContact OE2-NE 3.53Å; E497-R500 PolarHBondContact OE2-NE 3.41Å |
| 498 | A | 97.6 | Very high | 81.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -32 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V33 A223 V225 Y464 A494 L496 | V33-A498 HydrophobicContact CG1-CB 3.81Å; V33-A498 HydrophobicContact CG2-CB 3.93Å; A223-A498 HydrophobicContact CB-CB 3.8Å; V225-A498 HydrophobicContact CG2-CB 3.81Å; Y464-A498 HydrophobicContact CD2-CB 3.88Å; Y464-A498 HydrophobicContact CE2-CB 3.91Å; A494-A498 WeakPolarHBondContact O-CB 3.44Å; A494-A498 PolarHBondContact O-N 2.83Å; L496-A498 PolarHBondContact O-N 2.9Å |
| 499 | S | 96.4 | Very high | 78.9 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -80.2 | -14.3 | 177.2 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | G52 G495 L496 E497 | G52-S499 WeakPolarHBondContact CA-OG 3.28Å; G495-S499 WeakPolarHBondContact O-CB 3.31Å; G495-S499 PolarHBondContact O-N 3.4Å; G495-S499 VanDerWaalsContact O-N 3.11Å; G495-S499 PolarHBondContact O-OG 2.96Å; L496-S499 PolarHBondContact O-N 3.06Å; L496-S499 VanDerWaalsContact O-N 3.11Å; L496-S499 PolarHBondContact O-OG 3.41Å; E497-S499 VanDerWaalsContact C-N 3.25Å; E497-S499 PolarHBondContact O-N 3.39Å |
| 500 | R | 90.7 | Very high | 76 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | trans | -69 | 138 | -178.6 | -69.1 | -173.8 | -169.9 | -103.7 | 5.1 | 111.8 | K31 L496 E497 | K31-R500 WeakPolarHBondContact CE-O 3.35Å; K31-R500 PolarHBondContact NZ-O 2.97Å; L496-R500 WeakPolarHBondContact O-CG 3.27Å; L496-R500 PolarHBondContact O-N 3.21Å; E497-R500 PolarHBondContact O-N 3.21Å; E497-R500 VanDerWaalsContact O-N 3.17Å; E497-R500 IonicContact OE1-CZ 2.9Å; E497-R500 IonicContact OE1-NE 3.61Å; E497-R500 PolarHBondContact OE1-NE 3.27Å; E497-R500 IonicContact OE1-NH2 3.32Å; E497-R500 PolarHBondContact OE1-NH2 3.41Å; E497-R500 WeakPolarHBondContact OE2-CD 3.47Å; E497-R500 IonicContact OE2-NE 3.53Å; E497-R500 PolarHBondContact OE2-NE 3.41Å | ||
| 501 | R | 72 | Confident | 74.8 | Confident | 131 Ų | 131 | 69 Ų | 69 | 49% | 0.494 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -68 | -50.8 | 176.8 | -69 | -174 | 178.6 | 145.7 | -8.6 | 113.4 | D28 | D28-R501 PolarHBondContact O-NH2 2.83Å; D28-R501 IonicContact OD1-CZ 2.69Å; D28-R501 VanDerWaalsContact OD1-CZ 3.24Å; D28-R501 IonicContact OD1-NE 3.52Å; D28-R501 PolarHBondContact OD1-NE 3.09Å; D28-R501 IonicContact OD1-NH1 3.42Å; D28-R501 IonicContact OD1-NH2 2.71Å; D28-R501 PolarHBondContact OD1-NH2 3.15Å; D28-R501 IonicContact OD2-CZ 3.45Å; D28-R501 IonicContact OD2-NE 2.7Å; D28-R501 IonicContact OD2-NH1 3.2Å; D28-R501 PolarHBondContact OD2-NH1 2.92Å; D28-R501 IonicContact OD2-NH2 3.96Å; D28-R501 PolarHBondContact OD2-NH2 3.45Å |
| 502 | T | 63.4 | Low | 73.6 | Confident | 116 Ų | 116 | 72.6 Ų | 72.6 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -105.4 | 117.6 | 175 | -49.1 | 0 | 0 | 0 | 0 | 108.4 | L504 | T502-L504 PolarHBondContact O-N 3.02Š|
| 503 | P | 58 | Low | 72.2 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 139.8 | 170.5 | -19.8 | 31 | 0 | 0 | 0 | 109.5 | ||
| 504 | L | 54.8 | Low | 70.6 | Confident | 80 Ų | 80 | 78 Ų | 78 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140.8 | 169.1 | -72.4 | 169 | 0 | 0 | 0 | 108.9 | R451 T502 | R451-L504 PolarHBondContact NH1-O 3.09Å; T502-L504 PolarHBondContact O-N 3.02Å |
| 505 | P | 52.4 | Low | 68.8 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 73% | 0.734 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 143.6 | 176.9 | 22.2 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 506 | V | 50 | Low | 66.9 | Low | 64 Ų | 64 | 88.4 Ų | 88.4 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 127.3 | 172 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | V459 K508 | V459-V506 HydrophobicContact CG1-CG2 4.13Å; V459-V506 HydrophobicContact CG2-CG2 3.87Å; V506-K508 PolarHBondContact O-N 3.16Å; V506-K508 VanDerWaalsContact O-N 3.16Å |
| 507 | P | 46.3 | Very low | 64.6 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 40% | 0.403 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 123.8 | 169.4 | -23 | 33.2 | 0 | 0 | 0 | 108.6 | D509 | P507-D509 PolarHBondContact O-N 3.28Š|
| 508 | K | 45.9 | Very low | 62.1 | Low | 204 Ų | 204 | 96.9 Ų | 96.9 | 89% | 0.887 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -70.1 | -12.1 | -179.2 | -79.3 | -172.5 | 175.4 | -177.1 | 0 | 113 | V506 | V506-K508 PolarHBondContact O-N 3.16Å; V506-K508 VanDerWaalsContact O-N 3.16Å |
| 509 | D | 42.8 | Very low | 59.2 | Low | 151 Ų | 151 | 104.9 Ų | 104.9 | 81% | 0.807 | 55% | 0.546 | S | S | * | . | trans | -115.6 | 94.6 | -178.7 | -50 | -38.4 | 0 | 0 | 0 | 107.4 | P507 | P507-D509 PolarHBondContact O-N 3.28Š| ||
| 510 | L | 37.5 | Very low | 55.8 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 85% | 0.853 | 59% | 0.587 | S | S | * | * | trans | -119.1 | 0 | 164.1 | -87.8 | 170.1 | 0 | 0 | 0 | 108.6 |
Retrieved 510 of 510 residues in 113 ms
(Link to these results)