| 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 | 61.3 | Low | 85.2 | Confident | 203 Ų | 203 | 102.5 Ų | 102.5 | 100% | 1 | 59% | 0.59 | S | S | * | * | 0 | -41 | 0 | -97.2 | 169.5 | 63.8 | 0 | 0 | 114 | |||||
| 2 | C | 78.7 | Confident | 86 | Confident | 91 Ų | 91 | 99.8 Ų | 99.8 | 62% | 0.615 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -46.2 | -173.9 | -69 | 0 | 0 | 0 | 0 | 116 | A4 I5 Y6 | C2-A4 PolarHBondContact O-N 3.46Å; C2-I5 PolarHBondContact O-N 3.22Å; C2-Y6 HydrophobicContact CB-CD2 4.46Å; C2-Y6 HydrophobicContact CB-CE2 4.2Å; C2-Y6 WeakPolarHBondContact O-CD2 3.43Å; C2-Y6 PolarHBondContact O-N 3.13Å |
| 3 | A | 79.8 | Confident | 86.8 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.7 | -39.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I5 Y6 I7 | A3-I5 PolarHBondContact O-N 2.86Å; A3-Y6 PolarHBondContact O-N 2.7Å; A3-I7 VanDerWaalsContact O-CG1 3.27Å; A3-I7 WeakPolarHBondContact O-CG1 3.46Å; A3-I7 PolarHBondContact O-N 3.4Å |
| 4 | A | 83.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C2 I7 V8 | C2-A4 PolarHBondContact O-N 3.46Å; A4-I7 PolarHBondContact O-N 2.89Å; A4-V8 WeakPolarHBondContact O-CB 3.26Å; A4-V8 VanDerWaalsContact O-CG2 3.26Å; A4-V8 WeakPolarHBondContact O-CG2 3.07Å; A4-V8 PolarHBondContact O-N 3.19Å |
| 5 | I | 87.4 | Confident | 88.1 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 178.3 | -64 | 169.3 | 0 | 0 | 0 | 110.6 | C2 A3 S9 | C2-I5 PolarHBondContact O-N 3.22Å; A3-I5 PolarHBondContact O-N 2.86Å; I5-S9 VanDerWaalsContact O-CB 3.31Å; I5-S9 WeakPolarHBondContact O-CB 3.31Å; I5-S9 PolarHBondContact O-N 2.71Å; I5-S9 PolarHBondContact O-OG 3.36Å |
| 6 | Y | 88 | Confident | 88.7 | Confident | 163 Ų | 163 | 94.1 Ų | 94.1 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 175.7 | -74.3 | -65.6 | 0 | 0 | 0 | 112.4 | C2 A3 S9 T10 | C2-Y6 HydrophobicContact CB-CD2 4.46Å; C2-Y6 HydrophobicContact CB-CE2 4.2Å; C2-Y6 WeakPolarHBondContact O-CD2 3.43Å; C2-Y6 PolarHBondContact O-N 3.13Å; A3-Y6 PolarHBondContact O-N 2.7Å; Y6-S9 PolarHBondContact O-N 3.31Å; Y6-T10 VanDerWaalsContact O-CB 3.31Å; Y6-T10 WeakPolarHBondContact O-CB 3.31Å; Y6-T10 PolarHBondContact O-N 2.72Å; Y6-T10 PolarHBondContact O-OG1 3.47Å |
| 7 | I | 89.3 | Confident | 89.2 | Confident | 109 Ų | 109 | 92.5 Ų | 92.5 | 56% | 0.559 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | 177.4 | -69.2 | 165.8 | 0 | 0 | 0 | 110.1 | A3 A4 S9 T10 V11 | A3-I7 VanDerWaalsContact O-CG1 3.27Å; A3-I7 WeakPolarHBondContact O-CG1 3.46Å; A3-I7 PolarHBondContact O-N 3.4Å; A4-I7 PolarHBondContact O-N 2.89Å; I7-S9 PolarHBondContact O-N 2.93Å; I7-T10 PolarHBondContact O-N 2.93Å; I7-V11 HydrophobicContact CG2-CG2 4.35Å; I7-V11 WeakPolarHBondContact O-CB 3.26Å; I7-V11 VanDerWaalsContact O-CG2 3.29Å; I7-V11 WeakPolarHBondContact O-CG2 3.31Å; I7-V11 PolarHBondContact O-N 3.4Å |
| 8 | V | 90.6 | Very high | 89.7 | Confident | 90 Ų | 90 | 88 Ų | 88 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A4 T10 V11 T12 | A4-V8 WeakPolarHBondContact O-CB 3.26Å; A4-V8 VanDerWaalsContact O-CG2 3.26Å; A4-V8 WeakPolarHBondContact O-CG2 3.07Å; A4-V8 PolarHBondContact O-N 3.19Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.46Å; V8-V11 PolarHBondContact O-N 3.01Å; V8-T12 WeakPolarHBondContact O-CB 3.49Å; V8-T12 PolarHBondContact O-N 3.18Å; V8-T12 PolarHBondContact O-OG1 3.4Å |
| 9 | S | 91.9 | Very high | 90.1 | Very high | 70 Ų | 70 | 85.9 Ų | 85.9 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | -179.8 | -55 | 0 | 0 | 0 | 0 | 112.2 | I5 Y6 I7 G13 | I5-S9 VanDerWaalsContact O-CB 3.31Å; I5-S9 WeakPolarHBondContact O-CB 3.31Å; I5-S9 PolarHBondContact O-N 2.71Å; I5-S9 PolarHBondContact O-OG 3.36Å; Y6-S9 PolarHBondContact O-N 3.31Å; I7-S9 PolarHBondContact O-N 2.93Å; S9-G13 PolarHBondContact O-N 3.26Å |
| 10 | T | 92.7 | Very high | 90.5 | Very high | 95 Ų | 95 | 86.5 Ų | 86.5 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -45.7 | 179.2 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | Y6 I7 V8 G13 Y14 | Y6-T10 VanDerWaalsContact O-CB 3.31Å; Y6-T10 WeakPolarHBondContact O-CB 3.31Å; Y6-T10 PolarHBondContact O-N 2.72Å; Y6-T10 PolarHBondContact O-OG1 3.47Å; I7-T10 PolarHBondContact O-N 2.93Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.46Å; T10-G13 PolarHBondContact O-N 3.5Å; T10-Y14 WeakPolarHBondContact O-CB 3.26Å; T10-Y14 PolarHBondContact O-N 2.94Å |
| 11 | V | 93.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 83 Ų | 83 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | I7 V8 Y14 V15 | I7-V11 HydrophobicContact CG2-CG2 4.35Å; I7-V11 WeakPolarHBondContact O-CB 3.26Å; I7-V11 VanDerWaalsContact O-CG2 3.29Å; I7-V11 WeakPolarHBondContact O-CG2 3.31Å; I7-V11 PolarHBondContact O-N 3.4Å; V8-V11 PolarHBondContact O-N 3.01Å; V11-Y14 WeakPolarHBondContact O-CB 3.4Å; V11-Y14 PolarHBondContact O-N 3.36Å; V11-V15 HydrophobicContact CG1-CG2 4.39Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.41Å; V11-V15 PolarHBondContact O-N 2.73Å |
| 12 | T | 94.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | V8 Y14 V15 L16 | V8-T12 WeakPolarHBondContact O-CB 3.49Å; V8-T12 PolarHBondContact O-N 3.18Å; V8-T12 PolarHBondContact O-OG1 3.4Å; T12-Y14 VanDerWaalsContact C-N 3.33Å; T12-Y14 PolarHBondContact O-N 3.34Å; T12-V15 PolarHBondContact O-N 2.98Å; T12-L16 HydrophobicContact CG2-CD1 3.88Å; T12-L16 HydrophobicContact CG2-CG 4.33Å; T12-L16 WeakPolarHBondContact O-CB 3.4Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 3.46Å |
| 13 | G | 96.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 79.3 Ų | 79.3 | 32% | 0.32 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 T10 T17 | S9-G13 PolarHBondContact O-N 3.26Å; T10-G13 PolarHBondContact O-N 3.5Å; G13-T17 VanDerWaalsContact O-CB 3.26Å; G13-T17 WeakPolarHBondContact O-CB 3.5Å; G13-T17 PolarHBondContact O-N 3.38Å; G13-T17 PolarHBondContact O-OG1 3.4Å |
| 14 | Y | 96.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.4 | -52.1 | 175 | 169.9 | -104.4 | 0 | 0 | 0 | 112.1 | T10 V11 T12 L16 T17 S18 T213 G214 L215 F218 | T10-Y14 WeakPolarHBondContact O-CB 3.26Å; T10-Y14 PolarHBondContact O-N 2.94Å; V11-Y14 WeakPolarHBondContact O-CB 3.4Å; V11-Y14 PolarHBondContact O-N 3.36Å; T12-Y14 VanDerWaalsContact C-N 3.33Å; T12-Y14 PolarHBondContact O-N 3.34Å; Y14-L16 PolarHBondContact O-N 2.96Å; Y14-T17 PolarHBondContact O-N 2.9Å; Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.13Å; Y14-T213 PolarHBondContact OH-O 3.48Å; Y14-G214 WeakPolarHBondContact OH-CA 3.35Å; Y14-G214 PolarHBondContact OH-O 3.47Å; Y14-L215 HydrophobicContact CE2-CD2 4.16Å; Y14-L215 PolarHBondContact OH-N 3.39Å; Y14-F218 HydrophobicContact CE2-CE2 4.08Å |
| 15 | V | 96.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 75.7 Ų | 75.7 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | -177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | V11 T12 A19 | V11-V15 HydrophobicContact CG1-CG2 4.39Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.41Å; V11-V15 PolarHBondContact O-N 2.73Å; T12-V15 PolarHBondContact O-N 2.98Å; V15-A19 VanDerWaalsContact O-CB 3.26Å; V15-A19 WeakPolarHBondContact O-CB 3.25Å; V15-A19 PolarHBondContact O-N 2.78Å |
| 16 | L | 97.3 | Very high | 95.3 | Very high | 115 Ų | 115 | 75.3 Ų | 75.3 | 60% | 0.602 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 178.5 | -69.6 | 175.5 | 0 | 0 | 0 | 111.7 | T12 Y14 A19 L20 | T12-L16 HydrophobicContact CG2-CD1 3.88Å; T12-L16 HydrophobicContact CG2-CG 4.33Å; T12-L16 WeakPolarHBondContact O-CB 3.4Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 3.46Å; Y14-L16 PolarHBondContact O-N 2.96Å; L16-A19 PolarHBondContact O-N 2.79Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.25Å |
| 17 | T | 97.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 72.9 Ų | 72.9 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 179.3 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | G13 Y14 A19 L20 L21 F218 | G13-T17 VanDerWaalsContact O-CB 3.26Å; G13-T17 WeakPolarHBondContact O-CB 3.5Å; G13-T17 PolarHBondContact O-N 3.38Å; G13-T17 PolarHBondContact O-OG1 3.4Å; Y14-T17 PolarHBondContact O-N 2.9Å; T17-A19 PolarHBondContact O-N 3.46Å; T17-L20 PolarHBondContact O-N 3.46Å; T17-L21 HydrophobicContact CG2-CD1 3.75Å; T17-L21 HydrophobicContact CG2-CG 4.36Å; T17-L21 WeakPolarHBondContact O-CB 3.5Å; T17-L21 VanDerWaalsContact O-CG 3.25Å; T17-L21 WeakPolarHBondContact O-CG 3.31Å; T17-L21 PolarHBondContact O-N 3.2Å; T17-F218 HydrophobicContact CG2-CE1 4.14Å; T17-F218 HydrophobicContact CG2-CZ 4.06Å |
| 18 | S | 97.8 | Very high | 96 | Very high | 11 Ų | 11 | 72.4 Ų | 72.4 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | Y14 L20 L21 L22 G214 P217 | Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.13Å; S18-L20 PolarHBondContact O-N 2.84Å; S18-L21 PolarHBondContact O-N 3.44Å; S18-L22 VanDerWaalsContact O-CB 3.25Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.47Å; S18-G214 WeakPolarHBondContact CB-O 3.46Å; S18-G214 WeakPolarHBondContact OG-CA 3.48Å; S18-G214 PolarHBondContact OG-O 3.08Å; S18-P217 WeakPolarHBondContact O-CG 3.18Å |
| 19 | A | 97.1 | Very high | 96.3 | Very high | 48 Ų | 48 | 69.6 Ų | 69.6 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V15 L16 T17 K23 | V15-A19 VanDerWaalsContact O-CB 3.26Å; V15-A19 WeakPolarHBondContact O-CB 3.25Å; V15-A19 PolarHBondContact O-N 2.78Å; L16-A19 PolarHBondContact O-N 2.79Å; T17-A19 PolarHBondContact O-N 3.46Å; A19-K23 PolarHBondContact O-N 3.34Å |
| 20 | L | 97.6 | Very high | 96.5 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 175.6 | 176 | 64.2 | 0 | 0 | 0 | 110.9 | L16 T17 S18 L22 K23 C24 L27 | L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.25Å; T17-L20 PolarHBondContact O-N 3.46Å; S18-L20 PolarHBondContact O-N 2.84Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.38Å; L20-K23 PolarHBondContact O-N 2.94Å; L20-C24 WeakPolarHBondContact O-CB 3.29Å; L20-C24 PolarHBondContact O-N 2.95Å; L20-L27 HydrophobicContact CD2-CD1 4.48Å; L20-L27 HydrophobicContact CG-CD1 4.35Å |
| 21 | L | 97.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 78.9 Ų | 78.9 | 7% | 0.068 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.8 | -26.8 | -178.2 | -66.4 | 171.8 | 0 | 0 | 0 | 112.7 | T17 S18 K23 C24 P25 L27 L28 P217 F218 | T17-L21 HydrophobicContact CG2-CD1 3.75Å; T17-L21 HydrophobicContact CG2-CG 4.36Å; T17-L21 WeakPolarHBondContact O-CB 3.5Å; T17-L21 VanDerWaalsContact O-CG 3.25Å; T17-L21 WeakPolarHBondContact O-CG 3.31Å; T17-L21 PolarHBondContact O-N 3.2Å; S18-L21 PolarHBondContact O-N 3.44Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-C24 CarbonylContact O-C 3.56Å; L21-P25 VanDerWaalsContact O-CA 3.26Å; L21-P25 WeakPolarHBondContact O-CA 3.47Å; L21-P25 VanDerWaalsContact O-N 3.11Å; L21-L27 HydrophobicContact CD2-CB 3.91Å; L21-L27 HydrophobicContact CD2-CD1 4.19Å; L21-L28 HydrophobicContact CD1-CD1 3.47Å; L21-L28 VanDerWaalsContact CD1-CD1 3.47Å; L21-L28 HydrophobicContact CD1-CG 4.31Å; L21-L28 HydrophobicContact CD2-CD1 3.84Å; L21-L28 HydrophobicContact CD2-CG 3.76Å; L21-L28 HydrophobicContact CG-CD1 4.22Å; L21-P217 HydrophobicContact CB-CB 3.39Å; L21-P217 HydrophobicContact CB-CG 4.29Å; L21-F218 HydrophobicContact CD1-CD1 3.94Å; L21-F218 HydrophobicContact CD1-CE1 3.34Å; L21-F218 HydrophobicContact CD1-CZ 3.73Å |
| 22 | L | 97.7 | Very high | 96.6 | Very high | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 172.2 | -172 | 72.6 | 0 | 0 | 0 | 110.4 | S18 L20 F211 L216 P217 H266 | S18-L22 VanDerWaalsContact O-CB 3.25Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.47Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.38Å; L22-F211 HydrophobicContact CD1-CD2 4.16Å; L22-F211 HydrophobicContact CD1-CE2 4.12Å; L22-F211 HydrophobicContact CD2-CE2 4.2Å; L22-L216 HydrophobicContact CD1-CD2 4.42Å; L22-P217 HydrophobicContact CB-CG 3.85Å; L22-P217 HydrophobicContact CD1-CG 4.03Å; L22-H266 HydrophobicContact CD1-CB 4.07Å; L22-H266 PolarHBondContact O-ND1 3.33Å |
| 23 | K | 96.8 | Very high | 96.4 | Very high | 178 Ų | 178 | 82.7 Ų | 82.7 | 77% | 0.774 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -78.2 | -35.1 | 176.4 | -68.8 | -173.9 | 177.7 | -175.7 | 0 | 113.2 | A19 L20 L21 P25 | A19-K23 PolarHBondContact O-N 3.34Å; L20-K23 PolarHBondContact O-N 2.94Å; L21-K23 VanDerWaalsContact C-N 3.31Å; K23-P25 VanDerWaalsContact O-CD 3.31Å; K23-P25 WeakPolarHBondContact O-CD 3.35Å |
| 24 | C | 97 | Very high | 95.8 | Very high | 51 Ų | 51 | 83.6 Ų | 83.6 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | trans | -121.6 | 63.6 | -175.4 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L20 L21 T26 L27 | L20-C24 WeakPolarHBondContact O-CB 3.29Å; L20-C24 PolarHBondContact O-N 2.95Å; L21-C24 CarbonylContact O-C 3.56Å; C24-T26 PolarHBondContact O-N 3.48Å; C24-T26 VanDerWaalsContact O-N 3.13Å; C24-L27 HydrophobicContact CB-CD1 3.75Å; C24-L27 HydrophobicContact CB-CG 4Å; C24-L27 WeakPolarHBondContact O-CB 3.47Å; C24-L27 WeakPolarHBondContact O-CG 3.27Å; C24-L27 PolarHBondContact O-N 3.18Å | ||
| 25 | P | 97.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.013 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -65.4 | -19.9 | -175.7 | 25 | -33.4 | 0 | 0 | 0 | 113.5 | L21 K23 L27 L28 H29 A269 R270 | L21-P25 VanDerWaalsContact O-CA 3.26Å; L21-P25 WeakPolarHBondContact O-CA 3.47Å; L21-P25 VanDerWaalsContact O-N 3.11Å; K23-P25 VanDerWaalsContact O-CD 3.31Å; K23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-L27 PolarHBondContact O-N 3.14Å; P25-L28 PolarHBondContact O-N 3.04Å; P25-L28 VanDerWaalsContact O-N 3.13Å; P25-H29 PolarHBondContact O-N 2.75Å; P25-A269 HydrophobicContact CG-CB 3.61Å; P25-R270 HydrophobicContact CB-CG 3.56Å; P25-R270 HydrophobicContact CG-CG 3.73Å |
| 26 | T | 95.9 | Very high | 95 | Very high | 88 Ų | 88 | 82.6 Ų | 82.6 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -66 | -14.5 | 177.8 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | C24 L28 H29 | C24-T26 PolarHBondContact O-N 3.48Å; C24-T26 VanDerWaalsContact O-N 3.13Å; T26-L28 VanDerWaalsContact C-N 3.26Å; T26-L28 PolarHBondContact O-N 3.26Å; T26-H29 VanDerWaalsContact CA-O 3.31Å; T26-H29 WeakPolarHBondContact CA-O 3.47Å |
| 27 | L | 96.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 81.4 Ų | 81.4 | 59% | 0.586 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -66.3 | -27.9 | 171.7 | -65.3 | 176.1 | 0 | 0 | 0 | 112.7 | L20 L21 C24 P25 | L20-L27 HydrophobicContact CD2-CD1 4.48Å; L20-L27 HydrophobicContact CG-CD1 4.35Å; L21-L27 HydrophobicContact CD2-CB 3.91Å; L21-L27 HydrophobicContact CD2-CD1 4.19Å; C24-L27 HydrophobicContact CB-CD1 3.75Å; C24-L27 HydrophobicContact CB-CG 4Å; C24-L27 WeakPolarHBondContact O-CB 3.47Å; C24-L27 WeakPolarHBondContact O-CG 3.27Å; C24-L27 PolarHBondContact O-N 3.18Å; P25-L27 PolarHBondContact O-N 3.14Å |
| 28 | L | 96.5 | Very high | 94.7 | Very high | 99 Ų | 99 | 78.2 Ų | 78.2 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -30.7 | 179 | -71.1 | -177.4 | 0 | 0 | 0 | 113.6 | L21 P25 T26 F218 | L21-L28 HydrophobicContact CD1-CD1 3.47Å; L21-L28 VanDerWaalsContact CD1-CD1 3.47Å; L21-L28 HydrophobicContact CD1-CG 4.31Å; L21-L28 HydrophobicContact CD2-CD1 3.84Å; L21-L28 HydrophobicContact CD2-CG 3.76Å; L21-L28 HydrophobicContact CG-CD1 4.22Å; P25-L28 PolarHBondContact O-N 3.04Å; P25-L28 VanDerWaalsContact O-N 3.13Å; T26-L28 VanDerWaalsContact C-N 3.26Å; T26-L28 PolarHBondContact O-N 3.26Å; L28-F218 HydrophobicContact CD1-CD1 4.14Å |
| 29 | H | 96.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 80.3 Ų | 80.3 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -117.1 | 132.5 | -172.1 | -58.5 | -81.3 | 0 | 0 | 0 | 110.8 | P25 T26 R31 P217 M219 R270 | P25-H29 PolarHBondContact O-N 2.75Å; T26-H29 VanDerWaalsContact CA-O 3.31Å; T26-H29 WeakPolarHBondContact CA-O 3.47Å; H29-R31 PolarHBondContact O-N 3.43Å; H29-P217 PolarHBondContact CD2-O 3.49Å; H29-P217 PolarHBondContact NE2-O 3.4Å; H29-M219 PolarHBondContact CE1-O 3.5Å; H29-R270 PolarHBondContact CE1-NH2 3.09Å; H29-R270 PolarHBondContact ND1-NH2 2.82Å |
| 30 | R | 95.3 | Very high | 94.8 | Very high | 237 Ų | 237 | 78.4 Ų | 78.4 | 89% | 0.894 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 130.4 | 167.3 | -171.6 | 176 | 179.6 | 177.6 | 1.4 | 109.4 | K32 | R30-K32 PolarHBondContact O-N 2.89Š|
| 31 | R | 95.4 | Very high | 94.8 | Very high | 124 Ų | 124 | 73.8 Ų | 73.8 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 130.4 | 172 | -170.6 | 175.6 | -175 | -111.9 | -6.4 | 109.3 | H29 E34 | H29-R31 PolarHBondContact O-N 3.43Å; R31-E34 IonicContact CZ-OE1 2.97Å; R31-E34 IonicContact CZ-OE2 3.66Å; R31-E34 VanDerWaalsContact CZ-OE2 3.28Å; R31-E34 IonicContact NH1-OE2 2.65Å; R31-E34 PolarHBondContact NH1-OE2 2.91Å; R31-E34 IonicContact NH2-OE1 3.85Å; R31-E34 PolarHBondContact NH2-OE1 3.31Å; R31-E34 IonicContact NH2-OE2 3.36Å; R31-E34 PolarHBondContact NH2-OE2 3.42Å |
| 32 | K | 94 | Very high | 94.8 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 147.4 | 177.6 | -64.9 | -179.4 | -178.6 | -83.9 | 0 | 110.2 | R30 E34 L221 K222 E223 Q224 R270 I272 | R30-K32 PolarHBondContact O-N 2.89Å; K32-E34 PolarHBondContact O-N 3.33Å; K32-L221 WeakPolarHBondContact CE-O 2.96Å; K32-L221 PolarHBondContact NZ-O 2.98Å; K32-K222 PolarHBondContact NZ-O 3.45Å; K32-K222 VanDerWaalsContact NZ-O 3.08Å; K32-E223 WeakPolarHBondContact CE-O 3.09Å; K32-Q224 HydrophobicContact CD-CG 3.64Å; K32-R270 PolarHBondContact N-O 2.81Å; K32-I272 HydrophobicContact CD-CG1 4.09Å |
| 33 | R | 89.8 | Confident | 94.9 | Very high | 175 Ų | 175 | 71.6 Ų | 71.6 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 122.6 | 174.4 | -175.8 | 179.4 | -179.5 | -176.7 | -0.7 | 108.9 | Q224 | R33-Q224 PolarHBondContact O-NE2 2.97Š|
| 34 | E | 84.2 | Confident | 94.9 | Very high | 50 Ų | 50 | 63.3 Ų | 63.3 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 116.7 | 170.6 | -67.2 | 157.4 | 148.7 | 0 | 0 | 107.5 | R31 K32 L37 | R31-E34 IonicContact CZ-OE1 2.97Å; R31-E34 IonicContact CZ-OE2 3.66Å; R31-E34 VanDerWaalsContact CZ-OE2 3.28Å; R31-E34 IonicContact NH1-OE2 2.65Å; R31-E34 PolarHBondContact NH1-OE2 2.91Å; R31-E34 IonicContact NH2-OE1 3.85Å; R31-E34 PolarHBondContact NH2-OE1 3.31Å; R31-E34 IonicContact NH2-OE2 3.36Å; R31-E34 PolarHBondContact NH2-OE2 3.42Å; K32-E34 PolarHBondContact O-N 3.33Å; E34-L37 HydrophobicContact CB-CD2 4.04Å; E34-L37 HydrophobicContact CG-CD2 4.09Å |
| 35 | R | 84.3 | Confident | 94.9 | Very high | 117 Ų | 117 | 60.9 Ų | 60.9 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -78.7 | -33.9 | 177.9 | -65.7 | -63.5 | -170.2 | 145.5 | 15.8 | 111.8 | D173 | R35-D173 HydrophobicContact CB-CB 4.43Å; R35-D173 WeakPolarHBondContact CB-O 3.32Å; R35-D173 WeakPolarHBondContact CD-OD1 3.22Å; R35-D173 HydrophobicContact CG-CB 4.26Å; R35-D173 IonicContact CZ-OD1 2.91Å; R35-D173 IonicContact CZ-OD2 3.03Å; R35-D173 IonicContact NE-OD1 2.98Å; R35-D173 PolarHBondContact NE-OD1 3.32Å; R35-D173 IonicContact NE-OD2 3.66Å; R35-D173 IonicContact NH1-OD1 3.5Å; R35-D173 IonicContact NH1-OD2 2.73Å; R35-D173 PolarHBondContact NH1-OD2 2.88Å; R35-D173 IonicContact NH2-OD1 2.96Å; R35-D173 PolarHBondContact NH2-OD1 2.99Å; R35-D173 IonicContact NH2-OD2 3.34Å; R35-D173 PolarHBondContact NH2-OD2 2.86Å |
| 36 | F | 92.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | trans | -147.2 | 164.4 | 172.6 | 58.6 | -91.4 | 0 | 0 | 0 | 108.4 | S38 M68 P146 D173 L174 V176 F225 Q273 | F36-S38 WeakPolarHBondContact CD2-OG 3.4Å; F36-S38 WeakPolarHBondContact CE2-OG 3.48Å; F36-M68 HydrophobicContact CE2-SD 3.99Å; F36-M68 HydrophobicContact CZ-SD 4.41Å; F36-P146 HydrophobicContact CB-CG 3.93Å; F36-P146 HydrophobicContact CD1-CB 4.23Å; F36-P146 HydrophobicContact CD1-CG 4.19Å; F36-P146 HydrophobicContact CD2-CB 3.8Å; F36-P146 HydrophobicContact CD2-CG 3.81Å; F36-P146 HydrophobicContact CE1-CB 4.27Å; F36-P146 HydrophobicContact CE2-CB 3.85Å; F36-P146 HydrophobicContact CE2-CG 4.38Å; F36-P146 HydrophobicContact CG-CB 4Å; F36-P146 HydrophobicContact CG-CG 3.7Å; F36-P146 HydrophobicContact CZ-CB 4.09Å; F36-D173 WeakPolarHBondContact CD1-O 3.33Å; F36-L174 HydrophobicContact CD1-CD2 4.33Å; F36-V176 HydrophobicContact CE1-CG2 4.36Å; F36-V176 HydrophobicContact CZ-CG2 3.61Å; F36-F225 HydrophobicContact CE1-CZ 4.33Å; F36-F225 HydrophobicContact CE2-CE1 4.09Å; F36-F225 HydrophobicContact CE2-CZ 4.09Å; F36-F225 HydrophobicContact CZ-CE1 4.09Å; F36-F225 AromaticContact CZ-CZ 3.64Å; F36-F225 HydrophobicContact CZ-CZ 3.64Å; F36-Q273 PolarHBondContact O-NE2 3.49Å | ||
| 37 | L | 93.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | trans | -121.1 | 138 | 172.2 | -66.3 | 175.7 | 0 | 0 | 0 | 108.1 | E34 Q273 | E34-L37 HydrophobicContact CB-CD2 4.04Å; E34-L37 HydrophobicContact CG-CD2 4.09Å; L37-Q273 HydrophobicContact CD2-CG 4.43Å | ||
| 38 | S | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -128.4 | 110.4 | 179.4 | -47.9 | 0 | 0 | 0 | 0 | 109.9 | F36 Y275 T294 G295 | F36-S38 WeakPolarHBondContact CD2-OG 3.4Å; F36-S38 WeakPolarHBondContact CE2-OG 3.48Å; S38-Y275 WeakPolarHBondContact CB-OH 3.24Å; S38-Y275 VanDerWaalsContact O-CE1 3.31Å; S38-Y275 WeakPolarHBondContact O-CE1 3.2Å; S38-T294 VanDerWaalsContact O-O 3.13Å; S38-G295 VanDerWaalsContact O-CA 3.25Å; S38-G295 WeakPolarHBondContact O-CA 3.36Å | ||
| 39 | K | 97.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -96.3 | -34.7 | 171.4 | -75.5 | 169.3 | -179.7 | 161.2 | 0 | 111.2 | D67 T294 G295 V296 M308 I313 S314 K315 | K39-D67 PolarHBondContact N-OD2 2.93Å; K39-T294 WeakPolarHBondContact CA-O 3.34Å; K39-T294 VanDerWaalsContact CG-O 3.22Å; K39-T294 WeakPolarHBondContact CG-O 3.22Å; K39-G295 WeakPolarHBondContact O-CA 3.38Å; K39-V296 PolarHBondContact O-N 3.07Å; K39-M308 HydrophobicContact CB-CE 3.68Å; K39-M308 HydrophobicContact CD-CE 4.47Å; K39-I313 HydrophobicContact CD-CG2 4.45Å; K39-S314 WeakPolarHBondContact CD-O 3.49Å; K39-S314 WeakPolarHBondContact CE-O 3.45Å; K39-S314 PolarHBondContact NZ-O 2.67Å; K39-K315 WeakPolarHBondContact CE-OXT 3.39Å; K39-K315 VanDerWaalsContact NZ-C 3.3Å; K39-K315 PolarHBondContact NZ-OXT 2.91Å |
| 40 | H | 98.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.4 | -178.8 | -175.7 | -86.5 | 0 | 0 | 0 | 110.6 | T66 D67 M68 P301 L304 M308 | H40-T66 WeakPolarHBondContact ND1-CA 3.26Å; H40-T66 VanDerWaalsContact ND1-CB 3.33Å; H40-T66 WeakPolarHBondContact ND1-CB 3.5Å; H40-T66 PolarHBondContact ND1-OG1 2.86Å; H40-T66 PolarHBondContact O-OG1 3.12Å; H40-T66 VanDerWaalsContact O-OG1 3.09Å; H40-D67 PolarHBondContact N-OD2 3.15Å; H40-D67 WeakPolarHBondContact O-CB 3.32Å; H40-D67 PolarHBondContact O-N 2.81Å; H40-M68 PolarHBondContact O-N 2.89Å; H40-P301 PolarHBondContact NE2-O 3.48Å; H40-L304 HydrophobicContact CB-CD2 4.47Å; H40-M308 HydrophobicContact CB-CE 4.37Å; H40-M308 HydrophobicContact CB-SD 3.93Å |
| 41 | I | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.7 | -174.9 | -51.2 | 162.8 | 0 | 0 | 0 | 109.5 | M68 E70 Y275 V296 M297 T298 | I41-M68 WeakPolarHBondContact CA-O 3.49Å; I41-M68 HydrophobicContact CB-CE 4.33Å; I41-M68 HydrophobicContact CD1-CE 3.69Å; I41-M68 HydrophobicContact CG1-CB 4.26Å; I41-M68 HydrophobicContact CG1-CE 3.88Å; I41-M68 HydrophobicContact CG2-CB 4.21Å; I41-M68 HydrophobicContact CG2-CE 3.5Å; I41-M68 HydrophobicContact CG2-CG 4.41Å; I41-E70 HydrophobicContact CG2-CB 4.43Å; I41-Y275 HydrophobicContact CD1-CD1 3.67Å; I41-Y275 HydrophobicContact CD1-CD2 3.7Å; I41-Y275 HydrophobicContact CD1-CE1 3.93Å; I41-Y275 HydrophobicContact CD1-CE2 3.95Å; I41-Y275 HydrophobicContact CD1-CG 3.55Å; I41-V296 WeakPolarHBondContact CB-O 3.42Å; I41-V296 PolarHBondContact N-O 3.34Å; I41-M297 HydrophobicContact CB-CB 3.99Å; I41-M297 HydrophobicContact CB-CG 4.37Å; I41-M297 HydrophobicContact CG2-CB 4.13Å; I41-M297 HydrophobicContact CG2-CE 3.67Å; I41-M297 HydrophobicContact CG2-CG 4.06Å; I41-M297 WeakPolarHBondContact O-CA 3.36Å; I41-T298 PolarHBondContact O-N 3.05Å |
| 42 | S | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 106.1 | -177.9 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | R44 G45 A61 T66 M68 E70 P301 | S42-R44 PolarHBondContact O-N 2.92Å; S42-G45 PolarHBondContact O-N 3.3Å; S42-A61 WeakPolarHBondContact OG-CB 3.34Å; S42-T66 PolarHBondContact N-OG1 2.95Å; S42-T66 WeakPolarHBondContact OG-CB 3.5Å; S42-T66 PolarHBondContact OG-OG1 3.41Å; S42-M68 PolarHBondContact N-O 3.38Å; S42-E70 PolarHBondContact O-N 3.04Å; S42-P301 WeakPolarHBondContact OG-CB 3.44Å |
| 43 | H | 98.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 121.3 | 178.8 | 177.5 | -117.4 | 0 | 0 | 0 | 110.4 | G45 G46 A47 E70 F118 V278 M297 T298 D299 | H43-G45 PolarHBondContact O-N 3.25Å; H43-G46 PolarHBondContact O-N 3.33Å; H43-A47 PolarHBondContact O-N 3.26Å; H43-E70 IonicContact CD2-OE2 2.84Å; H43-E70 PolarHBondContact CD2-OE2 3.5Å; H43-E70 IonicContact CG-OE2 3.57Å; H43-E70 IonicContact NE2-OE2 3.67Å; H43-F118 AromaticContact CE1-CD2 3.77Å; H43-F118 AromaticContact CE1-CE2 3.54Å; H43-F118 AromaticContact NE2-CE2 3.88Å; H43-V278 HydrophobicContact CB-CG1 4.13Å; H43-V278 HydrophobicContact CB-CG2 4.27Å; H43-M297 HydrophobicContact CB-CG 3.67Å; H43-M297 HydrophobicContact CB-SD 4.04Å; H43-T298 WeakPolarHBondContact CB-O 3.46Å; H43-T298 PolarHBondContact N-O 3.33Å; H43-D299 IonicContact CE1-OD1 3.76Å; H43-D299 IonicContact CG-OD1 3.97Å; H43-D299 IonicContact ND1-OD1 3.17Å; H43-D299 PolarHBondContact ND1-OD1 2.9Å |
| 44 | R | 98.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 30.5 | -172.9 | -49.5 | -179.3 | -167.5 | 168.3 | 11.5 | 114 | S42 A47 E52 N53 E70 D72 H85 T117 | S42-R44 PolarHBondContact O-N 2.92Å; R44-A47 HydrophobicContact CB-CB 4.37Å; R44-E52 HydrophobicContact CB-CB 3.88Å; R44-E52 IonicContact CZ-OE1 2.73Å; R44-E52 VanDerWaalsContact NH1-CD 3.32Å; R44-E52 IonicContact NH1-OE1 3.49Å; R44-E52 PolarHBondContact NH1-OE1 2.9Å; R44-E52 IonicContact NH1-OE2 3.39Å; R44-E52 PolarHBondContact NH1-OE2 3.19Å; R44-N53 PolarHBondContact O-N 3.22Å; R44-E70 WeakPolarHBondContact CA-O 3.33Å; R44-E70 PolarHBondContact N-O 3.48Å; R44-E70 PolarHBondContact N-OE2 2.84Å; R44-D72 IonicContact NE-OD2 2.72Å; R44-D72 PolarHBondContact NE-OD2 2.92Å; R44-H85 PolarHBondContact NH2-CD2 3.23Å; R44-H85 PolarHBondContact NH2-NE2 3.21Å; R44-H85 VanDerWaalsContact NH2-NE2 3.12Å; R44-T117 PolarHBondContact NH1-OG1 3.08Å |
| 45 | G | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 11 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S42 H43 A57 | S42-G45 PolarHBondContact O-N 3.3Å; H43-G45 PolarHBondContact O-N 3.25Å; G45-A57 CarbonylContact O-C 3.55Å |
| 46 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 60.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H43 G48 E49 N50 D299 | H43-G46 PolarHBondContact O-N 3.33Å; G46-G48 PolarHBondContact O-N 3.02Å; G46-E49 PolarHBondContact O-N 2.68Å; G46-N50 PolarHBondContact O-N 3.26Å; G46-D299 CarbonylContact C-O 3.56Å; G46-D299 VanDerWaalsContact CA-O 3.26Å; G46-D299 WeakPolarHBondContact CA-O 3.29Å |
| 47 | A | 95.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H43 R44 N50 E52 D299 | H43-A47 PolarHBondContact O-N 3.26Å; R44-A47 HydrophobicContact CB-CB 4.37Å; A47-N50 CarbonylContact C-O 3.53Å; A47-N50 WeakPolarHBondContact CA-O 3.31Å; A47-E52 HydrophobicContact CB-CB 3.66Å; A47-D299 HydrophobicContact CB-CB 4.5Å; A47-D299 PolarHBondContact N-O 2.91Å |
| 48 | G | 95.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 13.3 Ų | 13.3 | 14% | 0.144 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -15.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G46 D299 F300 | G46-G48 PolarHBondContact O-N 3.02Å; G48-D299 WeakPolarHBondContact CA-O 3.47Å; G48-D299 PolarHBondContact N-O 3.01Å; G48-F300 WeakPolarHBondContact O-CE1 3.39Å |
| 49 | E | 95.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 18.6 Ų | 18.6 | 23% | 0.234 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -27.4 | -175.5 | -64.7 | 179.5 | -164.8 | 0 | 0 | 112.6 | G46 H60 F300 P301 T302 | G46-E49 PolarHBondContact O-N 2.68Å; E49-H60 IonicContact OE2-CD2 3.87Å; E49-H60 IonicContact OE2-CE1 2.73Å; E49-H60 IonicContact OE2-NE2 3.08Å; E49-H60 PolarHBondContact OE2-NE2 2.59Å; E49-F300 HydrophobicContact CG-CD1 4.05Å; E49-F300 WeakPolarHBondContact OE1-CA 3.41Å; E49-P301 WeakPolarHBondContact OE1-CD 3.38Å; E49-T302 VanDerWaalsContact CD-OG1 3.31Å; E49-T302 WeakPolarHBondContact OE1-CA 3.32Å; E49-T302 WeakPolarHBondContact OE1-CB 2.97Å; E49-T302 PolarHBondContact OE1-N 3.26Å; E49-T302 PolarHBondContact OE1-OG1 2.8Å; E49-T302 WeakPolarHBondContact OE2-CB 3.33Å; E49-T302 PolarHBondContact OE2-N 2.76Å; E49-T302 PolarHBondContact OE2-OG1 3.42Å |
| 50 | N | 95.6 | Very high | 97.3 | Very high | 46 Ų | 46 | 18.7 Ų | 18.7 | 25% | 0.246 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -140.8 | 165.6 | 174.6 | -77.7 | -84.4 | 0 | 0 | 0 | 110.8 | G46 A47 E52 A57 H60 C124 | G46-N50 PolarHBondContact O-N 3.26Å; A47-N50 CarbonylContact C-O 3.53Å; A47-N50 WeakPolarHBondContact CA-O 3.31Å; N50-E52 PolarHBondContact O-N 3Å; N50-A57 HydrophobicContact CB-CB 3.63Å; N50-H60 PolarHBondContact ND2-CD2 3.24Å; N50-C124 WeakPolarHBondContact CA-SG 3.43Å; N50-C124 PolarHBondContact O-SG 3.48Å |
| 51 | L | 96.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | trans | -56.8 | 123.7 | 174.8 | -61.6 | -174.3 | 0 | 0 | 0 | 109.6 | T54 A57 Y110 L114 K130 | L51-T54 HydrophobicContact CB-CG2 3.82Å; L51-T54 WeakPolarHBondContact O-CG2 3.11Å; L51-T54 PolarHBondContact O-N 2.91Å; L51-T54 PolarHBondContact O-OG1 3Å; L51-A57 WeakPolarHBondContact O-CB 3.31Å; L51-Y110 HydrophobicContact CB-CD2 4.41Å; L51-L114 HydrophobicContact CB-CD1 4.3Å; L51-L114 HydrophobicContact CD2-CB 4.35Å; L51-L114 HydrophobicContact CD2-CD1 3.96Å; L51-L114 HydrophobicContact CD2-CG 3.97Å; L51-K130 HydrophobicContact CD1-CG 4.01Å | ||
| 52 | E | 96.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 142.6 | -174.8 | 65.7 | 179.9 | -112.5 | 0 | 0 | 112.4 | R44 A47 N50 T54 H85 R91 L92 Y110 L114 | R44-E52 HydrophobicContact CB-CB 3.88Å; R44-E52 IonicContact CZ-OE1 2.73Å; R44-E52 VanDerWaalsContact NH1-CD 3.32Å; R44-E52 IonicContact NH1-OE1 3.49Å; R44-E52 PolarHBondContact NH1-OE1 2.9Å; R44-E52 IonicContact NH1-OE2 3.39Å; R44-E52 PolarHBondContact NH1-OE2 3.19Å; A47-E52 HydrophobicContact CB-CB 3.66Å; N50-E52 PolarHBondContact O-N 3Å; E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.97Å; E52-H85 WeakPolarHBondContact OE1-CB 3.39Å; E52-R91 IonicContact OE1-CZ 3.84Å; E52-R91 IonicContact OE1-NH1 3.48Å; E52-R91 PolarHBondContact OE1-NH1 3.27Å; E52-R91 IonicContact OE1-NH2 3.48Å; E52-R91 PolarHBondContact OE1-NH2 2.87Å; E52-R91 IonicContact OE2-CZ 3.64Å; E52-R91 IonicContact OE2-NH1 2.8Å; E52-R91 PolarHBondContact OE2-NH1 2.93Å; E52-R91 IonicContact OE2-NH2 2.77Å; E52-L92 HydrophobicContact CG-CD2 4.2Å; E52-Y110 VanDerWaalsContact O-CE2 3.24Å; E52-Y110 WeakPolarHBondContact O-CE2 3.22Å; E52-L114 HydrophobicContact CG-CD1 4.27Å |
| 53 | N | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.4 | 175.3 | -75 | -49 | 0 | 0 | 0 | 114 | R44 F58 D72 V83 H85 P133 | R44-N53 PolarHBondContact O-N 3.22Å; N53-F58 HydrophobicContact CB-CZ 4.42Å; N53-D72 PolarHBondContact ND2-OD2 3.33Å; N53-V83 HydrophobicContact CB-CG1 3.98Å; N53-V83 WeakPolarHBondContact OD1-CG1 3.33Å; N53-H85 PolarHBondContact ND2-N 3.39Å; N53-P133 WeakPolarHBondContact O-CD 3.23Å; N53-P133 WeakPolarHBondContact O-CG 3.49Å |
| 54 | T | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -111.1 | 160.3 | 172.1 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | L51 E52 A56 A57 F58 Y110 | L51-T54 HydrophobicContact CB-CG2 3.82Å; L51-T54 WeakPolarHBondContact O-CG2 3.11Å; L51-T54 PolarHBondContact O-N 2.91Å; L51-T54 PolarHBondContact O-OG1 3Å; E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.97Å; T54-A56 PolarHBondContact O-N 2.81Å; T54-A57 PolarHBondContact O-N 3.29Å; T54-A57 WeakPolarHBondContact OG1-CB 3.35Å; T54-A57 PolarHBondContact OG1-N 2.89Å; T54-F58 WeakPolarHBondContact O-CD2 3.27Å; T54-F58 WeakPolarHBondContact O-CG 3.49Å; T54-F58 PolarHBondContact O-N 3.41Å; T54-F58 VanDerWaalsContact O-N 3.07Å; T54-Y110 HydrophobicContact CG2-CD2 3.75Å; T54-Y110 HydrophobicContact CG2-CE2 3.71Å |
| 55 | M | 98 | Very high | 97.1 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 23% | 0.232 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 175.1 | -67.5 | -58.6 | -65.3 | 0 | 0 | 111.2 | F58 K59 D129 P133 V138 A141 F142 | M55-F58 PolarHBondContact O-N 3.24Å; M55-F58 HydrophobicContact SD-CD2 4.34Å; M55-K59 WeakPolarHBondContact O-CB 3.32Å; M55-K59 PolarHBondContact O-N 2.83Å; M55-D129 WeakPolarHBondContact CB-OD2 3.32Å; M55-D129 PolarHBondContact N-OD2 3.34Å; M55-P133 HydrophobicContact CG-CB 3.96Å; M55-P133 HydrophobicContact SD-CB 3.91Å; M55-V138 HydrophobicContact SD-CG2 3.76Å; M55-A141 HydrophobicContact CE-CB 3.42Å; M55-A141 VanDerWaalsContact CE-CB 3.42Å; M55-F142 HydrophobicContact CE-CE2 3.73Å; M55-F142 HydrophobicContact CE-CZ 4.23Å |
| 56 | A | 97.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T54 K59 H60 D129 | T54-A56 PolarHBondContact O-N 2.81Å; A56-K59 PolarHBondContact O-N 2.83Å; A56-H60 WeakPolarHBondContact O-CB 3.36Å; A56-H60 PolarHBondContact O-N 3.25Å; A56-D129 HydrophobicContact CB-CB 3.84Å; A56-D129 PolarHBondContact N-OD2 2.74Å |
| 57 | A | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -50.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G45 N50 L51 T54 K59 H60 A61 | G45-A57 CarbonylContact O-C 3.55Å; N50-A57 HydrophobicContact CB-CB 3.63Å; L51-A57 WeakPolarHBondContact O-CB 3.31Å; T54-A57 PolarHBondContact O-N 3.29Å; T54-A57 WeakPolarHBondContact OG1-CB 3.35Å; T54-A57 PolarHBondContact OG1-N 2.89Å; A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 3.17Å; A57-H60 PolarHBondContact O-N 3.18Å; A57-A61 WeakPolarHBondContact O-CB 3.49Å; A57-A61 PolarHBondContact O-N 3.26Å |
| 58 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 178.6 | -60.5 | -42.4 | 0 | 0 | 0 | 112.5 | N53 T54 M55 A61 V62 L69 L71 V83 P133 V138 F142 | N53-F58 HydrophobicContact CB-CZ 4.42Å; T54-F58 WeakPolarHBondContact O-CD2 3.27Å; T54-F58 WeakPolarHBondContact O-CG 3.49Å; T54-F58 PolarHBondContact O-N 3.41Å; T54-F58 VanDerWaalsContact O-N 3.07Å; M55-F58 PolarHBondContact O-N 3.24Å; M55-F58 HydrophobicContact SD-CD2 4.34Å; F58-A61 PolarHBondContact O-N 3.02Å; F58-V62 WeakPolarHBondContact O-CG2 3.34Å; F58-V62 PolarHBondContact O-N 3.14Å; F58-L69 HydrophobicContact CB-CD1 3.98Å; F58-L69 HydrophobicContact CD1-CD1 3.93Å; F58-L69 HydrophobicContact CD1-CD2 4.09Å; F58-L69 HydrophobicContact CD1-CG 4.42Å; F58-L69 HydrophobicContact CG-CD1 4.14Å; F58-L71 HydrophobicContact CE1-CB 4.14Å; F58-L71 HydrophobicContact CZ-CB 3.9Å; F58-L71 HydrophobicContact CZ-CD2 4.13Å; F58-V83 HydrophobicContact CE2-CG1 4.11Å; F58-V83 HydrophobicContact CZ-CG1 3.82Å; F58-P133 HydrophobicContact CE2-CG 4.18Å; F58-V138 HydrophobicContact CD2-CG1 4.22Å; F58-V138 HydrophobicContact CD2-CG2 3.91Å; F58-V138 HydrophobicContact CE2-CG1 4.43Å; F58-V138 HydrophobicContact CE2-CG2 3.78Å; F58-F142 HydrophobicContact CB-CD2 4.19Å; F58-F142 HydrophobicContact CB-CE2 3.41Å; F58-F142 VanDerWaalsContact CB-CE2 3.41Å; F58-F142 HydrophobicContact CB-CZ 3.81Å; F58-F142 HydrophobicContact CG-CE2 4.39Å |
| 59 | K | 98.1 | Very high | 97.4 | Very high | 112 Ų | 112 | 28.3 Ų | 28.3 | 49% | 0.487 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 177.7 | -173.5 | -174.9 | -177.8 | -58.9 | 0 | 111 | M55 A56 A57 A61 V62 D63 F142 | M55-K59 WeakPolarHBondContact O-CB 3.32Å; M55-K59 PolarHBondContact O-N 2.83Å; A56-K59 PolarHBondContact O-N 2.83Å; A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 3.17Å; K59-A61 PolarHBondContact O-N 2.62Å; K59-V62 PolarHBondContact O-N 2.92Å; K59-D63 IonicContact NZ-OD1 3.02Å; K59-D63 IonicContact NZ-OD2 3.99Å; K59-D63 PolarHBondContact NZ-OD2 3.4Å; K59-D63 WeakPolarHBondContact O-CB 3.49Å; K59-D63 PolarHBondContact O-N 2.88Å; K59-F142 HydrophobicContact CB-CE1 4.39Å; K59-F142 HydrophobicContact CB-CZ 4.02Å |
| 60 | H | 97.5 | Very high | 97.6 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 177.5 | 176.4 | 68.3 | 0 | 0 | 0 | 111.8 | E49 N50 A56 A57 V62 D63 L64 | E49-H60 IonicContact OE2-CD2 3.87Å; E49-H60 IonicContact OE2-CE1 2.73Å; E49-H60 IonicContact OE2-NE2 3.08Å; E49-H60 PolarHBondContact OE2-NE2 2.59Å; N50-H60 PolarHBondContact ND2-CD2 3.24Å; A56-H60 WeakPolarHBondContact O-CB 3.36Å; A56-H60 PolarHBondContact O-N 3.25Å; A57-H60 PolarHBondContact O-N 3.18Å; H60-V62 PolarHBondContact O-N 3.17Å; H60-D63 PolarHBondContact O-N 3.24Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.24Å; H60-L64 WeakPolarHBondContact O-CG 3.42Å; H60-L64 PolarHBondContact O-N 3.02Å |
| 61 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S42 A57 F58 K59 G65 T66 L69 | S42-A61 WeakPolarHBondContact OG-CB 3.34Å; A57-A61 WeakPolarHBondContact O-CB 3.49Å; A57-A61 PolarHBondContact O-N 3.26Å; F58-A61 PolarHBondContact O-N 3.02Å; K59-A61 PolarHBondContact O-N 2.62Å; A61-G65 PolarHBondContact O-N 3.39Å; A61-T66 HydrophobicContact CB-CG2 4.04Å; A61-T66 VanDerWaalsContact O-CB 3.25Å; A61-T66 WeakPolarHBondContact O-CB 3.35Å; A61-T66 WeakPolarHBondContact O-CG2 3.44Å; A61-T66 PolarHBondContact O-N 3.36Å; A61-L69 HydrophobicContact CB-CD2 3.79Å |
| 62 | V | 98.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 24 Ų | 24 | 22% | 0.224 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | F58 K59 H60 L64 G65 T66 L69 F142 T145 | F58-V62 WeakPolarHBondContact O-CG2 3.34Å; F58-V62 PolarHBondContact O-N 3.14Å; K59-V62 PolarHBondContact O-N 2.92Å; H60-V62 PolarHBondContact O-N 3.17Å; V62-L64 VanDerWaalsContact C-N 3.27Å; V62-L64 PolarHBondContact O-N 3.24Å; V62-G65 WeakPolarHBondContact O-CA 3.19Å; V62-G65 PolarHBondContact O-N 3.1Å; V62-T66 HydrophobicContact CG2-CG2 4.33Å; V62-L69 HydrophobicContact CG2-CD1 4.07Å; V62-L69 HydrophobicContact CG2-CD2 4.36Å; V62-L69 HydrophobicContact CG2-CG 4.4Å; V62-F142 HydrophobicContact CB-CD1 4.03Å; V62-F142 HydrophobicContact CB-CE1 4.05Å; V62-F142 HydrophobicContact CG1-CD1 4.02Å; V62-F142 HydrophobicContact CG1-CE1 4.33Å; V62-F142 HydrophobicContact CG2-CD1 3.69Å; V62-F142 HydrophobicContact CG2-CE1 4Å; V62-F142 HydrophobicContact CG2-CG 4.16Å; V62-T145 HydrophobicContact CG2-CG2 4.09Å |
| 63 | D | 98 | Very high | 97.9 | Very high | 109 Ų | 109 | 23.9 Ų | 23.9 | 58% | 0.583 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -63.2 | -34 | 177.1 | -71.1 | -18.6 | 0 | 0 | 0 | 112 | K59 H60 G65 | K59-D63 IonicContact NZ-OD1 3.02Å; K59-D63 IonicContact NZ-OD2 3.99Å; K59-D63 PolarHBondContact NZ-OD2 3.4Å; K59-D63 WeakPolarHBondContact O-CB 3.49Å; K59-D63 PolarHBondContact O-N 2.88Å; H60-D63 PolarHBondContact O-N 3.24Å; D63-G65 PolarHBondContact O-N 3.24Å |
| 64 | L | 96.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 24.3 Ų | 24.3 | 20% | 0.199 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.4 | 171 | -70.9 | 170.8 | 0 | 0 | 0 | 113 | H60 V62 P301 T302 K305 | H60-L64 WeakPolarHBondContact NE2-CD1 3.24Å; H60-L64 WeakPolarHBondContact O-CG 3.42Å; H60-L64 PolarHBondContact O-N 3.02Å; V62-L64 VanDerWaalsContact C-N 3.27Å; V62-L64 PolarHBondContact O-N 3.24Å; L64-P301 HydrophobicContact CD1-CB 4.09Å; L64-P301 HydrophobicContact CD1-CG 4.16Å; L64-T302 VanDerWaalsContact CD1-OG1 3.29Å; L64-T302 WeakPolarHBondContact CD1-OG1 3.47Å; L64-K305 HydrophobicContact CB-CD 4.38Å; L64-K305 HydrophobicContact CD2-CD 4.49Å; L64-K305 WeakPolarHBondContact O-CD 3.25Å; L64-K305 WeakPolarHBondContact O-CE 3.49Å |
| 65 | G | 96.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 25 Ų | 25 | 29% | 0.289 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 47.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A61 V62 D63 K315 | A61-G65 PolarHBondContact O-N 3.39Å; V62-G65 WeakPolarHBondContact O-CA 3.19Å; V62-G65 PolarHBondContact O-N 3.1Å; D63-G65 PolarHBondContact O-N 3.24Å; G65-K315 WeakPolarHBondContact O-CE 3.22Å; G65-K315 PolarHBondContact O-NZ 2.96Å |
| 66 | T | 97.4 | Very high | 98 | Very high | 11 Ų | 11 | 23 Ų | 23 | 7% | 0.067 | 13% | 0.128 | C | C | . | . | trans | -61.6 | 149.5 | 165 | -159.6 | 0 | 0 | 0 | 0 | 111.8 | H40 S42 A61 V62 M68 L69 | H40-T66 WeakPolarHBondContact ND1-CA 3.26Å; H40-T66 VanDerWaalsContact ND1-CB 3.33Å; H40-T66 WeakPolarHBondContact ND1-CB 3.5Å; H40-T66 PolarHBondContact ND1-OG1 2.86Å; H40-T66 PolarHBondContact O-OG1 3.12Å; H40-T66 VanDerWaalsContact O-OG1 3.09Å; S42-T66 PolarHBondContact N-OG1 2.95Å; S42-T66 WeakPolarHBondContact OG-CB 3.5Å; S42-T66 PolarHBondContact OG-OG1 3.41Å; A61-T66 HydrophobicContact CB-CG2 4.04Å; A61-T66 VanDerWaalsContact O-CB 3.25Å; A61-T66 WeakPolarHBondContact O-CB 3.35Å; A61-T66 WeakPolarHBondContact O-CG2 3.44Å; A61-T66 PolarHBondContact O-N 3.36Å; V62-T66 HydrophobicContact CG2-CG2 4.33Å; T66-M68 PolarHBondContact OG1-O 2.69Å; T66-L69 HydrophobicContact CG2-CD2 3.77Å; T66-L69 HydrophobicContact CG2-CG 4.37Å | ||
| 67 | D | 98 | Very high | 98 | Very high | 16 Ų | 16 | 28 Ų | 28 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -85.9 | -29.1 | 177.2 | -60.4 | -38.8 | 0 | 0 | 0 | 112 | K39 H40 P146 K315 | K39-D67 PolarHBondContact N-OD2 2.93Å; H40-D67 PolarHBondContact N-OD2 3.15Å; H40-D67 WeakPolarHBondContact O-CB 3.32Å; H40-D67 PolarHBondContact O-N 2.81Å; D67-P146 WeakPolarHBondContact O-CD 2.63Å; D67-P146 VanDerWaalsContact O-CG 3.3Å; D67-P146 WeakPolarHBondContact O-CG 3.34Å; D67-K315 WeakPolarHBondContact OD1-CD 3.37Å; D67-K315 WeakPolarHBondContact OD1-CE 3.44Å; D67-K315 IonicContact OD1-NZ 3.26Å; D67-K315 PolarHBondContact OD1-NZ 2.75Å |
| 68 | M | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 139.9 | -178.6 | -176.3 | 172.6 | 77.9 | 0 | 0 | 110.8 | F36 H40 I41 S42 T66 P146 N148 Y275 | F36-M68 HydrophobicContact CE2-SD 3.99Å; F36-M68 HydrophobicContact CZ-SD 4.41Å; H40-M68 PolarHBondContact O-N 2.89Å; I41-M68 WeakPolarHBondContact CA-O 3.49Å; I41-M68 HydrophobicContact CB-CE 4.33Å; I41-M68 HydrophobicContact CD1-CE 3.69Å; I41-M68 HydrophobicContact CG1-CB 4.26Å; I41-M68 HydrophobicContact CG1-CE 3.88Å; I41-M68 HydrophobicContact CG2-CB 4.21Å; I41-M68 HydrophobicContact CG2-CE 3.5Å; I41-M68 HydrophobicContact CG2-CG 4.41Å; S42-M68 PolarHBondContact N-O 3.38Å; T66-M68 PolarHBondContact OG1-O 2.69Å; M68-P146 WeakPolarHBondContact CA-O 3.38Å; M68-P146 HydrophobicContact CB-CB 4.11Å; M68-P146 HydrophobicContact CG-CB 3.99Å; M68-P146 WeakPolarHBondContact CG-O 3.36Å; M68-N148 HydrophobicContact CE-CB 3.82Å; M68-N148 HydrophobicContact SD-CB 3.97Å; M68-Y275 HydrophobicContact CE-CD2 4.09Å; M68-Y275 HydrophobicContact CE-CE2 3.65Å; M68-Y275 HydrophobicContact SD-CE2 4.42Å |
| 69 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.5 | 166.7 | -60.4 | 173.7 | 0 | 0 | 0 | 109.1 | F58 A61 V62 T66 F142 T145 P146 I147 N148 | F58-L69 HydrophobicContact CB-CD1 3.98Å; F58-L69 HydrophobicContact CD1-CD1 3.93Å; F58-L69 HydrophobicContact CD1-CD2 4.09Å; F58-L69 HydrophobicContact CD1-CG 4.42Å; F58-L69 HydrophobicContact CG-CD1 4.14Å; A61-L69 HydrophobicContact CB-CD2 3.79Å; V62-L69 HydrophobicContact CG2-CD1 4.07Å; V62-L69 HydrophobicContact CG2-CD2 4.36Å; V62-L69 HydrophobicContact CG2-CG 4.4Å; T66-L69 HydrophobicContact CG2-CD2 3.77Å; T66-L69 HydrophobicContact CG2-CG 4.37Å; L69-F142 HydrophobicContact CD1-CD2 4.25Å; L69-T145 HydrophobicContact CD1-CG2 4.26Å; L69-T145 HydrophobicContact CG-CG2 4Å; L69-P146 PolarHBondContact N-O 3.41Å; L69-I147 HydrophobicContact CB-CG1 4.33Å; L69-I147 CarbonylContact O-C 3.56Å; L69-I147 VanDerWaalsContact O-CA 3.31Å; L69-I147 WeakPolarHBondContact O-CA 3.05Å; L69-N148 PolarHBondContact O-N 3.23Å |
| 70 | E | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138 | 162.1 | -176.9 | -83.6 | 174.2 | 0 | 0 | 108.8 | I41 S42 H43 R44 N148 M297 | I41-E70 HydrophobicContact CG2-CB 4.43Å; S42-E70 PolarHBondContact O-N 3.04Å; H43-E70 IonicContact CD2-OE2 2.84Å; H43-E70 PolarHBondContact CD2-OE2 3.5Å; H43-E70 IonicContact CG-OE2 3.57Å; H43-E70 IonicContact NE2-OE2 3.67Å; R44-E70 WeakPolarHBondContact CA-O 3.33Å; R44-E70 PolarHBondContact N-O 3.48Å; R44-E70 PolarHBondContact N-OE2 2.84Å; E70-N148 WeakPolarHBondContact CA-O 3.2Å; E70-N148 HydrophobicContact CB-CB 4.22Å; E70-N148 HydrophobicContact CG-CB 4.17Å; E70-M297 HydrophobicContact CB-CE 3.63Å; E70-M297 HydrophobicContact CB-SD 4.18Å; E70-M297 HydrophobicContact CG-CE 3.7Å; E70-M297 HydrophobicContact CG-SD 4.14Å |
| 71 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.7 | -179.1 | 64.7 | 76.9 | 0 | 0 | 0 | 111.9 | F58 C73 V83 L135 V138 I147 N148 I149 D150 | F58-L71 HydrophobicContact CE1-CB 4.14Å; F58-L71 HydrophobicContact CZ-CB 3.9Å; F58-L71 HydrophobicContact CZ-CD2 4.13Å; L71-C73 VanDerWaalsContact CD1-SG 3.58Å; L71-V83 HydrophobicContact CB-CG1 3.72Å; L71-V83 HydrophobicContact CD1-CG1 4.09Å; L71-V83 HydrophobicContact CD1-CG2 4.39Å; L71-V83 HydrophobicContact CD2-CG1 4.23Å; L71-V83 HydrophobicContact CG-CG1 4.24Å; L71-L135 HydrophobicContact CD1-CD1 3.95Å; L71-L135 HydrophobicContact CD2-CD1 4.17Å; L71-V138 HydrophobicContact CD2-CG1 4.02Å; L71-I147 HydrophobicContact CD1-CG2 4.33Å; L71-I147 HydrophobicContact CD2-CD1 4.4Å; L71-I147 HydrophobicContact CD2-CG2 3.59Å; L71-I147 HydrophobicContact CG-CG2 3.67Å; L71-N148 PolarHBondContact N-O 3.32Å; L71-I149 HydrophobicContact CD1-CB 4.37Å; L71-I149 HydrophobicContact CD1-CG1 4.05Å; L71-I149 HydrophobicContact CD1-CG2 4.1Å; L71-D150 PolarHBondContact O-N 2.93Å |
| 72 | D | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.8 | -172.1 | -51.3 | -72.4 | 0 | 0 | 0 | 110.5 | R44 N53 V83 S84 H85 K152 | R44-D72 IonicContact NE-OD2 2.72Å; R44-D72 PolarHBondContact NE-OD2 2.92Å; N53-D72 PolarHBondContact ND2-OD2 3.33Å; D72-V83 CarbonylContact O-C 3.48Å; D72-V83 WeakPolarHBondContact O-CA 3.23Å; D72-S84 CarbonylContact C-O 3.49Å; D72-S84 WeakPolarHBondContact CB-O 3.01Å; D72-S84 PolarHBondContact O-N 2.98Å; D72-H85 HydrophobicContact CB-CB 4.41Å; D72-H85 IonicContact OD1-CD2 3.16Å; D72-H85 WeakPolarHBondContact OD2-CA 3.38Å; D72-H85 VanDerWaalsContact OD2-CB 3.28Å; D72-H85 WeakPolarHBondContact OD2-CB 3.47Å; D72-H85 IonicContact OD2-CD2 3.35Å; D72-H85 PolarHBondContact OD2-CD2 3.08Å; D72-H85 IonicContact OD2-CG 3.22Å; D72-K152 HydrophobicContact CB-CG 4.08Å; D72-K152 WeakPolarHBondContact OD1-CE 3.3Å; D72-K152 IonicContact OD1-NZ 2.72Å; D72-K152 PolarHBondContact OD1-NZ 3.11Å |
| 73 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.6 | -178.3 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | L71 V81 V82 I149 D150 I151 L158 V162 | L71-C73 VanDerWaalsContact CD1-SG 3.58Å; C73-V81 HydrophobicContact CB-CG1 4.12Å; C73-V82 WeakPolarHBondContact CA-O 3.47Å; C73-I149 HydrophobicContact CB-CG2 4.24Å; C73-D150 PolarHBondContact N-O 2.79Å; C73-I151 HydrophobicContact CB-CD1 4.26Å; C73-L158 HydrophobicContact CB-CD1 4.33Å; C73-V162 HydrophobicContact CB-CG2 4.44Å |
| 74 | H | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 5% | 0.046 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 173.3 | 167 | -66.5 | -92.7 | 0 | 0 | 0 | 110.5 | V82 S84 H85 G87 I99 K152 | H74-V82 HydrophobicContact CB-CG2 4.1Å; H74-V82 PolarHBondContact N-O 3.45Å; H74-V82 PolarHBondContact O-N 3.4Å; H74-S84 PolarHBondContact CD2-O 2.98Å; H74-S84 PolarHBondContact NE2-O 3.11Å; H74-S84 VanDerWaalsContact NE2-O 3.16Å; H74-H85 PolarHBondContact NE2-O 3.02Å; H74-G87 VanDerWaalsContact CE1-CA 3.41Å; H74-G87 WeakPolarHBondContact CE1-CA 3.31Å; H74-G87 PolarHBondContact CE1-N 3.47Å; H74-I99 HydrophobicContact CB-CD1 4.24Å; H74-I99 HydrophobicContact CB-CG2 4.06Å; H74-K152 WeakPolarHBondContact CE1-CB 3.2Å; H74-K152 WeakPolarHBondContact NE2-CB 3.4Å |
| 75 | L | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.9 | 178.2 | -161.4 | 73.1 | 0 | 0 | 0 | 109.8 | E79 V81 S100 T157 L158 K161 | L75-E79 HydrophobicContact CD1-CB 4.4Å; L75-E79 HydrophobicContact CD2-CB 4.43Å; L75-E79 HydrophobicContact CD2-CG 4.36Å; L75-V81 HydrophobicContact CD1-CG2 4Å; L75-S100 WeakPolarHBondContact O-CA 3.23Å; L75-T157 HydrophobicContact CD2-CG2 3.77Å; L75-L158 HydrophobicContact CB-CB 4.27Å; L75-L158 HydrophobicContact CB-CD1 4.17Å; L75-L158 HydrophobicContact CD1-CD1 4.25Å; L75-K161 HydrophobicContact CD1-CG 4.36Å |
| 76 | T | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | trans | -75.9 | 169.9 | 170.6 | 60 | 0 | 0 | 0 | 0 | 111.4 | D78 E79 Q80 V82 I99 L102 L107 | T76-D78 WeakPolarHBondContact CB-OD1 3.31Å; T76-D78 PolarHBondContact O-N 2.85Å; T76-D78 PolarHBondContact OG1-OD1 3.02Å; T76-E79 PolarHBondContact O-N 3.34Å; T76-Q80 HydrophobicContact CG2-CB 4.5Å; T76-Q80 PolarHBondContact N-O 2.97Å; T76-Q80 WeakPolarHBondContact OG1-CA 3.39Å; T76-Q80 WeakPolarHBondContact OG1-CB 3.46Å; T76-Q80 PolarHBondContact OG1-N 3.16Å; T76-Q80 PolarHBondContact OG1-O 3.3Å; T76-V82 HydrophobicContact CG2-CG1 3.6Å; T76-V82 HydrophobicContact CG2-CG2 4.13Å; T76-I99 HydrophobicContact CG2-CG2 4.03Å; T76-L102 VanDerWaalsContact CB-O 3.32Å; T76-L102 WeakPolarHBondContact CB-O 3.41Å; T76-L107 HydrophobicContact CG2-CD1 3.92Å | ||
| 77 | K | 98.4 | Very high | 98.2 | Very high | 142 Ų | 142 | 25.1 Ų | 25.1 | 62% | 0.617 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.6 | 175.6 | -176.3 | 179.4 | 176.3 | -177.7 | 0 | 113.1 | E79 L102 | K77-E79 VanDerWaalsContact C-N 3.25Å; K77-E79 PolarHBondContact O-N 2.84Å; K77-L102 VanDerWaalsContact CB-O 3.29Å; K77-L102 WeakPolarHBondContact CB-O 3.48Å; K77-L102 PolarHBondContact N-O 3.42Å |
| 78 | D | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 35% | 0.348 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 24 | 175.9 | 63 | -26.2 | 0 | 0 | 0 | 113.1 | T76 Q80 T103 Y104 | T76-D78 WeakPolarHBondContact CB-OD1 3.31Å; T76-D78 PolarHBondContact O-N 2.85Å; T76-D78 PolarHBondContact OG1-OD1 3.02Å; D78-Q80 PolarHBondContact O-N 3.14Å; D78-Q80 PolarHBondContact O-NE2 2.87Å; D78-T103 HydrophobicContact CB-CG2 4.06Å; D78-T103 VanDerWaalsContact OD1-CA 3.28Å; D78-T103 WeakPolarHBondContact OD1-CA 3.28Å; D78-Y104 PolarHBondContact OD1-N 2.89Å; D78-Y104 PolarHBondContact OD2-N 3.19Å |
| 79 | E | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 26.5 Ų | 26.5 | 42% | 0.416 | 14% | 0.135 | S | C | . | . | trans | 56.2 | 29.2 | 174.4 | -56 | -168.2 | 162.5 | 0 | 0 | 115.5 | L75 T76 K77 K161 | L75-E79 HydrophobicContact CD1-CB 4.4Å; L75-E79 HydrophobicContact CD2-CB 4.43Å; L75-E79 HydrophobicContact CD2-CG 4.36Å; T76-E79 PolarHBondContact O-N 3.34Å; K77-E79 VanDerWaalsContact C-N 3.25Å; K77-E79 PolarHBondContact O-N 2.84Å; E79-K161 WeakPolarHBondContact OE2-CE 3.33Å; E79-K161 IonicContact OE2-NZ 2.77Å; E79-K161 PolarHBondContact OE2-NZ 3.49Å | ||
| 80 | Q | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.271 | 16% | 0.163 | S | C | . | . | trans | -83.9 | 132 | 170 | -55.2 | -57.6 | -66.8 | 0 | 0 | 109.7 | T76 D78 V82 L134 | T76-Q80 HydrophobicContact CG2-CB 4.5Å; T76-Q80 PolarHBondContact N-O 2.97Å; T76-Q80 WeakPolarHBondContact OG1-CA 3.39Å; T76-Q80 WeakPolarHBondContact OG1-CB 3.46Å; T76-Q80 PolarHBondContact OG1-N 3.16Å; T76-Q80 PolarHBondContact OG1-O 3.3Å; D78-Q80 PolarHBondContact O-N 3.14Å; D78-Q80 PolarHBondContact O-NE2 2.87Å; Q80-V82 PolarHBondContact O-N 3.47Å; Q80-L134 HydrophobicContact CB-CD2 3.66Å; Q80-L134 HydrophobicContact CG-CD2 4.42Å | ||
| 81 | V | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 113.9 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | C73 L75 L134 L135 L158 K161 V162 L165 | C73-V81 HydrophobicContact CB-CG1 4.12Å; L75-V81 HydrophobicContact CD1-CG2 4Å; V81-L134 WeakPolarHBondContact O-CA 3.4Å; V81-L135 HydrophobicContact CB-CB 4.17Å; V81-L135 HydrophobicContact CG1-CB 3.75Å; V81-L135 HydrophobicContact CG1-CD2 3.78Å; V81-L135 HydrophobicContact CG1-CG 4.42Å; V81-L135 PolarHBondContact O-N 2.76Å; V81-L158 HydrophobicContact CG1-CD1 4Å; V81-L158 HydrophobicContact CG2-CD1 4.22Å; V81-K161 HydrophobicContact CG2-CB 3.55Å; V81-V162 HydrophobicContact CG1-CG2 3.72Å; V81-V162 HydrophobicContact CG2-CG2 4.27Å; V81-L165 HydrophobicContact CB-CD1 4.08Å; V81-L165 HydrophobicContact CG2-CD1 4.06Å |
| 82 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.1 | -179.2 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | C73 H74 T76 Q80 I99 Y104 L107 I132 P133 L134 | C73-V82 WeakPolarHBondContact CA-O 3.47Å; H74-V82 HydrophobicContact CB-CG2 4.1Å; H74-V82 PolarHBondContact N-O 3.45Å; H74-V82 PolarHBondContact O-N 3.4Å; T76-V82 HydrophobicContact CG2-CG1 3.6Å; T76-V82 HydrophobicContact CG2-CG2 4.13Å; Q80-V82 PolarHBondContact O-N 3.47Å; V82-I99 HydrophobicContact CG2-CD1 4.4Å; V82-I99 HydrophobicContact CG2-CG2 3.58Å; V82-Y104 HydrophobicContact CG1-CD2 3.55Å; V82-Y104 HydrophobicContact CG1-CE2 3.83Å; V82-L107 HydrophobicContact CG1-CD1 3.92Å; V82-I132 HydrophobicContact CB-CG2 3.86Å; V82-I132 HydrophobicContact CG1-CG2 4.43Å; V82-I132 HydrophobicContact CG2-CG2 4.44Å; V82-P133 WeakPolarHBondContact CA-O 3.32Å; V82-L134 HydrophobicContact CG1-CD2 3.91Å |
| 83 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 107 | -177.8 | -174 | 0 | 0 | 0 | 0 | 109.9 | N53 F58 L71 D72 I132 P133 L135 V138 | N53-V83 HydrophobicContact CB-CG1 3.98Å; N53-V83 WeakPolarHBondContact OD1-CG1 3.33Å; F58-V83 HydrophobicContact CE2-CG1 4.11Å; F58-V83 HydrophobicContact CZ-CG1 3.82Å; L71-V83 HydrophobicContact CB-CG1 3.72Å; L71-V83 HydrophobicContact CD1-CG1 4.09Å; L71-V83 HydrophobicContact CD1-CG2 4.39Å; L71-V83 HydrophobicContact CD2-CG1 4.23Å; L71-V83 HydrophobicContact CG-CG1 4.24Å; D72-V83 CarbonylContact O-C 3.48Å; D72-V83 WeakPolarHBondContact O-CA 3.23Å; V83-I132 WeakPolarHBondContact O-CG2 3.39Å; V83-P133 HydrophobicContact CB-CG 4.08Å; V83-P133 PolarHBondContact N-O 2.85Å; V83-L135 HydrophobicContact CG2-CB 4.11Å; V83-L135 HydrophobicContact CG2-CD1 4.09Å; V83-V138 HydrophobicContact CG2-CG2 4.17Å |
| 84 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -159.8 | 142.2 | -178.1 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | D72 H74 D86 L92 | D72-S84 CarbonylContact C-O 3.49Å; D72-S84 WeakPolarHBondContact CB-O 3.01Å; D72-S84 PolarHBondContact O-N 2.98Å; H74-S84 PolarHBondContact CD2-O 2.98Å; H74-S84 PolarHBondContact NE2-O 3.11Å; H74-S84 VanDerWaalsContact NE2-O 3.16Å; S84-D86 PolarHBondContact OG-O 3.05Å; S84-L92 VanDerWaalsContact OG-CD1 3.31Å; S84-L92 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 85 | H | 96.9 | Very high | 97.6 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -71.7 | -51.7 | 176 | 179.4 | -95.6 | 0 | 0 | 0 | 111.5 | R44 E52 N53 D72 H74 K152 | R44-H85 PolarHBondContact NH2-CD2 3.23Å; R44-H85 PolarHBondContact NH2-NE2 3.21Å; R44-H85 VanDerWaalsContact NH2-NE2 3.12Å; E52-H85 WeakPolarHBondContact OE1-CB 3.39Å; N53-H85 PolarHBondContact ND2-N 3.39Å; D72-H85 HydrophobicContact CB-CB 4.41Å; D72-H85 IonicContact OD1-CD2 3.16Å; D72-H85 WeakPolarHBondContact OD2-CA 3.38Å; D72-H85 VanDerWaalsContact OD2-CB 3.28Å; D72-H85 WeakPolarHBondContact OD2-CB 3.47Å; D72-H85 IonicContact OD2-CD2 3.35Å; D72-H85 PolarHBondContact OD2-CD2 3.08Å; D72-H85 IonicContact OD2-CG 3.22Å; H74-H85 PolarHBondContact NE2-O 3.02Å; H85-K152 WeakPolarHBondContact CD2-CE 3.45Å; H85-K152 PolarHBondContact CD2-NZ 3.29Å; H85-K152 PolarHBondContact NE2-NZ 2.92Å |
| 86 | D | 96.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | trans | -86.3 | 137 | -174.7 | -64.7 | 10.1 | 0 | 0 | 0 | 110 | S84 N88 R91 L92 I99 | S84-D86 PolarHBondContact OG-O 3.05Å; D86-N88 VanDerWaalsContact C-N 3.3Å; D86-N88 WeakPolarHBondContact CB-O 3.44Å; D86-R91 VanDerWaalsContact CG-NH2 3.27Å; D86-R91 IonicContact OD1-CZ 2.86Å; D86-R91 IonicContact OD1-NE 3.59Å; D86-R91 PolarHBondContact OD1-NE 3.34Å; D86-R91 IonicContact OD1-NH2 2.66Å; D86-R91 PolarHBondContact OD1-NH2 3.09Å; D86-R91 WeakPolarHBondContact OD2-CB 3.34Å; D86-R91 IonicContact OD2-CZ 3.77Å; D86-R91 IonicContact OD2-NE 3.43Å; D86-R91 PolarHBondContact OD2-NE 3.38Å; D86-R91 IonicContact OD2-NH2 3.63Å; D86-R91 PolarHBondContact OD2-NH2 2.91Å; D86-L92 HydrophobicContact CB-CD1 4.05Å; D86-I99 VanDerWaalsContact O-CD1 3.3Å; D86-I99 WeakPolarHBondContact O-CD1 3.43Å | ||
| 87 | G | 96.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 49 Ų | 49 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -76.1 | -21.3 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | H74 N98 I99 | H74-G87 VanDerWaalsContact CE1-CA 3.41Å; H74-G87 WeakPolarHBondContact CE1-CA 3.31Å; H74-G87 PolarHBondContact CE1-N 3.47Å; G87-N98 CarbonylContact O-C 3Å; G87-N98 VanDerWaalsContact O-CA 3.27Å; G87-N98 WeakPolarHBondContact O-CA 3.38Å; G87-I99 PolarHBondContact O-N 3.26Å |
| 88 | N | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -106.5 | 133.4 | 177.1 | -175.3 | -81.8 | 0 | 0 | 0 | 110.4 | D86 K90 N96 A97 N98 | D86-N88 VanDerWaalsContact C-N 3.3Å; D86-N88 WeakPolarHBondContact CB-O 3.44Å; N88-K90 PolarHBondContact O-N 3.02Å; N88-K90 WeakPolarHBondContact OD1-CB 3.12Å; N88-K90 PolarHBondContact OD1-N 2.94Å; N88-N96 PolarHBondContact ND2-OD1 2.7Å; N88-A97 WeakPolarHBondContact CA-O 3.29Å; N88-A97 PolarHBondContact ND2-O 3.22Å; N88-N98 PolarHBondContact ND2-OD1 3.25Å |
| 89 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.4 | -171.1 | -63.7 | 169.2 | 0 | 0 | 0 | 113.8 | R91 L92 C93 G94 I95 A97 I99 L102 L107 P108 I132 | L89-R91 PolarHBondContact O-N 2.96Å; L89-L92 PolarHBondContact O-N 3.36Å; L89-C93 HydrophobicContact CB-CB 4.16Å; L89-C93 WeakPolarHBondContact O-CA 3.33Å; L89-C93 WeakPolarHBondContact O-CB 3.4Å; L89-C93 PolarHBondContact O-N 3.44Å; L89-G94 PolarHBondContact O-N 3.41Å; L89-I95 CarbonylContact C-O 3.46Å; L89-I95 WeakPolarHBondContact CB-O 3.33Å; L89-A97 HydrophobicContact CD1-CB 4.48Å; L89-A97 PolarHBondContact N-O 3.03Å; L89-I99 HydrophobicContact CD2-CD1 4.28Å; L89-I99 HydrophobicContact CD2-CG1 3.78Å; L89-I99 HydrophobicContact CG-CG1 4.16Å; L89-L102 HydrophobicContact CD1-CD1 3.64Å; L89-L107 HydrophobicContact CD1-CD2 4.25Å; L89-P108 HydrophobicContact CD1-CG 3.91Å; L89-I132 HydrophobicContact CD2-CD1 3.73Å |
| 90 | K | 97.6 | Very high | 97.5 | Very high | 136 Ų | 136 | 41.3 Ų | 41.3 | 59% | 0.591 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63 | -43.8 | -172.9 | -176.7 | 175.1 | -178.3 | 177.8 | 0 | 112.7 | N88 G94 I95 | N88-K90 PolarHBondContact O-N 3.02Å; N88-K90 WeakPolarHBondContact OD1-CB 3.12Å; N88-K90 PolarHBondContact OD1-N 2.94Å; K90-G94 VanDerWaalsContact O-CA 3.25Å; K90-G94 WeakPolarHBondContact O-CA 3.43Å; K90-G94 PolarHBondContact O-N 2.72Å; K90-G94 VanDerWaalsContact O-N 3.17Å; K90-I95 VanDerWaalsContact CA-O 3.28Å; K90-I95 WeakPolarHBondContact CA-O 3.36Å; K90-I95 PolarHBondContact N-O 3.16Å |
| 91 | R | 96.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71 | -45.1 | 179.4 | -177.1 | 179.3 | 64.2 | 94.1 | -1.4 | 111.4 | E52 D86 L89 | E52-R91 IonicContact OE1-CZ 3.84Å; E52-R91 IonicContact OE1-NH1 3.48Å; E52-R91 PolarHBondContact OE1-NH1 3.27Å; E52-R91 IonicContact OE1-NH2 3.48Å; E52-R91 PolarHBondContact OE1-NH2 2.87Å; E52-R91 IonicContact OE2-CZ 3.64Å; E52-R91 IonicContact OE2-NH1 2.8Å; E52-R91 PolarHBondContact OE2-NH1 2.93Å; E52-R91 IonicContact OE2-NH2 2.77Å; D86-R91 VanDerWaalsContact CG-NH2 3.27Å; D86-R91 IonicContact OD1-CZ 2.86Å; D86-R91 IonicContact OD1-NE 3.59Å; D86-R91 PolarHBondContact OD1-NE 3.34Å; D86-R91 IonicContact OD1-NH2 2.66Å; D86-R91 PolarHBondContact OD1-NH2 3.09Å; D86-R91 WeakPolarHBondContact OD2-CB 3.34Å; D86-R91 IonicContact OD2-CZ 3.77Å; D86-R91 IonicContact OD2-NE 3.43Å; D86-R91 PolarHBondContact OD2-NE 3.38Å; D86-R91 IonicContact OD2-NH2 3.63Å; D86-R91 PolarHBondContact OD2-NH2 2.91Å; L89-R91 PolarHBondContact O-N 2.96Å |
| 92 | L | 95.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -83.3 | -35.5 | -168.8 | -64.3 | 175.1 | 0 | 0 | 0 | 113 | E52 S84 D86 L89 Y110 L111 L114 | E52-L92 HydrophobicContact CG-CD2 4.2Å; S84-L92 VanDerWaalsContact OG-CD1 3.31Å; S84-L92 WeakPolarHBondContact OG-CD1 3.39Å; D86-L92 HydrophobicContact CB-CD1 4.05Å; L89-L92 PolarHBondContact O-N 3.36Å; L92-Y110 HydrophobicContact CB-CD1 3.8Å; L92-Y110 HydrophobicContact CB-CE1 3.71Å; L92-Y110 HydrophobicContact CD1-CE1 3.88Å; L92-Y110 HydrophobicContact CG-CE1 4.26Å; L92-Y110 CarbonylContact O-C 3.56Å; L92-Y110 VanDerWaalsContact O-CA 3.29Å; L92-Y110 WeakPolarHBondContact O-CA 3.29Å; L92-L111 WeakPolarHBondContact O-CG 3.33Å; L92-L111 PolarHBondContact O-N 3.19Å; L92-L114 HydrophobicContact CD2-CD1 3.88Å; L92-L114 HydrophobicContact CD2-CD2 4.13Å |
| 93 | C | 96.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -124.4 | -4.8 | -171.2 | -49.1 | 0 | 0 | 0 | 0 | 113.2 | L89 I95 P108 | L89-C93 HydrophobicContact CB-CB 4.16Å; L89-C93 WeakPolarHBondContact O-CA 3.33Å; L89-C93 WeakPolarHBondContact O-CB 3.4Å; L89-C93 PolarHBondContact O-N 3.44Å; C93-I95 PolarHBondContact O-N 3.22Å; C93-P108 HydrophobicContact CB-CB 4.15Å; C93-P108 HydrophobicContact CB-CG 3.59Å |
| 94 | G | 96.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 76.1 | 2.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | L89 K90 | L89-G94 PolarHBondContact O-N 3.41Å; K90-G94 VanDerWaalsContact O-CA 3.25Å; K90-G94 WeakPolarHBondContact O-CA 3.43Å; K90-G94 PolarHBondContact O-N 2.72Å; K90-G94 VanDerWaalsContact O-N 3.17Å |
| 95 | I | 96.6 | Very high | 97.5 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | trans | -109.3 | 127.2 | -176 | -65.2 | 166.3 | 0 | 0 | 0 | 110 | L89 K90 C93 A97 P108 | L89-I95 CarbonylContact C-O 3.46Å; L89-I95 WeakPolarHBondContact CB-O 3.33Å; K90-I95 VanDerWaalsContact CA-O 3.28Å; K90-I95 WeakPolarHBondContact CA-O 3.36Å; K90-I95 PolarHBondContact N-O 3.16Å; C93-I95 PolarHBondContact O-N 3.22Å; I95-A97 VanDerWaalsContact C-N 3.29Å; I95-A97 HydrophobicContact CG2-CB 4.02Å; I95-A97 PolarHBondContact O-N 2.84Å; I95-P108 HydrophobicContact CD1-CB 3.7Å; I95-P108 HydrophobicContact CD1-CG 3.87Å | ||
| 96 | N | 97.6 | Very high | 97.5 | Very high | 123 Ų | 123 | 56.2 Ų | 56.2 | 66% | 0.658 | 32% | 0.322 | S | S | * | . | trans | -81.8 | 73.1 | 177.2 | -172.2 | 36.4 | 0 | 0 | 0 | 111.8 | N88 | N88-N96 PolarHBondContact ND2-OD1 2.7Š| ||
| 97 | A | 97.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | trans | -137.6 | 154.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N88 L89 I95 L102 | N88-A97 WeakPolarHBondContact CA-O 3.29Å; N88-A97 PolarHBondContact ND2-O 3.22Å; L89-A97 HydrophobicContact CD1-CB 4.48Å; L89-A97 PolarHBondContact N-O 3.03Å; I95-A97 VanDerWaalsContact C-N 3.29Å; I95-A97 HydrophobicContact CG2-CB 4.02Å; I95-A97 PolarHBondContact O-N 2.84Å; A97-L102 HydrophobicContact CB-CD1 4.22Å | ||
| 98 | N | 98.4 | Very high | 97.6 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -94.9 | 146.5 | 174.6 | -48.3 | -60.9 | 0 | 0 | 0 | 110.8 | G87 N88 S100 D101 | G87-N98 CarbonylContact O-C 3Å; G87-N98 VanDerWaalsContact O-CA 3.27Å; G87-N98 WeakPolarHBondContact O-CA 3.38Å; N88-N98 PolarHBondContact ND2-OD1 3.25Å; N98-S100 PolarHBondContact O-N 2.87Å; N98-D101 WeakPolarHBondContact CB-OD2 3.24Å; N98-D101 PolarHBondContact ND2-OD2 3.02Å; N98-D101 WeakPolarHBondContact O-CB 3.42Å; N98-D101 PolarHBondContact O-N 3.19Å |
| 99 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -55.3 | -38.7 | 175.5 | -69.3 | 175 | 0 | 0 | 0 | 111 | H74 T76 V82 D86 G87 L89 D101 L102 L107 | H74-I99 HydrophobicContact CB-CD1 4.24Å; H74-I99 HydrophobicContact CB-CG2 4.06Å; T76-I99 HydrophobicContact CG2-CG2 4.03Å; V82-I99 HydrophobicContact CG2-CD1 4.4Å; V82-I99 HydrophobicContact CG2-CG2 3.58Å; D86-I99 VanDerWaalsContact O-CD1 3.3Å; D86-I99 WeakPolarHBondContact O-CD1 3.43Å; G87-I99 PolarHBondContact O-N 3.26Å; L89-I99 HydrophobicContact CD2-CD1 4.28Å; L89-I99 HydrophobicContact CD2-CG1 3.78Å; L89-I99 HydrophobicContact CG-CG1 4.16Å; I99-D101 PolarHBondContact O-N 3.47Å; I99-D101 VanDerWaalsContact O-N 3.14Å; I99-L102 PolarHBondContact O-N 2.87Å; I99-L107 HydrophobicContact CG1-CD2 4.42Å |
| 100 | S | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -63.8 | -17.2 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | L75 N98 | L75-S100 WeakPolarHBondContact O-CA 3.23Å; N98-S100 PolarHBondContact O-N 2.87Å |
| 101 | D | 98.1 | Very high | 97.5 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -95.7 | -9.4 | -175.6 | -54.8 | -28.7 | 0 | 0 | 0 | 112.1 | N98 I99 | N98-D101 WeakPolarHBondContact CB-OD2 3.24Å; N98-D101 PolarHBondContact ND2-OD2 3.02Å; N98-D101 WeakPolarHBondContact O-CB 3.42Å; N98-D101 PolarHBondContact O-N 3.19Å; I99-D101 PolarHBondContact O-N 3.47Å; I99-D101 VanDerWaalsContact O-N 3.14Å |
| 102 | L | 98.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -119.4 | 146.8 | -174.2 | -59.8 | 178.2 | 0 | 0 | 0 | 111.2 | T76 K77 L89 A97 I99 E106 L107 | T76-L102 VanDerWaalsContact CB-O 3.32Å; T76-L102 WeakPolarHBondContact CB-O 3.41Å; K77-L102 VanDerWaalsContact CB-O 3.29Å; K77-L102 WeakPolarHBondContact CB-O 3.48Å; K77-L102 PolarHBondContact N-O 3.42Å; L89-L102 HydrophobicContact CD1-CD1 3.64Å; A97-L102 HydrophobicContact CB-CD1 4.22Å; I99-L102 PolarHBondContact O-N 2.87Å; L102-E106 HydrophobicContact CB-CB 4.17Å; L102-E106 HydrophobicContact CD2-CB 4.34Å; L102-L107 HydrophobicContact CB-CD2 4.18Å; L102-L107 HydrophobicContact CD1-CD2 4.23Å |
| 103 | T | 98.7 | Very high | 97.4 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | trans | -72.7 | 161.4 | 165.4 | 64 | 0 | 0 | 0 | 0 | 110.6 | D78 A105 E106 L107 | D78-T103 HydrophobicContact CB-CG2 4.06Å; D78-T103 VanDerWaalsContact OD1-CA 3.28Å; D78-T103 WeakPolarHBondContact OD1-CA 3.28Å; T103-A105 VanDerWaalsContact C-N 3.25Å; T103-A105 PolarHBondContact O-N 3.16Å; T103-E106 WeakPolarHBondContact CB-OE2 3.32Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.25Å; T103-E106 PolarHBondContact N-OE2 3.49Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.26Å; T103-E106 WeakPolarHBondContact OG1-CG 3.31Å; T103-E106 PolarHBondContact OG1-OE2 3.38Å; T103-L107 PolarHBondContact O-N 3.42Å | ||
| 104 | Y | 98.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -57.3 | -39.5 | 179.1 | -176.8 | -107.3 | 0 | 0 | 0 | 112.9 | D78 V82 E106 L107 I132 L134 | D78-Y104 PolarHBondContact OD1-N 2.89Å; D78-Y104 PolarHBondContact OD2-N 3.19Å; V82-Y104 HydrophobicContact CG1-CD2 3.55Å; V82-Y104 HydrophobicContact CG1-CE2 3.83Å; Y104-E106 PolarHBondContact O-N 3.34Å; Y104-L107 HydrophobicContact CD2-CD1 3.68Å; Y104-L107 HydrophobicContact CE2-CD1 4.09Å; Y104-L107 WeakPolarHBondContact O-CB 3.48Å; Y104-L107 PolarHBondContact O-N 2.97Å; Y104-I132 WeakPolarHBondContact CE2-O 3.36Å; Y104-I132 PolarHBondContact OH-O 2.89Å; Y104-L134 HydrophobicContact CD1-CD1 4.23Å; Y104-L134 HydrophobicContact CD1-CD2 4.38Å; Y104-L134 HydrophobicContact CD1-CG 4.45Å; Y104-L134 HydrophobicContact CD2-CD2 3.54Å; Y104-L134 HydrophobicContact CD2-CG 4.09Å; Y104-L134 HydrophobicContact CE1-CD1 3.89Å; Y104-L134 HydrophobicContact CE1-CD2 4.4Å; Y104-L134 HydrophobicContact CE1-CG 4.02Å; Y104-L134 HydrophobicContact CE2-CD1 4.39Å; Y104-L134 HydrophobicContact CE2-CD2 3.58Å; Y104-L134 HydrophobicContact CE2-CG 3.64Å; Y104-L134 HydrophobicContact CG-CD2 3.97Å; Y104-L134 HydrophobicContact CG-CG 4.48Å |
| 105 | A | 98.2 | Very high | 97.2 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 79% | 0.793 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -66.7 | -21.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T103 | T103-A105 VanDerWaalsContact C-N 3.25Å; T103-A105 PolarHBondContact O-N 3.16Å |
| 106 | E | 98.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -88.7 | -7.3 | 178.1 | -69.1 | 165.8 | 142.4 | 0 | 0 | 112.7 | L102 T103 Y104 | L102-E106 HydrophobicContact CB-CB 4.17Å; L102-E106 HydrophobicContact CD2-CB 4.34Å; T103-E106 WeakPolarHBondContact CB-OE2 3.32Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.25Å; T103-E106 PolarHBondContact N-OE2 3.49Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.26Å; T103-E106 WeakPolarHBondContact OG1-CG 3.31Å; T103-E106 PolarHBondContact OG1-OE2 3.38Å; Y104-E106 PolarHBondContact O-N 3.34Å |
| 107 | L | 98.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 126.5 | -178.2 | -68.9 | 179.7 | 0 | 0 | 0 | 111.1 | T76 V82 L89 I99 L102 T103 Y104 I132 | T76-L107 HydrophobicContact CG2-CD1 3.92Å; V82-L107 HydrophobicContact CG1-CD1 3.92Å; L89-L107 HydrophobicContact CD1-CD2 4.25Å; I99-L107 HydrophobicContact CG1-CD2 4.42Å; L102-L107 HydrophobicContact CB-CD2 4.18Å; L102-L107 HydrophobicContact CD1-CD2 4.23Å; T103-L107 PolarHBondContact O-N 3.42Å; Y104-L107 HydrophobicContact CD2-CD1 3.68Å; Y104-L107 HydrophobicContact CE2-CD1 4.09Å; Y104-L107 WeakPolarHBondContact O-CB 3.48Å; Y104-L107 PolarHBondContact O-N 2.97Å; L107-I132 HydrophobicContact CB-CD1 4.45Å; L107-I132 HydrophobicContact CD1-CB 4.32Å; L107-I132 HydrophobicContact CD1-CD1 4.24Å; L107-I132 HydrophobicContact CD1-CG2 4.4Å |
| 108 | P | 97.1 | Very high | 96.3 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 159.2 | 178.4 | 32.1 | -35.9 | 0 | 0 | 0 | 111.4 | L89 C93 I95 | L89-P108 HydrophobicContact CD1-CG 3.91Å; C93-P108 HydrophobicContact CB-CB 4.15Å; C93-P108 HydrophobicContact CB-CG 3.59Å; I95-P108 HydrophobicContact CD1-CB 3.7Å; I95-P108 HydrophobicContact CD1-CG 3.87Å |
| 109 | P | 97 | Very high | 95.9 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 155.4 | 170 | 31.6 | -35.1 | 0 | 0 | 0 | 111.2 | K130 | P109-K130 CarbonylContact C-O 3.55Å; P109-K130 VanDerWaalsContact CA-O 3.23Å; P109-K130 WeakPolarHBondContact CA-O 3.31Å; P109-K130 HydrophobicContact CB-CB 3.96Å |
| 110 | Y | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -61 | 155.3 | 168.9 | -70.3 | -13.9 | 0 | 0 | 0 | 112.7 | L51 E52 T54 L92 L114 K130 I132 | L51-Y110 HydrophobicContact CB-CD2 4.41Å; E52-Y110 VanDerWaalsContact O-CE2 3.24Å; E52-Y110 WeakPolarHBondContact O-CE2 3.22Å; T54-Y110 HydrophobicContact CG2-CD2 3.75Å; T54-Y110 HydrophobicContact CG2-CE2 3.71Å; L92-Y110 HydrophobicContact CB-CD1 3.8Å; L92-Y110 HydrophobicContact CB-CE1 3.71Å; L92-Y110 HydrophobicContact CD1-CE1 3.88Å; L92-Y110 HydrophobicContact CG-CE1 4.26Å; L92-Y110 CarbonylContact O-C 3.56Å; L92-Y110 VanDerWaalsContact O-CA 3.29Å; L92-Y110 WeakPolarHBondContact O-CA 3.29Å; Y110-L114 HydrophobicContact CD2-CD1 4.17Å; Y110-L114 HydrophobicContact CG-CD1 4.43Å; Y110-K130 PolarHBondContact N-O 2.91Å; Y110-I132 HydrophobicContact CD1-CG1 4.09Å; Y110-I132 HydrophobicContact CE1-CD1 3.86Å; Y110-I132 HydrophobicContact CE1-CG1 3.4Å |
| 111 | L | 96.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 149.3 | 163.7 | -61.3 | 174.9 | 0 | 0 | 0 | 109.6 | L92 K113 L114 | L92-L111 WeakPolarHBondContact O-CG 3.33Å; L92-L111 PolarHBondContact O-N 3.19Å; L111-K113 PolarHBondContact O-N 2.88Å; L111-K113 VanDerWaalsContact O-N 3.15Å; L111-L114 HydrophobicContact CB-CD2 4.18Å |
| 112 | C | 94.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -73.9 | -0.5 | 177.7 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | E125 G126 | C112-E125 WeakPolarHBondContact O-CA 3.33Å; C112-G126 CarbonylContact C-O 3.51Å; C112-G126 VanDerWaalsContact CA-O 3.24Å; C112-G126 WeakPolarHBondContact CA-O 3.37Å; C112-G126 WeakPolarHBondContact CB-O 3.49Å; C112-G126 PolarHBondContact O-N 2.95Å |
| 113 | K | 95.2 | Very high | 94.3 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 116 | -179 | -177.9 | 168.6 | -175.6 | 158.3 | 0 | 109.7 | L111 F123 C124 E125 | L111-K113 PolarHBondContact O-N 2.88Å; L111-K113 VanDerWaalsContact O-N 3.15Å; K113-F123 HydrophobicContact CD-CB 4.43Å; K113-F123 HydrophobicContact CD-CD1 4.47Å; K113-F123 VanDerWaalsContact CE-CG 3.44Å; K113-F123 HydrophobicContact CG-CB 4.05Å; K113-F123 HydrophobicContact CG-CD1 4.1Å; K113-F123 HydrophobicContact CG-CG 4.36Å; K113-C124 WeakPolarHBondContact CA-O 3.04Å; K113-E125 HydrophobicContact CB-CG 4.36Å; K113-E125 HydrophobicContact CD-CG 3.96Å; K113-E125 WeakPolarHBondContact CD-OE1 3.21Å; K113-E125 WeakPolarHBondContact CE-OE1 3.3Å; K113-E125 HydrophobicContact CG-CG 3.94Å; K113-E125 IonicContact NZ-OE1 2.67Å; K113-E125 PolarHBondContact NZ-OE1 2.85Å |
| 114 | L | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.7 | -179.9 | -63 | -179.8 | 0 | 0 | 0 | 110.3 | L51 E52 L92 Y110 L111 F123 C124 | L51-L114 HydrophobicContact CB-CD1 4.3Å; L51-L114 HydrophobicContact CD2-CB 4.35Å; L51-L114 HydrophobicContact CD2-CD1 3.96Å; L51-L114 HydrophobicContact CD2-CG 3.97Å; E52-L114 HydrophobicContact CG-CD1 4.27Å; L92-L114 HydrophobicContact CD2-CD1 3.88Å; L92-L114 HydrophobicContact CD2-CD2 4.13Å; Y110-L114 HydrophobicContact CD2-CD1 4.17Å; Y110-L114 HydrophobicContact CG-CD1 4.43Å; L111-L114 HydrophobicContact CB-CD2 4.18Å; L114-F123 CarbonylContact O-C 3.51Å; L114-F123 VanDerWaalsContact O-CA 3.24Å; L114-F123 WeakPolarHBondContact O-CA 3.46Å; L114-C124 PolarHBondContact N-O 2.72Å; L114-C124 PolarHBondContact O-N 3.22Å |
| 115 | G | 93.8 | Very high | 93.5 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 116 | V | 93.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | trans | -82.4 | 123.6 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | F118 Q119 C122 D299 | V116-F118 PolarHBondContact O-N 3.01Å; V116-Q119 HydrophobicContact CB-CB 4.25Å; V116-Q119 HydrophobicContact CG1-CB 3.98Å; V116-Q119 VanDerWaalsContact O-O 3.14Å; V116-C122 HydrophobicContact CB-CB 4.16Å; V116-C122 HydrophobicContact CG2-CB 4.29Å; V116-C122 PolarHBondContact N-O 3.47Å; V116-D299 HydrophobicContact CG1-CB 3.96Å; V116-D299 WeakPolarHBondContact CG1-OD2 3.42Å | ||
| 117 | T | 89.8 | Confident | 91.3 | Very high | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -39.4 | -167.6 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | R44 | R44-T117 PolarHBondContact NH1-OG1 3.08Š|
| 118 | F | 90.1 | Very high | 90.5 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 25.2 | -174.3 | -58.2 | -80.5 | 0 | 0 | 0 | 112.8 | H43 V116 L237 W277 V278 N280 | H43-F118 AromaticContact CE1-CD2 3.77Å; H43-F118 AromaticContact CE1-CE2 3.54Å; H43-F118 AromaticContact NE2-CE2 3.88Å; V116-F118 PolarHBondContact O-N 3.01Å; F118-L237 HydrophobicContact CD1-CD1 3.93Å; F118-L237 WeakPolarHBondContact O-CD2 3.2Å; F118-W277 HydrophobicContact CE1-CE3 4.39Å; F118-W277 AromaticContact CE1-CZ3 3.94Å; F118-W277 HydrophobicContact CE1-CZ3 3.94Å; F118-W277 HydrophobicContact CZ-CE3 4.14Å; F118-W277 AromaticContact CZ-CZ3 3.65Å; F118-W277 HydrophobicContact CZ-CZ3 3.65Å; F118-V278 HydrophobicContact CB-CB 3.9Å; F118-V278 HydrophobicContact CB-CG1 4.34Å; F118-V278 HydrophobicContact CD1-CB 4.41Å; F118-V278 HydrophobicContact CD2-CB 3.58Å; F118-V278 HydrophobicContact CD2-CG1 4.23Å; F118-V278 HydrophobicContact CD2-CG2 3.35Å; F118-V278 HydrophobicContact CE2-CB 4.21Å; F118-V278 HydrophobicContact CE2-CG2 3.49Å; F118-V278 VanDerWaalsContact CE2-CG2 3.49Å; F118-V278 HydrophobicContact CG-CB 3.71Å; F118-V278 HydrophobicContact CG-CG2 3.94Å; F118-V278 HydrophobicContact CZ-CG2 4.19Å; F118-N280 PolarHBondContact O-ND2 2.93Å |
| 119 | Q | 89.4 | Confident | 90.3 | Very high | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -140.2 | 122.6 | 171.9 | -170.6 | 70.4 | -2.5 | 0 | 0 | 110.3 | V116 E121 C122 F300 | V116-Q119 HydrophobicContact CB-CB 4.25Å; V116-Q119 HydrophobicContact CG1-CB 3.98Å; V116-Q119 VanDerWaalsContact O-O 3.14Å; Q119-E121 PolarHBondContact O-N 3.5Å; Q119-C122 HydrophobicContact CB-CB 3.63Å; Q119-C122 HydrophobicContact CG-CB 3.38Å; Q119-F300 HydrophobicContact CB-CE2 4.39Å; Q119-F300 HydrophobicContact CG-CE2 4.38Å; Q119-F300 HydrophobicContact CG-CZ 4.44Å |
| 120 | R | 87.3 | Confident | 90.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 137.7 | -178.9 | -76.5 | -174.3 | 59.8 | -164.6 | -9.8 | 111.2 | C122 K236 L237 K238 P240 | R120-C122 PolarHBondContact O-N 2.69Å; R120-K236 WeakPolarHBondContact CD-O 3.46Å; R120-L237 WeakPolarHBondContact CD-O 3.04Å; R120-L237 WeakPolarHBondContact CG-O 3.41Å; R120-K238 PolarHBondContact NH1-O 2.67Å; R120-P240 VanDerWaalsContact NH1-CD 3.3Å |
| 121 | E | 86.4 | Confident | 90.2 | Very high | 159 Ų | 159 | 72.5 Ų | 72.5 | 74% | 0.743 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 26.1 | 172.2 | -64.6 | 161.1 | -144.4 | 0 | 0 | 112.6 | Q119 | Q119-E121 PolarHBondContact O-N 3.5Š|
| 122 | C | 91.4 | Very high | 90.3 | Very high | 30 Ų | 30 | 69 Ų | 69 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -108.2 | 135.7 | -178.4 | -175.7 | 0 | 0 | 0 | 0 | 110 | V116 Q119 R120 | V116-C122 HydrophobicContact CB-CB 4.16Å; V116-C122 HydrophobicContact CG2-CB 4.29Å; V116-C122 PolarHBondContact N-O 3.47Å; Q119-C122 HydrophobicContact CB-CB 3.63Å; Q119-C122 HydrophobicContact CG-CB 3.38Å; R120-C122 PolarHBondContact O-N 2.69Å | ||
| 123 | F | 93.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 66 Ų | 66 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.3 | 178.2 | -61.4 | -93.8 | 0 | 0 | 0 | 108.3 | K113 L114 | K113-F123 HydrophobicContact CD-CB 4.43Å; K113-F123 HydrophobicContact CD-CD1 4.47Å; K113-F123 VanDerWaalsContact CE-CG 3.44Å; K113-F123 HydrophobicContact CG-CB 4.05Å; K113-F123 HydrophobicContact CG-CD1 4.1Å; K113-F123 HydrophobicContact CG-CG 4.36Å; L114-F123 CarbonylContact O-C 3.51Å; L114-F123 VanDerWaalsContact O-CA 3.24Å; L114-F123 WeakPolarHBondContact O-CA 3.46Å |
| 124 | C | 92.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.5 | 161.9 | -177.1 | 0 | 0 | 0 | 0 | 108 | N50 K113 L114 | N50-C124 WeakPolarHBondContact CA-SG 3.43Å; N50-C124 PolarHBondContact O-SG 3.48Å; K113-C124 WeakPolarHBondContact CA-O 3.04Å; L114-C124 PolarHBondContact N-O 2.72Å; L114-C124 PolarHBondContact O-N 3.22Å |
| 125 | E | 89.8 | Confident | 90.8 | Very high | 133 Ų | 133 | 61.2 Ų | 61.2 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.7 | 174.1 | -65.6 | -174.4 | 176.3 | 0 | 0 | 109.2 | C112 K113 | C112-E125 WeakPolarHBondContact O-CA 3.33Å; K113-E125 HydrophobicContact CB-CG 4.36Å; K113-E125 HydrophobicContact CD-CG 3.96Å; K113-E125 WeakPolarHBondContact CD-OE1 3.21Å; K113-E125 WeakPolarHBondContact CE-OE1 3.3Å; K113-E125 HydrophobicContact CG-CG 3.94Å; K113-E125 IonicContact NZ-OE1 2.67Å; K113-E125 PolarHBondContact NZ-OE1 2.85Å |
| 126 | G | 83.1 | Confident | 91 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | trans | 146 | -151.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | C112 | C112-G126 CarbonylContact C-O 3.51Å; C112-G126 VanDerWaalsContact CA-O 3.24Å; C112-G126 WeakPolarHBondContact CA-O 3.37Å; C112-G126 WeakPolarHBondContact CB-O 3.49Å; C112-G126 PolarHBondContact O-N 2.95Å | ||
| 127 | G | 66.6 | Low | 91.3 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | trans | 106.3 | 78.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D129 K130 | G127-D129 VanDerWaalsContact C-N 3.28Å; G127-K130 WeakPolarHBondContact O-CD 3.43Å; G127-K130 WeakPolarHBondContact O-CG 3.22Å | ||
| 128 | E | 81.6 | Confident | 91.7 | Very high | 209 Ų | 209 | 63.9 Ų | 63.9 | 98% | 0.977 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -62.8 | -44.2 | 152.4 | -67.4 | -168.9 | 164.4 | 0 | 0 | 109.2 | ||
| 129 | D | 92.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -89.9 | 118.6 | 167.3 | -173 | 19 | 0 | 0 | 0 | 110.8 | M55 A56 G127 R131 | M55-D129 WeakPolarHBondContact CB-OD2 3.32Å; M55-D129 PolarHBondContact N-OD2 3.34Å; A56-D129 HydrophobicContact CB-CB 3.84Å; A56-D129 PolarHBondContact N-OD2 2.74Å; G127-D129 VanDerWaalsContact C-N 3.28Å; D129-R131 PolarHBondContact OD1-N 3.29Å; D129-R131 VanDerWaalsContact OD1-N 3.14Å | ||
| 130 | K | 95.3 | Very high | 92.6 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | trans | -127.3 | 13 | 178 | -60.3 | -175.6 | -65.3 | 177.3 | 0 | 111.6 | L51 P109 Y110 G127 | L51-K130 HydrophobicContact CD1-CG 4.01Å; P109-K130 CarbonylContact C-O 3.55Å; P109-K130 VanDerWaalsContact CA-O 3.23Å; P109-K130 WeakPolarHBondContact CA-O 3.31Å; P109-K130 HydrophobicContact CB-CB 3.96Å; Y110-K130 PolarHBondContact N-O 2.91Å; G127-K130 WeakPolarHBondContact O-CD 3.43Å; G127-K130 WeakPolarHBondContact O-CG 3.22Å | ||
| 131 | R | 96.4 | Very high | 93.1 | Very high | 175 Ų | 175 | 62 Ų | 62 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | trans | -87.7 | 144.9 | -177.1 | -65.9 | -175.6 | -64 | 173.4 | 2 | 109.8 | D129 P133 | D129-R131 PolarHBondContact OD1-N 3.29Å; D129-R131 VanDerWaalsContact OD1-N 3.14Å; R131-P133 VanDerWaalsContact O-CD 3.31Å; R131-P133 WeakPolarHBondContact O-CD 3.4Å | ||
| 132 | I | 98.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -72.5 | 115.6 | 165.4 | -57.5 | 179.1 | 0 | 0 | 0 | 106.9 | V82 V83 L89 Y104 L107 Y110 | V82-I132 HydrophobicContact CB-CG2 3.86Å; V82-I132 HydrophobicContact CG1-CG2 4.43Å; V82-I132 HydrophobicContact CG2-CG2 4.44Å; V83-I132 WeakPolarHBondContact O-CG2 3.39Å; L89-I132 HydrophobicContact CD2-CD1 3.73Å; Y104-I132 WeakPolarHBondContact CE2-O 3.36Å; Y104-I132 PolarHBondContact OH-O 2.89Å; L107-I132 HydrophobicContact CB-CD1 4.45Å; L107-I132 HydrophobicContact CD1-CB 4.32Å; L107-I132 HydrophobicContact CD1-CD1 4.24Å; L107-I132 HydrophobicContact CD1-CG2 4.4Å; Y110-I132 HydrophobicContact CD1-CG1 4.09Å; Y110-I132 HydrophobicContact CE1-CD1 3.86Å; Y110-I132 HydrophobicContact CE1-CG1 3.4Å | ||
| 133 | P | 98.4 | Very high | 94 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -76.6 | 154.2 | -177.4 | 22.1 | -18.6 | 0 | 0 | 0 | 111.6 | N53 M55 F58 V82 V83 R131 V138 | N53-P133 WeakPolarHBondContact O-CD 3.23Å; N53-P133 WeakPolarHBondContact O-CG 3.49Å; M55-P133 HydrophobicContact CG-CB 3.96Å; M55-P133 HydrophobicContact SD-CB 3.91Å; F58-P133 HydrophobicContact CE2-CG 4.18Å; V82-P133 WeakPolarHBondContact CA-O 3.32Å; V83-P133 HydrophobicContact CB-CG 4.08Å; V83-P133 PolarHBondContact N-O 2.85Å; R131-P133 VanDerWaalsContact O-CD 3.31Å; R131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-V138 HydrophobicContact CB-CG2 4.25Å; P133-V138 HydrophobicContact CG-CG2 4.5Å | ||
| 134 | L | 98.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 144.4 | 164.9 | -65.2 | 167.6 | 0 | 0 | 0 | 109.4 | Q80 V81 V82 Y104 R136 D137 V138 | Q80-L134 HydrophobicContact CB-CD2 3.66Å; Q80-L134 HydrophobicContact CG-CD2 4.42Å; V81-L134 WeakPolarHBondContact O-CA 3.4Å; V82-L134 HydrophobicContact CG1-CD2 3.91Å; Y104-L134 HydrophobicContact CD1-CD1 4.23Å; Y104-L134 HydrophobicContact CD1-CD2 4.38Å; Y104-L134 HydrophobicContact CD1-CG 4.45Å; Y104-L134 HydrophobicContact CD2-CD2 3.54Å; Y104-L134 HydrophobicContact CD2-CG 4.09Å; Y104-L134 HydrophobicContact CE1-CD1 3.89Å; Y104-L134 HydrophobicContact CE1-CD2 4.4Å; Y104-L134 HydrophobicContact CE1-CG 4.02Å; Y104-L134 HydrophobicContact CE2-CD1 4.39Å; Y104-L134 HydrophobicContact CE2-CD2 3.58Å; Y104-L134 HydrophobicContact CE2-CG 3.64Å; Y104-L134 HydrophobicContact CG-CD2 3.97Å; Y104-L134 HydrophobicContact CG-CG 4.48Å; L134-R136 HydrophobicContact CB-CG 4.02Å; L134-R136 VanDerWaalsContact CD1-CZ 3.48Å; L134-R136 PolarHBondContact O-N 3.15Å; L134-D137 HydrophobicContact CB-CB 4.46Å; L134-D137 PolarHBondContact O-N 3.16Å; L134-V138 PolarHBondContact O-N 2.84Å |
| 135 | L | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 177.6 | -177.9 | 63.3 | 0 | 0 | 0 | 112 | L71 V81 V83 D137 V138 F139 I149 V162 L165 | L71-L135 HydrophobicContact CD1-CD1 3.95Å; L71-L135 HydrophobicContact CD2-CD1 4.17Å; V81-L135 HydrophobicContact CB-CB 4.17Å; V81-L135 HydrophobicContact CG1-CB 3.75Å; V81-L135 HydrophobicContact CG1-CD2 3.78Å; V81-L135 HydrophobicContact CG1-CG 4.42Å; V81-L135 PolarHBondContact O-N 2.76Å; V83-L135 HydrophobicContact CG2-CB 4.11Å; V83-L135 HydrophobicContact CG2-CD1 4.09Å; L135-D137 VanDerWaalsContact C-N 3.3Å; L135-D137 PolarHBondContact O-N 2.81Å; L135-V138 WeakPolarHBondContact O-CB 3.48Å; L135-V138 PolarHBondContact O-N 2.92Å; L135-F139 HydrophobicContact CD1-CD1 4.1Å; L135-F139 HydrophobicContact CD1-CE1 3.46Å; L135-F139 VanDerWaalsContact CD1-CE1 3.46Å; L135-F139 HydrophobicContact CD1-CZ 3.72Å; L135-F139 HydrophobicContact CD2-CE1 4.35Å; L135-F139 HydrophobicContact CD2-CE2 4.08Å; L135-F139 HydrophobicContact CD2-CZ 3.72Å; L135-F139 HydrophobicContact CG-CD1 4.33Å; L135-F139 HydrophobicContact CG-CD2 4.47Å; L135-F139 HydrophobicContact CG-CE1 3.81Å; L135-F139 HydrophobicContact CG-CE2 3.96Å; L135-F139 HydrophobicContact CG-CZ 3.61Å; L135-F139 WeakPolarHBondContact O-CG 3.31Å; L135-F139 PolarHBondContact O-N 3.49Å; L135-I149 HydrophobicContact CD1-CD1 4.42Å; L135-I149 HydrophobicContact CD2-CD1 4.29Å; L135-V162 HydrophobicContact CD2-CB 4.49Å; L135-V162 HydrophobicContact CD2-CG1 4.03Å; L135-V162 HydrophobicContact CD2-CG2 4.06Å; L135-L165 HydrophobicContact CB-CD1 4.24Å; L135-L165 HydrophobicContact CD2-CD1 4.06Å; L135-L165 HydrophobicContact CG-CD1 4.38Å |
| 136 | R | 98.7 | Very high | 94.8 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.6 | 77.6 | -172.5 | -178.7 | -160 | -2.3 | 112.2 | L134 V138 F139 D140 L165 Y169 | L134-R136 HydrophobicContact CB-CG 4.02Å; L134-R136 VanDerWaalsContact CD1-CZ 3.48Å; L134-R136 PolarHBondContact O-N 3.15Å; R136-V138 VanDerWaalsContact C-N 3.32Å; R136-V138 PolarHBondContact O-N 3.01Å; R136-F139 PolarHBondContact O-N 3.19Å; R136-F139 VanDerWaalsContact O-N 3.15Å; R136-D140 PolarHBondContact O-N 3.26Å; R136-L165 HydrophobicContact CB-CD2 4.08Å; R136-Y169 HydrophobicContact CB-CE2 4.38Å; R136-Y169 PolarHBondContact O-OH 3.27Å |
| 137 | D | 98.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.8 | -34.1 | -178.7 | -55.6 | -12.6 | 0 | 0 | 0 | 110.1 | L134 L135 A141 | L134-D137 HydrophobicContact CB-CB 4.46Å; L134-D137 PolarHBondContact O-N 3.16Å; L135-D137 VanDerWaalsContact C-N 3.3Å; L135-D137 PolarHBondContact O-N 2.81Å; D137-A141 WeakPolarHBondContact O-CB 3.25Å; D137-A141 PolarHBondContact O-N 2.78Å |
| 138 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | M55 F58 L71 V83 P133 L134 L135 R136 A141 F142 I147 | M55-V138 HydrophobicContact SD-CG2 3.76Å; F58-V138 HydrophobicContact CD2-CG1 4.22Å; F58-V138 HydrophobicContact CD2-CG2 3.91Å; F58-V138 HydrophobicContact CE2-CG1 4.43Å; F58-V138 HydrophobicContact CE2-CG2 3.78Å; L71-V138 HydrophobicContact CD2-CG1 4.02Å; V83-V138 HydrophobicContact CG2-CG2 4.17Å; P133-V138 HydrophobicContact CB-CG2 4.25Å; P133-V138 HydrophobicContact CG-CG2 4.5Å; L134-V138 PolarHBondContact O-N 2.84Å; L135-V138 WeakPolarHBondContact O-CB 3.48Å; L135-V138 PolarHBondContact O-N 2.92Å; R136-V138 VanDerWaalsContact C-N 3.32Å; R136-V138 PolarHBondContact O-N 3.01Å; V138-A141 PolarHBondContact O-N 3.03Å; V138-F142 HydrophobicContact CG1-CD2 3.95Å; V138-F142 HydrophobicContact CG1-CE2 4.5Å; V138-F142 VanDerWaalsContact O-CD2 3.31Å; V138-F142 WeakPolarHBondContact O-CD2 3.37Å; V138-F142 PolarHBondContact O-N 3.3Å; V138-I147 HydrophobicContact CG1-CD1 3.99Å |
| 139 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 178.2 | -67 | -7.1 | 0 | 0 | 0 | 112.7 | L135 R136 F142 I147 I149 L165 V166 Y169 | L135-F139 HydrophobicContact CD1-CD1 4.1Å; L135-F139 HydrophobicContact CD1-CE1 3.46Å; L135-F139 VanDerWaalsContact CD1-CE1 3.46Å; L135-F139 HydrophobicContact CD1-CZ 3.72Å; L135-F139 HydrophobicContact CD2-CE1 4.35Å; L135-F139 HydrophobicContact CD2-CE2 4.08Å; L135-F139 HydrophobicContact CD2-CZ 3.72Å; L135-F139 HydrophobicContact CG-CD1 4.33Å; L135-F139 HydrophobicContact CG-CD2 4.47Å; L135-F139 HydrophobicContact CG-CE1 3.81Å; L135-F139 HydrophobicContact CG-CE2 3.96Å; L135-F139 HydrophobicContact CG-CZ 3.61Å; L135-F139 WeakPolarHBondContact O-CG 3.31Å; L135-F139 PolarHBondContact O-N 3.49Å; R136-F139 PolarHBondContact O-N 3.19Å; R136-F139 VanDerWaalsContact O-N 3.15Å; F139-F142 CarbonylContact O-C 3.44Å; F139-I147 HydrophobicContact CD1-CD1 3.89Å; F139-I147 HydrophobicContact CE1-CD1 3.83Å; F139-I149 HydrophobicContact CE1-CD1 4.23Å; F139-I149 HydrophobicContact CZ-CD1 3.85Å; F139-L165 HydrophobicContact CD2-CB 4.3Å; F139-L165 HydrophobicContact CE2-CB 3.85Å; F139-V166 HydrophobicContact CE2-CG2 4.16Å; F139-V166 HydrophobicContact CZ-CG2 4.08Å; F139-Y169 HydrophobicContact CB-CD1 3.55Å; F139-Y169 HydrophobicContact CB-CD2 4.32Å; F139-Y169 HydrophobicContact CB-CE1 3.66Å; F139-Y169 HydrophobicContact CB-CE2 4.41Å; F139-Y169 HydrophobicContact CB-CG 3.89Å; F139-Y169 HydrophobicContact CD2-CD1 4.42Å; F139-Y169 AromaticContact CD2-CD2 3.84Å; F139-Y169 HydrophobicContact CD2-CD2 3.84Å; F139-Y169 HydrophobicContact CD2-CE2 4.32Å; F139-Y169 AromaticContact CD2-CG 3.88Å; F139-Y169 HydrophobicContact CD2-CG 3.88Å; F139-Y169 HydrophobicContact CG-CD1 4.48Å; F139-Y169 HydrophobicContact CG-CG 4.36Å |
| 140 | D | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -44 | 175 | -72.3 | -36.7 | 0 | 0 | 0 | 111.3 | R136 Y169 | R136-D140 PolarHBondContact O-N 3.26Å; D140-Y169 WeakPolarHBondContact OD1-CE1 3.25Å; D140-Y169 VanDerWaalsContact OD1-CZ 3.28Å; D140-Y169 PolarHBondContact OD1-OH 3.26Å; D140-Y169 PolarHBondContact OD2-OH 3.37Å |
| 141 | A | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 41% | 0.405 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.1 | -32.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M55 D137 V138 P143 | M55-A141 HydrophobicContact CE-CB 3.42Å; M55-A141 VanDerWaalsContact CE-CB 3.42Å; D137-A141 WeakPolarHBondContact O-CB 3.25Å; D137-A141 PolarHBondContact O-N 2.78Å; V138-A141 PolarHBondContact O-N 3.03Å; A141-P143 VanDerWaalsContact C-CD 3.46Å; A141-P143 WeakPolarHBondContact O-CD 3.31Å |
| 142 | F | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | trans | -128.8 | 66.5 | -173.5 | -46.1 | -65.2 | 0 | 0 | 0 | 111.5 | M55 F58 K59 V62 L69 V138 F139 N144 R171 | M55-F142 HydrophobicContact CE-CE2 3.73Å; M55-F142 HydrophobicContact CE-CZ 4.23Å; F58-F142 HydrophobicContact CB-CD2 4.19Å; F58-F142 HydrophobicContact CB-CE2 3.41Å; F58-F142 VanDerWaalsContact CB-CE2 3.41Å; F58-F142 HydrophobicContact CB-CZ 3.81Å; F58-F142 HydrophobicContact CG-CE2 4.39Å; K59-F142 HydrophobicContact CB-CE1 4.39Å; K59-F142 HydrophobicContact CB-CZ 4.02Å; V62-F142 HydrophobicContact CB-CD1 4.03Å; V62-F142 HydrophobicContact CB-CE1 4.05Å; V62-F142 HydrophobicContact CG1-CD1 4.02Å; V62-F142 HydrophobicContact CG1-CE1 4.33Å; V62-F142 HydrophobicContact CG2-CD1 3.69Å; V62-F142 HydrophobicContact CG2-CE1 4Å; V62-F142 HydrophobicContact CG2-CG 4.16Å; L69-F142 HydrophobicContact CD1-CD2 4.25Å; V138-F142 HydrophobicContact CG1-CD2 3.95Å; V138-F142 HydrophobicContact CG1-CE2 4.5Å; V138-F142 VanDerWaalsContact O-CD2 3.31Å; V138-F142 WeakPolarHBondContact O-CD2 3.37Å; V138-F142 PolarHBondContact O-N 3.3Å; F139-F142 CarbonylContact O-C 3.44Å; F142-N144 VanDerWaalsContact C-N 3.3Å; F142-N144 PolarHBondContact O-N 3.37Å; F142-R171 PolarHBondContact O-NH1 2.97Å | ||
| 143 | P | 97.7 | Very high | 97.6 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30 | -172.8 | 25.9 | -35.1 | 0 | 0 | 0 | 113.2 | A141 | A141-P143 VanDerWaalsContact C-CD 3.46Å; A141-P143 WeakPolarHBondContact O-CD 3.31Å |
| 144 | N | 97.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 36.9 Ų | 36.9 | 72% | 0.722 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -2 | -173.6 | -60.7 | -45.5 | 0 | 0 | 0 | 114 | F142 P146 | F142-N144 VanDerWaalsContact C-N 3.3Å; F142-N144 PolarHBondContact O-N 3.37Å; N144-P146 WeakPolarHBondContact O-CD 3.38Å |
| 145 | T | 98.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -89.2 | 123.5 | -176.9 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | V62 L69 R171 | V62-T145 HydrophobicContact CG2-CG2 4.09Å; L69-T145 HydrophobicContact CD1-CG2 4.26Å; L69-T145 HydrophobicContact CG-CG2 4Å; T145-R171 PolarHBondContact O-NH2 2.94Å |
| 146 | P | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -52.4 | 140.8 | 168.9 | -26.9 | 32.5 | 0 | 0 | 0 | 112.8 | F36 D67 M68 L69 N144 L174 | F36-P146 HydrophobicContact CB-CG 3.93Å; F36-P146 HydrophobicContact CD1-CB 4.23Å; F36-P146 HydrophobicContact CD1-CG 4.19Å; F36-P146 HydrophobicContact CD2-CB 3.8Å; F36-P146 HydrophobicContact CD2-CG 3.81Å; F36-P146 HydrophobicContact CE1-CB 4.27Å; F36-P146 HydrophobicContact CE2-CB 3.85Å; F36-P146 HydrophobicContact CE2-CG 4.38Å; F36-P146 HydrophobicContact CG-CB 4Å; F36-P146 HydrophobicContact CG-CG 3.7Å; F36-P146 HydrophobicContact CZ-CB 4.09Å; D67-P146 WeakPolarHBondContact O-CD 2.63Å; D67-P146 VanDerWaalsContact O-CG 3.3Å; D67-P146 WeakPolarHBondContact O-CG 3.34Å; M68-P146 WeakPolarHBondContact CA-O 3.38Å; M68-P146 HydrophobicContact CB-CB 4.11Å; M68-P146 HydrophobicContact CG-CB 3.99Å; M68-P146 WeakPolarHBondContact CG-O 3.36Å; L69-P146 PolarHBondContact N-O 3.41Å; N144-P146 WeakPolarHBondContact O-CD 3.38Å; P146-L174 CarbonylContact C-O 3.36Å; P146-L174 VanDerWaalsContact CA-O 3.26Å; P146-L174 WeakPolarHBondContact CA-O 3.46Å; P146-L174 HydrophobicContact CG-CD2 4.07Å | ||
| 147 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.8 | 179.3 | -60.4 | 178.5 | 0 | 0 | 0 | 111.1 | L69 L71 V138 F139 I149 R171 L174 T175 V176 | L69-I147 HydrophobicContact CB-CG1 4.33Å; L69-I147 CarbonylContact O-C 3.56Å; L69-I147 VanDerWaalsContact O-CA 3.31Å; L69-I147 WeakPolarHBondContact O-CA 3.05Å; L71-I147 HydrophobicContact CD1-CG2 4.33Å; L71-I147 HydrophobicContact CD2-CD1 4.4Å; L71-I147 HydrophobicContact CD2-CG2 3.59Å; L71-I147 HydrophobicContact CG-CG2 3.67Å; V138-I147 HydrophobicContact CG1-CD1 3.99Å; F139-I147 HydrophobicContact CD1-CD1 3.89Å; F139-I147 HydrophobicContact CE1-CD1 3.83Å; I147-I149 HydrophobicContact CB-CG1 4.49Å; I147-I149 HydrophobicContact CG2-CD1 4.35Å; I147-I149 HydrophobicContact CG2-CG1 3.61Å; I147-R171 VanDerWaalsContact CD1-NH2 3.32Å; I147-R171 VanDerWaalsContact CG1-NH2 3.32Å; I147-L174 PolarHBondContact N-O 2.98Å; I147-T175 CarbonylContact O-C 3.6Å; I147-T175 VanDerWaalsContact O-CA 3.31Å; I147-T175 WeakPolarHBondContact O-CA 3.46Å; I147-V176 PolarHBondContact O-N 3.31Å |
| 148 | N | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117 | 165.4 | -175.4 | 12.7 | 0 | 0 | 0 | 109.4 | M68 L69 E70 L71 G178 E227 | M68-N148 HydrophobicContact CE-CB 3.82Å; M68-N148 HydrophobicContact SD-CB 3.97Å; L69-N148 PolarHBondContact O-N 3.23Å; E70-N148 WeakPolarHBondContact CA-O 3.2Å; E70-N148 HydrophobicContact CB-CB 4.22Å; E70-N148 HydrophobicContact CG-CB 4.17Å; L71-N148 PolarHBondContact N-O 3.32Å; N148-G178 VanDerWaalsContact OD1-CA 3.31Å; N148-G178 WeakPolarHBondContact OD1-CA 3.45Å; N148-G178 PolarHBondContact OD1-N 3.25Å; N148-E227 PolarHBondContact ND2-OE2 2.78Å |
| 149 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111 | -174.6 | -57.6 | 180 | 0 | 0 | 0 | 109.9 | L71 C73 L135 F139 I147 I151 V162 V166 T175 V176 G178 | L71-I149 HydrophobicContact CD1-CB 4.37Å; L71-I149 HydrophobicContact CD1-CG1 4.05Å; L71-I149 HydrophobicContact CD1-CG2 4.1Å; C73-I149 HydrophobicContact CB-CG2 4.24Å; L135-I149 HydrophobicContact CD1-CD1 4.42Å; L135-I149 HydrophobicContact CD2-CD1 4.29Å; F139-I149 HydrophobicContact CE1-CD1 4.23Å; F139-I149 HydrophobicContact CZ-CD1 3.85Å; I147-I149 HydrophobicContact CB-CG1 4.49Å; I147-I149 HydrophobicContact CG2-CD1 4.35Å; I147-I149 HydrophobicContact CG2-CG1 3.61Å; I149-I151 HydrophobicContact CG2-CD1 4.17Å; I149-V162 HydrophobicContact CD1-CG1 3.98Å; I149-V162 HydrophobicContact CG2-CG1 4.19Å; I149-V166 HydrophobicContact CD1-CG2 4.4Å; I149-T175 HydrophobicContact CD1-CG2 3.66Å; I149-T175 HydrophobicContact CG1-CG2 4.11Å; I149-V176 PolarHBondContact N-O 2.81Å; I149-G178 WeakPolarHBondContact O-CA 3.32Å; I149-G178 PolarHBondContact O-N 3.21Å |
| 150 | D | 97.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.5 | 173.2 | -166.6 | 6 | 0 | 0 | 0 | 112.9 | L71 C73 K152 G178 N179 | L71-D150 PolarHBondContact O-N 2.93Å; C73-D150 PolarHBondContact N-O 2.79Å; D150-K152 PolarHBondContact O-N 2.96Å; D150-K152 WeakPolarHBondContact OD2-CE 3.29Å; D150-K152 IonicContact OD2-NZ 2.65Å; D150-K152 PolarHBondContact OD2-NZ 3.14Å; D150-G178 VanDerWaalsContact CA-O 3.29Å; D150-G178 WeakPolarHBondContact CA-O 3.47Å; D150-N179 PolarHBondContact OD1-ND2 2.99Å |
| 151 | I | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 94.2 | 173.8 | -59.5 | -56.7 | 0 | 0 | 0 | 110.2 | C73 I149 V153 L158 I159 V162 W177 G178 N179 I184 | C73-I151 HydrophobicContact CB-CD1 4.26Å; I149-I151 HydrophobicContact CG2-CD1 4.17Å; I151-V153 VanDerWaalsContact C-N 3.27Å; I151-V153 VanDerWaalsContact CG2-O 3.27Å; I151-V153 WeakPolarHBondContact CG2-O 3.33Å; I151-V153 PolarHBondContact O-N 3.47Å; I151-L158 HydrophobicContact CD1-CD2 4.41Å; I151-L158 HydrophobicContact CD1-CG 4.22Å; I151-L158 HydrophobicContact CG2-CD2 3.99Å; I151-L158 HydrophobicContact CG2-CG 4.44Å; I151-I159 HydrophobicContact CG1-CG1 4.48Å; I151-I159 HydrophobicContact CG2-CG1 3.93Å; I151-V162 HydrophobicContact CD1-CB 4.46Å; I151-V162 HydrophobicContact CD1-CG2 3.96Å; I151-W177 HydrophobicContact CD1-CZ3 3.92Å; I151-W177 HydrophobicContact CG1-CE3 4.08Å; I151-W177 HydrophobicContact CG1-CZ3 3.87Å; I151-G178 PolarHBondContact N-O 2.95Å; I151-N179 PolarHBondContact O-ND2 3.38Å; I151-I184 HydrophobicContact CB-CG2 4.12Å; I151-I184 HydrophobicContact CG2-CG2 4.05Å |
| 152 | K | 91.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | trans | -68.1 | -22.4 | -171.9 | -69.5 | -59.7 | -170.2 | -157.4 | 0 | 115.4 | D72 H74 H85 D150 | D72-K152 HydrophobicContact CB-CG 4.08Å; D72-K152 WeakPolarHBondContact OD1-CE 3.3Å; D72-K152 IonicContact OD1-NZ 2.72Å; D72-K152 PolarHBondContact OD1-NZ 3.11Å; H74-K152 WeakPolarHBondContact CE1-CB 3.2Å; H74-K152 WeakPolarHBondContact NE2-CB 3.4Å; H85-K152 WeakPolarHBondContact CD2-CE 3.45Å; H85-K152 PolarHBondContact CD2-NZ 3.29Å; H85-K152 PolarHBondContact NE2-NZ 2.92Å; D150-K152 PolarHBondContact O-N 2.96Å; D150-K152 WeakPolarHBondContact OD2-CE 3.29Å; D150-K152 IonicContact OD2-NZ 2.65Å; D150-K152 PolarHBondContact OD2-NZ 3.14Å | ||
| 153 | V | 92.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -122.8 | 140.9 | -176.3 | -66 | 0 | 0 | 0 | 0 | 111.2 | I151 N155 L158 | I151-V153 VanDerWaalsContact C-N 3.27Å; I151-V153 VanDerWaalsContact CG2-O 3.27Å; I151-V153 WeakPolarHBondContact CG2-O 3.33Å; I151-V153 PolarHBondContact O-N 3.47Å; V153-N155 HydrophobicContact CG2-CB 3.9Å; V153-N155 PolarHBondContact O-N 3.48Å; V153-L158 HydrophobicContact CG2-CD2 3.53Å |
| 154 | N | 95.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 40 Ų | 40 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | trans | -74.9 | 79.4 | 174.2 | 179.3 | 21.8 | 0 | 0 | 0 | 109.6 | H183 I184 K187 | N154-H183 PolarHBondContact ND2-NE2 3.15Å; N154-I184 HydrophobicContact CB-CD1 4.04Å; N154-I184 HydrophobicContact CB-CG1 4.14Å; N154-K187 WeakPolarHBondContact OD1-CD 3.38Å; N154-K187 WeakPolarHBondContact OD1-CE 3.45Å; N154-K187 PolarHBondContact OD1-NZ 3.27Å | ||
| 155 | N | 96.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 35 Ų | 35 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | trans | -132.3 | 114.8 | -175.6 | -178.6 | -28.4 | 0 | 0 | 0 | 109.6 | V153 T157 L158 I159 | V153-N155 HydrophobicContact CG2-CB 3.9Å; V153-N155 PolarHBondContact O-N 3.48Å; N155-T157 VanDerWaalsContact C-N 3.33Å; N155-T157 PolarHBondContact O-N 3Å; N155-T157 WeakPolarHBondContact OD1-CA 3.27Å; N155-T157 VanDerWaalsContact OD1-CB 3.3Å; N155-T157 WeakPolarHBondContact OD1-CB 3.24Å; N155-T157 PolarHBondContact OD1-N 2.83Å; N155-L158 HydrophobicContact CB-CB 3.95Å; N155-L158 PolarHBondContact O-N 3Å; N155-L158 PolarHBondContact OD1-N 3.43Å; N155-L158 VanDerWaalsContact OD1-N 3.11Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 2.89Å; N155-I159 VanDerWaalsContact O-N 3.14Å | ||
| 156 | D | 98 | Very high | 97.5 | Very high | 92 Ų | 92 | 34.1 Ų | 34.1 | 49% | 0.492 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.1 | -33.1 | -177 | -66.1 | -27.3 | 0 | 0 | 0 | 112.1 | I159 K160 K187 | D156-I159 PolarHBondContact O-N 2.82Å; D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 3.14Å; D156-K187 VanDerWaalsContact CG-NZ 3.3Å; D156-K187 VanDerWaalsContact OD1-CD 3.23Å; D156-K187 WeakPolarHBondContact OD1-CD 3.24Å; D156-K187 VanDerWaalsContact OD1-CE 3.24Å; D156-K187 WeakPolarHBondContact OD1-CE 3.46Å; D156-K187 IonicContact OD1-NZ 2.68Å; D156-K187 PolarHBondContact OD1-NZ 3.05Å; D156-K187 IonicContact OD2-NZ 3.53Å; D156-K187 PolarHBondContact OD2-NZ 3.2Å; D156-K187 VanDerWaalsContact OD2-NZ 3.16Å |
| 157 | T | 98.3 | Very high | 97.5 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 173.9 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | L75 N155 K160 K161 | L75-T157 HydrophobicContact CD2-CG2 3.77Å; N155-T157 VanDerWaalsContact C-N 3.33Å; N155-T157 PolarHBondContact O-N 3Å; N155-T157 WeakPolarHBondContact OD1-CA 3.27Å; N155-T157 VanDerWaalsContact OD1-CB 3.3Å; N155-T157 WeakPolarHBondContact OD1-CB 3.24Å; N155-T157 PolarHBondContact OD1-N 2.83Å; T157-K160 PolarHBondContact O-N 2.95Å; T157-K161 HydrophobicContact CG2-CG 4.21Å; T157-K161 WeakPolarHBondContact O-CB 3.41Å; T157-K161 WeakPolarHBondContact O-CG 3.38Å; T157-K161 PolarHBondContact O-N 3.31Å |
| 158 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.8 | 174.6 | 58.9 | 0 | 0 | 0 | 111.4 | C73 L75 V81 I151 V153 N155 K160 K161 V162 | C73-L158 HydrophobicContact CB-CD1 4.33Å; L75-L158 HydrophobicContact CB-CB 4.27Å; L75-L158 HydrophobicContact CB-CD1 4.17Å; L75-L158 HydrophobicContact CD1-CD1 4.25Å; V81-L158 HydrophobicContact CG1-CD1 4Å; V81-L158 HydrophobicContact CG2-CD1 4.22Å; I151-L158 HydrophobicContact CD1-CD2 4.41Å; I151-L158 HydrophobicContact CD1-CG 4.22Å; I151-L158 HydrophobicContact CG2-CD2 3.99Å; I151-L158 HydrophobicContact CG2-CG 4.44Å; V153-L158 HydrophobicContact CG2-CD2 3.53Å; N155-L158 HydrophobicContact CB-CB 3.95Å; N155-L158 PolarHBondContact O-N 3Å; N155-L158 PolarHBondContact OD1-N 3.43Å; N155-L158 VanDerWaalsContact OD1-N 3.11Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.09Å; L158-K161 PolarHBondContact O-N 3.43Å; L158-V162 HydrophobicContact CD1-CG2 3.9Å; L158-V162 HydrophobicContact CG-CG2 4.5Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.38Å |
| 159 | I | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.7 | -66.4 | 169.3 | 0 | 0 | 0 | 110.4 | I151 N155 D156 V162 S163 I184 K187 C188 E191 | I151-I159 HydrophobicContact CG1-CG1 4.48Å; I151-I159 HydrophobicContact CG2-CG1 3.93Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 2.89Å; N155-I159 VanDerWaalsContact O-N 3.14Å; D156-I159 PolarHBondContact O-N 2.82Å; I159-V162 PolarHBondContact O-N 3.09Å; I159-S163 WeakPolarHBondContact O-CB 3.25Å; I159-S163 PolarHBondContact O-N 2.65Å; I159-I184 HydrophobicContact CD1-CG2 4.38Å; I159-K187 HydrophobicContact CD1-CB 3.66Å; I159-K187 HydrophobicContact CD1-CD 4.33Å; I159-C188 HydrophobicContact CG2-CB 4.46Å; I159-E191 HydrophobicContact CG2-CB 3.72Å; I159-E191 HydrophobicContact CG2-CG 3.98Å |
| 160 | K | 98.7 | Very high | 97.4 | Very high | 102 Ų | 102 | 54 Ų | 54 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 177.3 | 179.1 | 173.5 | 176.1 | -176.2 | 0 | 112.2 | D156 T157 L158 V162 S163 E164 | D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 3.14Å; T157-K160 PolarHBondContact O-N 2.95Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.09Å; K160-V162 VanDerWaalsContact C-N 3.33Å; K160-V162 PolarHBondContact O-N 2.86Å; K160-S163 WeakPolarHBondContact O-CB 3.47Å; K160-S163 PolarHBondContact O-N 2.68Å; K160-S163 VanDerWaalsContact O-N 3.16Å; K160-E164 WeakPolarHBondContact CE-OE1 3.01Å; K160-E164 HydrophobicContact CG-CG 4.42Å; K160-E164 IonicContact NZ-OE1 3.98Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.12Å |
| 161 | K | 98.7 | Very high | 97.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.265 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | -179.9 | -67.8 | -73 | -174.3 | 176.3 | 0 | 112.3 | L75 E79 V81 T157 L158 E164 L165 | L75-K161 HydrophobicContact CD1-CG 4.36Å; E79-K161 WeakPolarHBondContact OE2-CE 3.33Å; E79-K161 IonicContact OE2-NZ 2.77Å; E79-K161 PolarHBondContact OE2-NZ 3.49Å; V81-K161 HydrophobicContact CG2-CB 3.55Å; T157-K161 HydrophobicContact CG2-CG 4.21Å; T157-K161 WeakPolarHBondContact O-CB 3.41Å; T157-K161 WeakPolarHBondContact O-CG 3.38Å; T157-K161 PolarHBondContact O-N 3.31Å; L158-K161 PolarHBondContact O-N 3.43Å; K161-E164 PolarHBondContact O-N 2.89Å; K161-L165 WeakPolarHBondContact O-CG 2.99Å; K161-L165 PolarHBondContact O-N 3.38Å |
| 162 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | C73 V81 L135 I149 I151 L158 I159 K160 E164 L165 V166 W177 | C73-V162 HydrophobicContact CB-CG2 4.44Å; V81-V162 HydrophobicContact CG1-CG2 3.72Å; V81-V162 HydrophobicContact CG2-CG2 4.27Å; L135-V162 HydrophobicContact CD2-CB 4.49Å; L135-V162 HydrophobicContact CD2-CG1 4.03Å; L135-V162 HydrophobicContact CD2-CG2 4.06Å; I149-V162 HydrophobicContact CD1-CG1 3.98Å; I149-V162 HydrophobicContact CG2-CG1 4.19Å; I151-V162 HydrophobicContact CD1-CB 4.46Å; I151-V162 HydrophobicContact CD1-CG2 3.96Å; L158-V162 HydrophobicContact CD1-CG2 3.9Å; L158-V162 HydrophobicContact CG-CG2 4.5Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.38Å; I159-V162 PolarHBondContact O-N 3.09Å; K160-V162 VanDerWaalsContact C-N 3.33Å; K160-V162 PolarHBondContact O-N 2.86Å; V162-E164 PolarHBondContact O-N 3.29Å; V162-L165 PolarHBondContact O-N 3.1Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.5Å; V162-V166 PolarHBondContact O-N 2.99Å; V162-W177 HydrophobicContact CB-CH2 3.83Å; V162-W177 HydrophobicContact CB-CZ3 4.06Å; V162-W177 HydrophobicContact CG1-CH2 3.47Å; V162-W177 VanDerWaalsContact CG1-CH2 3.47Å; V162-W177 HydrophobicContact CG1-CZ3 3.48Å; V162-W177 VanDerWaalsContact CG1-CZ3 3.48Å |
| 163 | S | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 56 Ų | 56 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | I159 K160 L165 V166 V167 N192 | I159-S163 WeakPolarHBondContact O-CB 3.25Å; I159-S163 PolarHBondContact O-N 2.65Å; K160-S163 WeakPolarHBondContact O-CB 3.47Å; K160-S163 PolarHBondContact O-N 2.68Å; K160-S163 VanDerWaalsContact O-N 3.16Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.06Å; S163-V166 PolarHBondContact O-N 3.38Å; S163-V166 VanDerWaalsContact O-N 3.15Å; S163-V167 WeakPolarHBondContact O-CG2 3.38Å; S163-V167 PolarHBondContact O-N 2.8Å; S163-N192 WeakPolarHBondContact OG-CB 3.46Å |
| 164 | E | 98.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 176 | -73.8 | 173.6 | 172.1 | 0 | 0 | 111.9 | K160 K161 V162 K168 | K160-E164 WeakPolarHBondContact CE-OE1 3.01Å; K160-E164 HydrophobicContact CG-CG 4.42Å; K160-E164 IonicContact NZ-OE1 3.98Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.12Å; K161-E164 PolarHBondContact O-N 2.89Å; V162-E164 PolarHBondContact O-N 3.29Å; E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 2.9Å |
| 165 | L | 98.8 | Very high | 98 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 174.3 | -72.1 | 171.5 | 0 | 0 | 0 | 111.7 | V81 L135 R136 F139 K161 V162 S163 V167 K168 Y169 | V81-L165 HydrophobicContact CB-CD1 4.08Å; V81-L165 HydrophobicContact CG2-CD1 4.06Å; L135-L165 HydrophobicContact CB-CD1 4.24Å; L135-L165 HydrophobicContact CD2-CD1 4.06Å; L135-L165 HydrophobicContact CG-CD1 4.38Å; R136-L165 HydrophobicContact CB-CD2 4.08Å; F139-L165 HydrophobicContact CD2-CB 4.3Å; F139-L165 HydrophobicContact CE2-CB 3.85Å; K161-L165 WeakPolarHBondContact O-CG 2.99Å; K161-L165 PolarHBondContact O-N 3.38Å; V162-L165 PolarHBondContact O-N 3.1Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.06Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 3.44Å; L165-K168 PolarHBondContact O-N 3.09Å; L165-Y169 HydrophobicContact CD2-CE2 4.21Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.33Å; L165-Y169 PolarHBondContact O-N 2.93Å |
| 166 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 179 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | F139 I149 V162 S163 D170 R171 E172 T175 I195 | F139-V166 HydrophobicContact CE2-CG2 4.16Å; F139-V166 HydrophobicContact CZ-CG2 4.08Å; I149-V166 HydrophobicContact CD1-CG2 4.4Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.5Å; V162-V166 PolarHBondContact O-N 2.99Å; S163-V166 PolarHBondContact O-N 3.38Å; S163-V166 VanDerWaalsContact O-N 3.15Å; V166-D170 PolarHBondContact O-N 3.41Å; V166-R171 HydrophobicContact CB-CG 4.41Å; V166-R171 HydrophobicContact CG1-CG 4.06Å; V166-R171 PolarHBondContact O-N 3.05Å; V166-R171 VanDerWaalsContact O-N 3.1Å; V166-E172 HydrophobicContact CG1-CB 4.38Å; V166-E172 HydrophobicContact CG1-CG 3.82Å; V166-T175 HydrophobicContact CG2-CG2 3.9Å; V166-I195 HydrophobicContact CB-CD1 4.01Å; V166-I195 HydrophobicContact CG1-CD1 3.58Å; V166-I195 HydrophobicContact CG1-CG1 4.02Å; V166-I195 HydrophobicContact CG2-CD1 4.24Å |
| 167 | V | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 45 Ų | 45 | 47% | 0.473 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.7 | -45.6 | 175.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | S163 L165 Y169 D170 | S163-V167 WeakPolarHBondContact O-CG2 3.38Å; S163-V167 PolarHBondContact O-N 2.8Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 3.44Å; V167-Y169 PolarHBondContact O-N 3.46Å; V167-D170 PolarHBondContact O-N 3.35Å; V167-D170 VanDerWaalsContact O-N 3.08Å |
| 168 | K | 98.6 | Very high | 97.5 | Very high | 156 Ų | 156 | 42.5 Ų | 42.5 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -57.6 | -35.2 | 179.4 | 179.5 | -175.9 | 175.8 | -166.7 | 0 | 112.4 | E164 L165 | E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 2.9Å; L165-K168 PolarHBondContact O-N 3.09Å |
| 169 | Y | 98.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 43 Ų | 43 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.9 | -178.6 | -79.1 | -98.6 | 0 | 0 | 0 | 113.8 | R136 F139 D140 L165 V167 R171 | R136-Y169 HydrophobicContact CB-CE2 4.38Å; R136-Y169 PolarHBondContact O-OH 3.27Å; F139-Y169 HydrophobicContact CB-CD1 3.55Å; F139-Y169 HydrophobicContact CB-CD2 4.32Å; F139-Y169 HydrophobicContact CB-CE1 3.66Å; F139-Y169 HydrophobicContact CB-CE2 4.41Å; F139-Y169 HydrophobicContact CB-CG 3.89Å; F139-Y169 HydrophobicContact CD2-CD1 4.42Å; F139-Y169 AromaticContact CD2-CD2 3.84Å; F139-Y169 HydrophobicContact CD2-CD2 3.84Å; F139-Y169 HydrophobicContact CD2-CE2 4.32Å; F139-Y169 AromaticContact CD2-CG 3.88Å; F139-Y169 HydrophobicContact CD2-CG 3.88Å; F139-Y169 HydrophobicContact CG-CD1 4.48Å; F139-Y169 HydrophobicContact CG-CG 4.36Å; D140-Y169 WeakPolarHBondContact OD1-CE1 3.25Å; D140-Y169 VanDerWaalsContact OD1-CZ 3.28Å; D140-Y169 PolarHBondContact OD1-OH 3.26Å; D140-Y169 PolarHBondContact OD2-OH 3.37Å; L165-Y169 HydrophobicContact CD2-CE2 4.21Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.33Å; L165-Y169 PolarHBondContact O-N 2.93Å; V167-Y169 PolarHBondContact O-N 3.46Å; Y169-R171 VanDerWaalsContact C-N 3.27Å; Y169-R171 PolarHBondContact O-N 2.87Å |
| 170 | D | 97.8 | Very high | 96.8 | Very high | 144 Ų | 144 | 46.4 Ų | 46.4 | 77% | 0.77 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 43.6 | 179.6 | -167.3 | 32.1 | 0 | 0 | 0 | 113.6 | V166 V167 | V166-D170 PolarHBondContact O-N 3.41Å; V167-D170 PolarHBondContact O-N 3.35Å; V167-D170 VanDerWaalsContact O-N 3.08Å |
| 171 | R | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | trans | -121.3 | 21.5 | -171.2 | 67.8 | 177.5 | -62.2 | 139.2 | 15.3 | 114.8 | F142 T145 I147 V166 Y169 D173 L174 T175 | F142-R171 PolarHBondContact O-NH1 2.97Å; T145-R171 PolarHBondContact O-NH2 2.94Å; I147-R171 VanDerWaalsContact CD1-NH2 3.32Å; I147-R171 VanDerWaalsContact CG1-NH2 3.32Å; V166-R171 HydrophobicContact CB-CG 4.41Å; V166-R171 HydrophobicContact CG1-CG 4.06Å; V166-R171 PolarHBondContact O-N 3.05Å; V166-R171 VanDerWaalsContact O-N 3.1Å; Y169-R171 VanDerWaalsContact C-N 3.27Å; Y169-R171 PolarHBondContact O-N 2.87Å; R171-D173 PolarHBondContact O-N 3Å; R171-L174 HydrophobicContact CB-CB 4.41Å; R171-L174 CarbonylContact O-C 3.57Å; R171-L174 WeakPolarHBondContact O-CA 3.25Å; R171-L174 PolarHBondContact O-N 3.02Å; R171-T175 PolarHBondContact NE-OG1 3.09Å; R171-T175 WeakPolarHBondContact O-CB 3.32Å; R171-T175 PolarHBondContact O-N 2.97Å; R171-T175 VanDerWaalsContact O-N 3.12Å; R171-T175 PolarHBondContact O-OG1 2.91Å | ||
| 172 | E | 97.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -56 | -37.1 | 176.7 | -66.7 | 178.7 | 119.9 | 0 | 0 | 112.2 | V166 L174 N192 H194 I195 | V166-E172 HydrophobicContact CG1-CB 4.38Å; V166-E172 HydrophobicContact CG1-CG 3.82Å; E172-L174 VanDerWaalsContact C-N 3.27Å; E172-L174 PolarHBondContact O-N 2.85Å; E172-N192 PolarHBondContact OE1-ND2 3.23Å; E172-N192 PolarHBondContact OE1-OD1 3.24Å; E172-H194 HydrophobicContact CB-CB 4.43Å; E172-H194 IonicContact OE1-CG 3.94Å; E172-H194 IonicContact OE1-ND1 3.65Å; E172-I195 HydrophobicContact CB-CG1 4.35Å; E172-I195 HydrophobicContact CG-CG1 4.28Å |
| 173 | D | 95.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -77 | -9.1 | 178 | -81.8 | -24.8 | 0 | 0 | 0 | 113.6 | R35 F36 R171 | R35-D173 HydrophobicContact CB-CB 4.43Å; R35-D173 WeakPolarHBondContact CB-O 3.32Å; R35-D173 WeakPolarHBondContact CD-OD1 3.22Å; R35-D173 HydrophobicContact CG-CB 4.26Å; R35-D173 IonicContact CZ-OD1 2.91Å; R35-D173 IonicContact CZ-OD2 3.03Å; R35-D173 IonicContact NE-OD1 2.98Å; R35-D173 PolarHBondContact NE-OD1 3.32Å; R35-D173 IonicContact NE-OD2 3.66Å; R35-D173 IonicContact NH1-OD1 3.5Å; R35-D173 IonicContact NH1-OD2 2.73Å; R35-D173 PolarHBondContact NH1-OD2 2.88Å; R35-D173 IonicContact NH2-OD1 2.96Å; R35-D173 PolarHBondContact NH2-OD1 2.99Å; R35-D173 IonicContact NH2-OD2 3.34Å; R35-D173 PolarHBondContact NH2-OD2 2.86Å; F36-D173 WeakPolarHBondContact CD1-O 3.33Å; R171-D173 PolarHBondContact O-N 3Å |
| 174 | L | 97 | Very high | 96.1 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -119.7 | 14.3 | -179.5 | -63.3 | 177.3 | 0 | 0 | 0 | 112.5 | F36 P146 I147 R171 E172 | F36-L174 HydrophobicContact CD1-CD2 4.33Å; P146-L174 CarbonylContact C-O 3.36Å; P146-L174 VanDerWaalsContact CA-O 3.26Å; P146-L174 WeakPolarHBondContact CA-O 3.46Å; P146-L174 HydrophobicContact CG-CD2 4.07Å; I147-L174 PolarHBondContact N-O 2.98Å; R171-L174 HydrophobicContact CB-CB 4.41Å; R171-L174 CarbonylContact O-C 3.57Å; R171-L174 WeakPolarHBondContact O-CA 3.25Å; R171-L174 PolarHBondContact O-N 3.02Å; E172-L174 VanDerWaalsContact C-N 3.27Å; E172-L174 PolarHBondContact O-N 2.85Å |
| 175 | T | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.1 | 179.4 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | I147 I149 V166 R171 I195 P196 | I147-T175 CarbonylContact O-C 3.6Å; I147-T175 VanDerWaalsContact O-CA 3.31Å; I147-T175 WeakPolarHBondContact O-CA 3.46Å; I149-T175 HydrophobicContact CD1-CG2 3.66Å; I149-T175 HydrophobicContact CG1-CG2 4.11Å; V166-T175 HydrophobicContact CG2-CG2 3.9Å; R171-T175 PolarHBondContact NE-OG1 3.09Å; R171-T175 WeakPolarHBondContact O-CB 3.32Å; R171-T175 PolarHBondContact O-N 2.97Å; R171-T175 VanDerWaalsContact O-N 3.12Å; R171-T175 PolarHBondContact O-OG1 2.91Å; T175-I195 HydrophobicContact CG2-CG2 4.01Å; T175-I195 WeakPolarHBondContact O-CG2 3.26Å; T175-P196 WeakPolarHBondContact O-CD 3.25Å; T175-P196 VanDerWaalsContact O-CG 3.31Å; T175-P196 WeakPolarHBondContact O-CG 3.39Å |
| 176 | V | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.8 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | F36 I147 I149 G178 P196 F225 | F36-V176 HydrophobicContact CE1-CG2 4.36Å; F36-V176 HydrophobicContact CZ-CG2 3.61Å; I147-V176 PolarHBondContact O-N 3.31Å; I149-V176 PolarHBondContact N-O 2.81Å; V176-G178 PolarHBondContact O-N 2.81Å; V176-P196 HydrophobicContact CG2-CG 4.19Å; V176-F225 HydrophobicContact CB-CD2 4.46Å; V176-F225 HydrophobicContact CB-CE2 4.35Å; V176-F225 HydrophobicContact CG1-CD2 3.54Å; V176-F225 HydrophobicContact CG1-CE2 3.86Å; V176-F225 HydrophobicContact CG1-CG 4.19Å; V176-F225 HydrophobicContact CG2-CD2 4.01Å; V176-F225 HydrophobicContact CG2-CE1 4.37Å; V176-F225 HydrophobicContact CG2-CE2 3.5Å; V176-F225 HydrophobicContact CG2-CZ 3.71Å |
| 177 | W | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 108.2 | 167.7 | -72.7 | 126.5 | 0 | 0 | 0 | 110.4 | I151 V162 C188 I195 P196 V197 | I151-W177 HydrophobicContact CD1-CZ3 3.92Å; I151-W177 HydrophobicContact CG1-CE3 4.08Å; I151-W177 HydrophobicContact CG1-CZ3 3.87Å; V162-W177 HydrophobicContact CB-CH2 3.83Å; V162-W177 HydrophobicContact CB-CZ3 4.06Å; V162-W177 HydrophobicContact CG1-CH2 3.47Å; V162-W177 VanDerWaalsContact CG1-CH2 3.47Å; V162-W177 HydrophobicContact CG1-CZ3 3.48Å; V162-W177 VanDerWaalsContact CG1-CZ3 3.48Å; W177-C188 HydrophobicContact CB-CB 4.2Å; W177-C188 HydrophobicContact CD2-CB 3.64Å; W177-C188 HydrophobicContact CE3-CB 4.17Å; W177-C188 HydrophobicContact CG-CB 3.65Å; W177-C188 HydrophobicContact CZ2-CB 4.5Å; W177-C188 PolarHBondContact NE1-O 2.9Å; W177-I195 HydrophobicContact CD2-CG2 4.13Å; W177-I195 HydrophobicContact CG-CB 4.46Å; W177-I195 HydrophobicContact CG-CG2 3.78Å; W177-I195 HydrophobicContact CZ2-CD1 3.61Å; W177-P196 PolarHBondContact N-O 3.31Å; W177-V197 HydrophobicContact CB-CG1 4.08Å; W177-V197 HydrophobicContact CG-CG1 4.48Å |
| 178 | G | 86.9 | Confident | 95.7 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N148 I149 D150 I151 V176 | N148-G178 VanDerWaalsContact OD1-CA 3.31Å; N148-G178 WeakPolarHBondContact OD1-CA 3.45Å; N148-G178 PolarHBondContact OD1-N 3.25Å; I149-G178 WeakPolarHBondContact O-CA 3.32Å; I149-G178 PolarHBondContact O-N 3.21Å; D150-G178 VanDerWaalsContact CA-O 3.29Å; D150-G178 WeakPolarHBondContact CA-O 3.47Å; I151-G178 PolarHBondContact N-O 2.95Å; V176-G178 PolarHBondContact O-N 2.81Å |
| 179 | N | 91.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | trans | -169.4 | 138.7 | 159.1 | -150.1 | -96.7 | 0 | 0 | 0 | 113.9 | D150 I151 R181 I184 V185 L198 | D150-N179 PolarHBondContact OD1-ND2 2.99Å; I151-N179 PolarHBondContact O-ND2 3.38Å; N179-R181 WeakPolarHBondContact OD1-CA 3.41Å; N179-R181 VanDerWaalsContact OD1-CB 3.24Å; N179-R181 WeakPolarHBondContact OD1-CB 3.19Å; N179-R181 PolarHBondContact OD1-N 3Å; N179-R181 PolarHBondContact OD1-O 2.85Å; N179-I184 HydrophobicContact CB-CB 4.39Å; N179-I184 HydrophobicContact CB-CG2 4.2Å; N179-V185 HydrophobicContact CB-CG2 3.75Å; N179-V185 WeakPolarHBondContact O-CG2 3.47Å; N179-L198 VanDerWaalsContact O-CD1 3.25Å; N179-L198 WeakPolarHBondContact O-CD1 3.25Å | ||
| 180 | S | 89.9 | Confident | 95.6 | Very high | 72 Ų | 72 | 54 Ų | 54 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -81.2 | -18.7 | 174.8 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | S200 F201 | S180-S200 WeakPolarHBondContact O-CB 3.21Å; S180-F201 PolarHBondContact O-N 2.76Å |
| 181 | R | 94.6 | Very high | 95.6 | Very high | 140 Ų | 140 | 51.2 Ų | 51.2 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | trans | -92.2 | 115.3 | -177.3 | -57.3 | -179.4 | 179.3 | -178.8 | 1.8 | 111 | N179 H183 I184 V185 | N179-R181 WeakPolarHBondContact OD1-CA 3.41Å; N179-R181 VanDerWaalsContact OD1-CB 3.24Å; N179-R181 WeakPolarHBondContact OD1-CB 3.19Å; N179-R181 PolarHBondContact OD1-N 3Å; N179-R181 PolarHBondContact OD1-O 2.85Å; R181-H183 PolarHBondContact O-N 3.16Å; R181-H183 VanDerWaalsContact O-N 3.09Å; R181-I184 HydrophobicContact CB-CB 4.47Å; R181-I184 HydrophobicContact CB-CD1 4.19Å; R181-I184 HydrophobicContact CB-CG1 4.15Å; R181-I184 PolarHBondContact O-N 3.29Å; R181-V185 PolarHBondContact O-N 3.46Å; R181-V185 VanDerWaalsContact O-N 3.09Å | ||
| 182 | N | 94.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -32.1 | -175.5 | -170.8 | 43 | 0 | 0 | 0 | 114.4 | K186 S200 P202 | N182-K186 WeakPolarHBondContact O-CB 3.11Å; N182-K186 VanDerWaalsContact O-CG 3.28Å; N182-K186 WeakPolarHBondContact O-CG 3.39Å; N182-K186 PolarHBondContact O-N 3.04Å; N182-S200 VanDerWaalsContact CB-OG 3.32Å; N182-S200 WeakPolarHBondContact CB-OG 3.31Å; N182-S200 PolarHBondContact OD1-OG 2.98Å; N182-P202 HydrophobicContact CB-CG 4.12Å |
| 183 | H | 95.7 | Very high | 95.6 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 40% | 0.398 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.9 | -34.3 | 178.2 | 69.8 | -92.7 | 0 | 0 | 0 | 112.5 | N154 R181 K187 | N154-H183 PolarHBondContact ND2-NE2 3.15Å; R181-H183 PolarHBondContact O-N 3.16Å; R181-H183 VanDerWaalsContact O-N 3.09Å; H183-K187 WeakPolarHBondContact O-CG 3.19Å; H183-K187 PolarHBondContact O-N 3.18Å |
| 184 | I | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -47.7 | 174.4 | -58 | -176.5 | 0 | 0 | 0 | 109.1 | I151 N154 I159 N179 R181 K186 K187 C188 | I151-I184 HydrophobicContact CB-CG2 4.12Å; I151-I184 HydrophobicContact CG2-CG2 4.05Å; N154-I184 HydrophobicContact CB-CD1 4.04Å; N154-I184 HydrophobicContact CB-CG1 4.14Å; I159-I184 HydrophobicContact CD1-CG2 4.38Å; N179-I184 HydrophobicContact CB-CB 4.39Å; N179-I184 HydrophobicContact CB-CG2 4.2Å; R181-I184 HydrophobicContact CB-CB 4.47Å; R181-I184 HydrophobicContact CB-CD1 4.19Å; R181-I184 HydrophobicContact CB-CG1 4.15Å; R181-I184 PolarHBondContact O-N 3.29Å; I184-K186 PolarHBondContact O-N 3.02Å; I184-K187 WeakPolarHBondContact O-CA 3.45Å; I184-K187 WeakPolarHBondContact O-CB 3.33Å; I184-K187 PolarHBondContact O-N 3.06Å; I184-C188 PolarHBondContact O-N 2.93Å; I184-C188 PolarHBondContact O-SG 2.56Å; I184-C188 VanDerWaalsContact O-SG 3.38Å |
| 185 | V | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.7 | -41.4 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | N179 R181 Y189 V197 | N179-V185 HydrophobicContact CB-CG2 3.75Å; N179-V185 WeakPolarHBondContact O-CG2 3.47Å; R181-V185 PolarHBondContact O-N 3.46Å; R181-V185 VanDerWaalsContact O-N 3.09Å; V185-Y189 WeakPolarHBondContact O-CB 3.47Å; V185-Y189 PolarHBondContact O-N 2.99Å; V185-V197 HydrophobicContact CG1-CB 3.99Å; V185-V197 HydrophobicContact CG1-CG1 4.1Å; V185-V197 HydrophobicContact CG1-CG2 4.42Å |
| 186 | K | 96.3 | Very high | 95.5 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.8 | -77.7 | 176.8 | 179.3 | -174.2 | 0 | 112.7 | N182 I184 K190 | N182-K186 WeakPolarHBondContact O-CB 3.11Å; N182-K186 VanDerWaalsContact O-CG 3.28Å; N182-K186 WeakPolarHBondContact O-CG 3.39Å; N182-K186 PolarHBondContact O-N 3.04Å; I184-K186 PolarHBondContact O-N 3.02Å; K186-K190 VanDerWaalsContact O-CB 3.27Å; K186-K190 WeakPolarHBondContact O-CB 3.38Å; K186-K190 PolarHBondContact O-N 2.89Å |
| 187 | K | 97.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.3 | -48.2 | 176.4 | -73 | 172.2 | 159.2 | -149.2 | 0 | 111 | N154 D156 I159 H183 I184 Y189 K190 E191 | N154-K187 WeakPolarHBondContact OD1-CD 3.38Å; N154-K187 WeakPolarHBondContact OD1-CE 3.45Å; N154-K187 PolarHBondContact OD1-NZ 3.27Å; D156-K187 VanDerWaalsContact CG-NZ 3.3Å; D156-K187 VanDerWaalsContact OD1-CD 3.23Å; D156-K187 WeakPolarHBondContact OD1-CD 3.24Å; D156-K187 VanDerWaalsContact OD1-CE 3.24Å; D156-K187 WeakPolarHBondContact OD1-CE 3.46Å; D156-K187 IonicContact OD1-NZ 2.68Å; D156-K187 PolarHBondContact OD1-NZ 3.05Å; D156-K187 IonicContact OD2-NZ 3.53Å; D156-K187 PolarHBondContact OD2-NZ 3.2Å; D156-K187 VanDerWaalsContact OD2-NZ 3.16Å; I159-K187 HydrophobicContact CD1-CB 3.66Å; I159-K187 HydrophobicContact CD1-CD 4.33Å; H183-K187 WeakPolarHBondContact O-CG 3.19Å; H183-K187 PolarHBondContact O-N 3.18Å; I184-K187 WeakPolarHBondContact O-CA 3.45Å; I184-K187 WeakPolarHBondContact O-CB 3.33Å; I184-K187 PolarHBondContact O-N 3.06Å; K187-Y189 PolarHBondContact O-N 3.33Å; K187-K190 PolarHBondContact O-N 2.7Å; K187-K190 VanDerWaalsContact O-N 3.14Å; K187-E191 PolarHBondContact O-N 3.48Å |
| 188 | C | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 112 | I159 W177 I184 K190 E191 N192 | I159-C188 HydrophobicContact CG2-CB 4.46Å; W177-C188 HydrophobicContact CB-CB 4.2Å; W177-C188 HydrophobicContact CD2-CB 3.64Å; W177-C188 HydrophobicContact CE3-CB 4.17Å; W177-C188 HydrophobicContact CG-CB 3.65Å; W177-C188 HydrophobicContact CZ2-CB 4.5Å; W177-C188 PolarHBondContact NE1-O 2.9Å; I184-C188 PolarHBondContact O-N 2.93Å; I184-C188 PolarHBondContact O-SG 2.56Å; I184-C188 VanDerWaalsContact O-SG 3.38Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3.26Å; C188-E191 PolarHBondContact O-N 3.03Å; C188-N192 PolarHBondContact O-N 2.86Å |
| 189 | Y | 96.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 38% | 0.384 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 178 | -171.8 | -106.7 | 0 | 0 | 0 | 113.1 | V185 K187 N192 P193 V197 | V185-Y189 WeakPolarHBondContact O-CB 3.47Å; V185-Y189 PolarHBondContact O-N 2.99Å; K187-Y189 PolarHBondContact O-N 3.33Å; Y189-N192 CarbonylContact O-C 3.54Å; Y189-P193 HydrophobicContact CD2-CB 4.35Å; Y189-P193 HydrophobicContact CE1-CB 4.31Å; Y189-P193 HydrophobicContact CE2-CB 3.86Å; Y189-P193 WeakPolarHBondContact O-CA 3.47Å; Y189-V197 HydrophobicContact CD2-CG1 3.91Å; Y189-V197 HydrophobicContact CD2-CG2 4.46Å; Y189-V197 HydrophobicContact CG-CG1 4.4Å |
| 190 | K | 97.7 | Very high | 96 | Very high | 185 Ų | 185 | 54.3 Ų | 54.3 | 80% | 0.804 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.2 | -39.4 | 175.9 | -176.9 | -174.4 | 174.8 | -168.9 | 0 | 111.2 | K186 K187 C188 | K186-K190 VanDerWaalsContact O-CB 3.27Å; K186-K190 WeakPolarHBondContact O-CB 3.38Å; K186-K190 PolarHBondContact O-N 2.89Å; K187-K190 PolarHBondContact O-N 2.7Å; K187-K190 VanDerWaalsContact O-N 3.14Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3.26Å |
| 191 | E | 98.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 178.4 | -175.5 | 64 | -160.1 | 0 | 0 | 111.2 | I159 K187 C188 | I159-E191 HydrophobicContact CG2-CB 3.72Å; I159-E191 HydrophobicContact CG2-CG 3.98Å; K187-E191 PolarHBondContact O-N 3.48Å; C188-E191 PolarHBondContact O-N 3.03Å |
| 192 | N | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | trans | -144.2 | 104 | 176.1 | -170.1 | -21.3 | 0 | 0 | 0 | 111.4 | S163 E172 C188 Y189 H194 I195 | S163-N192 WeakPolarHBondContact OG-CB 3.46Å; E172-N192 PolarHBondContact OE1-ND2 3.23Å; E172-N192 PolarHBondContact OE1-OD1 3.24Å; C188-N192 PolarHBondContact O-N 2.86Å; Y189-N192 CarbonylContact O-C 3.54Å; N192-H194 VanDerWaalsContact C-N 3.33Å; N192-H194 WeakPolarHBondContact OD1-CB 3.23Å; N192-H194 PolarHBondContact OD1-N 2.73Å; N192-I195 HydrophobicContact CB-CD1 3.96Å; N192-I195 HydrophobicContact CB-CG1 4.31Å | ||
| 193 | P | 96.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.3 | -179.3 | 32.6 | -35.8 | 0 | 0 | 0 | 114.2 | Y189 | Y189-P193 HydrophobicContact CD2-CB 4.35Å; Y189-P193 HydrophobicContact CE1-CB 4.31Å; Y189-P193 HydrophobicContact CE2-CB 3.86Å; Y189-P193 WeakPolarHBondContact O-CA 3.47Å |
| 194 | H | 95.9 | Very high | 96.6 | Very high | 136 Ų | 136 | 50.8 Ų | 50.8 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -27.4 | 175.3 | -58.2 | 108.8 | 0 | 0 | 0 | 111.8 | E172 N192 P196 | E172-H194 HydrophobicContact CB-CB 4.43Å; E172-H194 IonicContact OE1-CG 3.94Å; E172-H194 IonicContact OE1-ND1 3.65Å; N192-H194 VanDerWaalsContact C-N 3.33Å; N192-H194 WeakPolarHBondContact OD1-CB 3.23Å; N192-H194 PolarHBondContact OD1-N 2.73Å; H194-P196 WeakPolarHBondContact O-CD 3.48Å |
| 195 | I | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.5 | 121.6 | 173.3 | -57.2 | 170.8 | 0 | 0 | 0 | 108.7 | V166 E172 T175 W177 N192 | V166-I195 HydrophobicContact CB-CD1 4.01Å; V166-I195 HydrophobicContact CG1-CD1 3.58Å; V166-I195 HydrophobicContact CG1-CG1 4.02Å; V166-I195 HydrophobicContact CG2-CD1 4.24Å; E172-I195 HydrophobicContact CB-CG1 4.35Å; E172-I195 HydrophobicContact CG-CG1 4.28Å; T175-I195 HydrophobicContact CG2-CG2 4.01Å; T175-I195 WeakPolarHBondContact O-CG2 3.26Å; W177-I195 HydrophobicContact CD2-CG2 4.13Å; W177-I195 HydrophobicContact CG-CB 4.46Å; W177-I195 HydrophobicContact CG-CG2 3.78Å; W177-I195 HydrophobicContact CZ2-CD1 3.61Å; N192-I195 HydrophobicContact CB-CD1 3.96Å; N192-I195 HydrophobicContact CB-CG1 4.31Å |
| 196 | P | 95.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 59 Ų | 59 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | trans | -64.5 | 153.7 | 178.6 | 29.1 | -39.2 | 0 | 0 | 0 | 112.8 | T175 V176 W177 H194 Q224 F225 | T175-P196 WeakPolarHBondContact O-CD 3.25Å; T175-P196 VanDerWaalsContact O-CG 3.31Å; T175-P196 WeakPolarHBondContact O-CG 3.39Å; V176-P196 HydrophobicContact CG2-CG 4.19Å; W177-P196 PolarHBondContact N-O 3.31Å; H194-P196 WeakPolarHBondContact O-CD 3.48Å; P196-Q224 HydrophobicContact CB-CB 4.15Å; P196-Q224 VanDerWaalsContact CB-OE1 3.24Å; P196-F225 HydrophobicContact CB-CD2 4.26Å; P196-F225 HydrophobicContact CB-CE2 3.7Å; P196-F225 HydrophobicContact CG-CE2 3.7Å | ||
| 197 | V | 95.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 150.8 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | W177 V185 Y189 E223 Q224 | W177-V197 HydrophobicContact CB-CG1 4.08Å; W177-V197 HydrophobicContact CG-CG1 4.48Å; V185-V197 HydrophobicContact CG1-CB 3.99Å; V185-V197 HydrophobicContact CG1-CG1 4.1Å; V185-V197 HydrophobicContact CG1-CG2 4.42Å; Y189-V197 HydrophobicContact CD2-CG1 3.91Å; Y189-V197 HydrophobicContact CD2-CG2 4.46Å; Y189-V197 HydrophobicContact CG-CG1 4.4Å; V197-E223 HydrophobicContact CG2-CG 4.36Å; V197-E223 WeakPolarHBondContact O-CA 3.19Å; V197-Q224 PolarHBondContact O-N 3.44Å; V197-Q224 VanDerWaalsContact O-N 3.11Å |
| 198 | L | 95.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 166 | 170.9 | 68 | 75 | 0 | 0 | 0 | 113.8 | N179 S200 F225 E227 | N179-L198 VanDerWaalsContact O-CD1 3.25Å; N179-L198 WeakPolarHBondContact O-CD1 3.25Å; L198-S200 PolarHBondContact O-N 2.85Å; L198-F225 CarbonylContact C-O 3.41Å; L198-F225 WeakPolarHBondContact CA-O 3.37Å; L198-F225 HydrophobicContact CB-CB 3.99Å; L198-F225 WeakPolarHBondContact CB-O 3.08Å; L198-E227 HydrophobicContact CD2-CB 4.11Å; L198-E227 WeakPolarHBondContact CD2-OE2 3.44Å |
| 199 | F | 97.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | trans | -67.9 | 110.6 | 172.5 | -77 | -97.3 | 0 | 0 | 0 | 111.7 | R203 V204 L207 L221 E223 F225 L226 I272 | F199-R203 HydrophobicContact CD1-CB 3.9Å; F199-V204 HydrophobicContact CB-CG2 3.7Å; F199-L207 HydrophobicContact CD1-CD2 4.3Å; F199-L207 HydrophobicContact CE1-CB 4.27Å; F199-L207 HydrophobicContact CE1-CD1 4.35Å; F199-L207 HydrophobicContact CE1-CD2 4.04Å; F199-L207 HydrophobicContact CE1-CG 4.46Å; F199-L207 HydrophobicContact CZ-CD2 4.28Å; F199-L221 HydrophobicContact CE1-CD2 4.26Å; F199-L221 HydrophobicContact CZ-CB 4.42Å; F199-L221 HydrophobicContact CZ-CD1 4.15Å; F199-L221 HydrophobicContact CZ-CD2 4.2Å; F199-L221 HydrophobicContact CZ-CG 4.49Å; F199-E223 HydrophobicContact CB-CG 4.5Å; F199-E223 HydrophobicContact CD1-CB 4.38Å; F199-E223 HydrophobicContact CD1-CG 4.06Å; F199-E223 HydrophobicContact CD2-CB 3.49Å; F199-E223 VanDerWaalsContact CD2-CB 3.49Å; F199-E223 HydrophobicContact CD2-CG 3.92Å; F199-E223 HydrophobicContact CE1-CB 4.26Å; F199-E223 HydrophobicContact CE1-CG 4.22Å; F199-E223 HydrophobicContact CE2-CB 3.35Å; F199-E223 HydrophobicContact CE2-CG 4.09Å; F199-E223 HydrophobicContact CG-CB 4.01Å; F199-E223 HydrophobicContact CG-CG 3.89Å; F199-E223 HydrophobicContact CZ-CB 3.74Å; F199-E223 HydrophobicContact CZ-CG 4.21Å; F199-F225 WeakPolarHBondContact CD2-O 3.25Å; F199-F225 PolarHBondContact N-O 2.82Å; F199-L226 HydrophobicContact CB-CD1 3.88Å; F199-L226 HydrophobicContact CD2-CB 3.94Å; F199-L226 HydrophobicContact CD2-CD1 4Å; F199-L226 HydrophobicContact CE2-CB 4.36Å; F199-L226 HydrophobicContact CG-CD1 4Å; F199-I272 HydrophobicContact CE2-CG2 4.06Å | ||
| 200 | S | 96.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | trans | -62 | 159.4 | 165 | 66.7 | 0 | 0 | 0 | 0 | 112 | S180 N182 L198 R203 V204 | S180-S200 WeakPolarHBondContact O-CB 3.21Å; N182-S200 VanDerWaalsContact CB-OG 3.32Å; N182-S200 WeakPolarHBondContact CB-OG 3.31Å; N182-S200 PolarHBondContact OD1-OG 2.98Å; L198-S200 PolarHBondContact O-N 2.85Å; S200-R203 CarbonylContact O-C 3.34Å; S200-R203 WeakPolarHBondContact O-CA 3.42Å; S200-R203 VanDerWaalsContact O-CB 3.31Å; S200-R203 WeakPolarHBondContact O-CB 3.32Å; S200-R203 PolarHBondContact O-N 3.34Å; S200-R203 VanDerWaalsContact OG-CG 3.25Å; S200-R203 WeakPolarHBondContact OG-CG 3.47Å; S200-V204 PolarHBondContact O-N 2.86Å | ||
| 201 | F | 95.3 | Very high | 96.9 | Very high | 131 Ų | 131 | 41.6 Ų | 41.6 | 58% | 0.575 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -54.4 | -46.8 | -176.2 | 179.7 | -100 | 0 | 0 | 0 | 114.3 | S180 R203 V204 L205 | S180-F201 PolarHBondContact O-N 2.76Å; F201-R203 PolarHBondContact O-N 2.87Å; F201-V204 WeakPolarHBondContact O-CB 3.17Å; F201-V204 PolarHBondContact O-N 3.24Å; F201-V204 VanDerWaalsContact O-N 3.14Å; F201-L205 HydrophobicContact CD1-CD1 4.29Å; F201-L205 HydrophobicContact CE1-CD1 3.67Å; F201-L205 HydrophobicContact CE1-CG 4.21Å; F201-L205 HydrophobicContact CZ-CD1 4.04Å; F201-L205 HydrophobicContact CZ-CD2 4.27Å; F201-L205 HydrophobicContact CZ-CG 4.24Å; F201-L205 PolarHBondContact O-N 2.93Å; F201-L205 VanDerWaalsContact O-N 3.09Å |
| 202 | P | 96.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 43% | 0.429 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -30.6 | 174.5 | -22.9 | 34.7 | 0 | 0 | 0 | 113.5 | N182 L205 H206 | N182-P202 HydrophobicContact CB-CG 4.12Å; P202-L205 PolarHBondContact O-N 3.46Å; P202-H206 WeakPolarHBondContact O-CB 3.45Å; P202-H206 PolarHBondContact O-N 3.11Å |
| 203 | R | 96.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.2 | -33.2 | 176.8 | -66.2 | -73.2 | -66.5 | 162.2 | 7.6 | 111.4 | F199 S200 F201 H206 L207 E223 | F199-R203 HydrophobicContact CD1-CB 3.9Å; S200-R203 CarbonylContact O-C 3.34Å; S200-R203 WeakPolarHBondContact O-CA 3.42Å; S200-R203 VanDerWaalsContact O-CB 3.31Å; S200-R203 WeakPolarHBondContact O-CB 3.32Å; S200-R203 PolarHBondContact O-N 3.34Å; S200-R203 VanDerWaalsContact OG-CG 3.25Å; S200-R203 WeakPolarHBondContact OG-CG 3.47Å; F201-R203 PolarHBondContact O-N 2.87Å; R203-H206 PolarHBondContact O-N 2.6Å; R203-L207 VanDerWaalsContact O-CB 3.29Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 PolarHBondContact O-N 3.3Å; R203-E223 IonicContact CZ-OE1 2.78Å; R203-E223 IonicContact CZ-OE2 3.81Å; R203-E223 IonicContact NE-OE1 3.79Å; R203-E223 PolarHBondContact NE-OE1 3.46Å; R203-E223 IonicContact NE-OE2 3.91Å; R203-E223 IonicContact NH2-OE1 3.28Å; R203-E223 PolarHBondContact NH2-OE1 3.04Å; R203-E223 IonicContact NH2-OE2 2.83Å; R203-E223 PolarHBondContact NH2-OE2 3.19Å |
| 204 | V | 97.6 | Very high | 97 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 170.2 | 179 | 0 | 0 | 0 | 0 | 110.9 | F199 S200 F201 H206 L207 L208 L226 I228 L258 | F199-V204 HydrophobicContact CB-CG2 3.7Å; S200-V204 PolarHBondContact O-N 2.86Å; F201-V204 WeakPolarHBondContact O-CB 3.17Å; F201-V204 PolarHBondContact O-N 3.24Å; F201-V204 VanDerWaalsContact O-N 3.14Å; V204-H206 VanDerWaalsContact C-N 3.33Å; V204-H206 PolarHBondContact O-N 2.96Å; V204-L207 WeakPolarHBondContact O-CB 3.44Å; V204-L207 PolarHBondContact O-N 3.26Å; V204-L208 WeakPolarHBondContact O-CG 3.38Å; V204-L208 PolarHBondContact O-N 2.86Å; V204-L226 HydrophobicContact CG2-CD1 3.86Å; V204-I228 HydrophobicContact CG1-CG2 4.2Å; V204-I228 HydrophobicContact CG2-CG2 4.11Å; V204-L258 HydrophobicContact CG1-CD2 3.74Å |
| 205 | L | 96.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 40.2 Ų | 40.2 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.6 | -65 | -178.4 | 0 | 0 | 0 | 112.1 | F201 P202 L208 G209 | F201-L205 HydrophobicContact CD1-CD1 4.29Å; F201-L205 HydrophobicContact CE1-CD1 3.67Å; F201-L205 HydrophobicContact CE1-CG 4.21Å; F201-L205 HydrophobicContact CZ-CD1 4.04Å; F201-L205 HydrophobicContact CZ-CD2 4.27Å; F201-L205 HydrophobicContact CZ-CG 4.24Å; F201-L205 PolarHBondContact O-N 2.93Å; F201-L205 VanDerWaalsContact O-N 3.09Å; P202-L205 PolarHBondContact O-N 3.46Å; L205-L208 PolarHBondContact O-N 3.04Å; L205-G209 PolarHBondContact O-N 3.49Å |
| 206 | H | 97.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 39% | 0.389 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.5 | -176.7 | -154.6 | 0 | 0 | 0 | 111.8 | P202 R203 V204 L208 G209 L210 | P202-H206 WeakPolarHBondContact O-CB 3.45Å; P202-H206 PolarHBondContact O-N 3.11Å; R203-H206 PolarHBondContact O-N 2.6Å; V204-H206 VanDerWaalsContact C-N 3.33Å; V204-H206 PolarHBondContact O-N 2.96Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 3.33Å; H206-G209 PolarHBondContact O-N 3.42Å; H206-L210 WeakPolarHBondContact O-CG 3.44Å; H206-L210 PolarHBondContact O-N 3.37Å |
| 207 | L | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 175.1 | 175.7 | 69 | 0 | 0 | 0 | 111.6 | F199 R203 V204 L210 F211 L216 L221 L226 L263 L267 | F199-L207 HydrophobicContact CD1-CD2 4.3Å; F199-L207 HydrophobicContact CE1-CB 4.27Å; F199-L207 HydrophobicContact CE1-CD1 4.35Å; F199-L207 HydrophobicContact CE1-CD2 4.04Å; F199-L207 HydrophobicContact CE1-CG 4.46Å; F199-L207 HydrophobicContact CZ-CD2 4.28Å; R203-L207 VanDerWaalsContact O-CB 3.29Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 PolarHBondContact O-N 3.3Å; V204-L207 WeakPolarHBondContact O-CB 3.44Å; V204-L207 PolarHBondContact O-N 3.26Å; L207-L210 PolarHBondContact O-N 3.14Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 3.46Å; L207-L216 HydrophobicContact CD1-CD1 3.44Å; L207-L216 VanDerWaalsContact CD1-CD1 3.44Å; L207-L216 HydrophobicContact CD1-CD2 4.13Å; L207-L216 HydrophobicContact CD1-CG 4.44Å; L207-L221 HydrophobicContact CD1-CD1 4.28Å; L207-L221 HydrophobicContact CD1-CD2 4.45Å; L207-L226 HydrophobicContact CD2-CD1 4.21Å; L207-L226 HydrophobicContact CD2-CD2 4.17Å; L207-L263 HydrophobicContact CD1-CD1 4.29Å; L207-L263 HydrophobicContact CD2-CD1 4.41Å; L207-L263 HydrophobicContact CG-CD1 4.24Å; L207-L267 HydrophobicContact CD1-CD2 4.17Å; L207-L267 HydrophobicContact CD2-CD1 4.12Å |
| 208 | L | 97.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 175 | -69 | -177.4 | 0 | 0 | 0 | 112.3 | V204 L205 H206 L210 F211 Y212 L258 L263 | V204-L208 WeakPolarHBondContact O-CG 3.38Å; V204-L208 PolarHBondContact O-N 2.86Å; L205-L208 PolarHBondContact O-N 3.04Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 2.89Å; L208-F211 PolarHBondContact O-N 3.41Å; L208-F211 VanDerWaalsContact O-N 3.16Å; L208-Y212 HydrophobicContact CB-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 4.37Å; L208-Y212 VanDerWaalsContact O-CD2 3.29Å; L208-Y212 WeakPolarHBondContact O-CD2 3.39Å; L208-Y212 PolarHBondContact O-N 2.73Å; L208-L258 HydrophobicContact CD1-CD2 3.65Å; L208-L258 HydrophobicContact CD1-CG 4.01Å; L208-L258 HydrophobicContact CD2-CD2 4.12Å; L208-L258 HydrophobicContact CG-CD2 4.15Å; L208-L263 HydrophobicContact CD2-CD2 3.97Å |
| 209 | G | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.9 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L205 H206 F211 T213 | L205-G209 PolarHBondContact O-N 3.49Å; H206-G209 PolarHBondContact O-N 3.42Å; G209-F211 PolarHBondContact O-N 3.27Å; G209-T213 WeakPolarHBondContact O-CB 3.49Å; G209-T213 WeakPolarHBondContact O-CG2 3.39Å; G209-T213 PolarHBondContact O-N 3.49Å; G209-T213 PolarHBondContact O-OG1 2.94Å |
| 210 | L | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.2 | -69 | 176 | 0 | 0 | 0 | 112.3 | H206 L207 L208 T213 G214 L215 L216 M219 | H206-L210 WeakPolarHBondContact O-CG 3.44Å; H206-L210 PolarHBondContact O-N 3.37Å; L207-L210 PolarHBondContact O-N 3.14Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 2.89Å; L210-T213 WeakPolarHBondContact CA-OG1 3.45Å; L210-T213 PolarHBondContact O-OG1 3.4Å; L210-G214 PolarHBondContact O-N 3.47Å; L210-L215 HydrophobicContact CD2-CB 3.71Å; L210-L215 HydrophobicContact CD2-CD1 4.46Å; L210-L215 PolarHBondContact O-N 3.44Å; L210-L216 HydrophobicContact CB-CB 3.93Å; L210-L216 HydrophobicContact CB-CD1 4.32Å; L210-L216 PolarHBondContact O-N 2.96Å; L210-M219 HydrophobicContact CD1-CB 3.94Å; L210-M219 HydrophobicContact CD1-CG 3.87Å; L210-M219 HydrophobicContact CD2-CG 3.74Å; L210-M219 HydrophobicContact CG-CG 4.43Å |
| 211 | F | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -51.5 | 179 | 177.9 | -107.5 | 0 | 0 | 0 | 111.3 | L22 L207 L208 G209 T213 G214 L216 R260 A262 L263 | L22-F211 HydrophobicContact CD1-CD2 4.16Å; L22-F211 HydrophobicContact CD1-CE2 4.12Å; L22-F211 HydrophobicContact CD2-CE2 4.2Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 3.46Å; L208-F211 PolarHBondContact O-N 3.41Å; L208-F211 VanDerWaalsContact O-N 3.16Å; G209-F211 PolarHBondContact O-N 3.27Å; F211-T213 PolarHBondContact O-N 2.98Å; F211-G214 PolarHBondContact O-N 2.85Å; F211-L216 HydrophobicContact CB-CD2 4.09Å; F211-L216 HydrophobicContact CD2-CD2 3.92Å; F211-L216 HydrophobicContact CG-CD2 4.49Å; F211-R260 HydrophobicContact CE1-CB 4.25Å; F211-R260 HydrophobicContact CE1-CG 4.14Å; F211-R260 HydrophobicContact CZ-CB 4.32Å; F211-A262 HydrophobicContact CE2-CB 4.32Å; F211-A262 HydrophobicContact CZ-CB 4.17Å; F211-L263 HydrophobicContact CB-CD1 4.26Å; F211-L263 HydrophobicContact CD2-CB 4.06Å; F211-L263 HydrophobicContact CD2-CD1 3.88Å; F211-L263 HydrophobicContact CE1-CB 4.46Å; F211-L263 HydrophobicContact CE2-CB 3.86Å; F211-L263 HydrophobicContact CE2-CD1 4.5Å; F211-L263 HydrophobicContact CG-CB 4.44Å; F211-L263 HydrophobicContact CG-CD1 4.12Å; F211-L263 HydrophobicContact CZ-CB 4.08Å |
| 212 | Y | 97.6 | Very high | 97.3 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.9 | -24.5 | -176.1 | -79.6 | -67.8 | 0 | 0 | 0 | 114.2 | L208 G214 L257 R260 | L208-Y212 HydrophobicContact CB-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 4.37Å; L208-Y212 VanDerWaalsContact O-CD2 3.29Å; L208-Y212 WeakPolarHBondContact O-CD2 3.39Å; L208-Y212 PolarHBondContact O-N 2.73Å; Y212-G214 VanDerWaalsContact C-N 3.34Å; Y212-L257 HydrophobicContact CD2-CD2 4.43Å; Y212-L257 HydrophobicContact CE1-CD2 4.27Å; Y212-L257 HydrophobicContact CE2-CB 4.19Å; Y212-L257 HydrophobicContact CE2-CD2 3.68Å; Y212-L257 WeakPolarHBondContact OH-CA 3.47Å; Y212-L257 PolarHBondContact OH-O 3.38Å; Y212-R260 PolarHBondContact OH-NE 3.12Å |
| 213 | T | 96.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 47% | 0.466 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -82 | -14.1 | 171.8 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | Y14 G209 L210 F211 L215 | Y14-T213 PolarHBondContact OH-O 3.48Å; G209-T213 WeakPolarHBondContact O-CB 3.49Å; G209-T213 WeakPolarHBondContact O-CG2 3.39Å; G209-T213 PolarHBondContact O-N 3.49Å; G209-T213 PolarHBondContact O-OG1 2.94Å; L210-T213 WeakPolarHBondContact CA-OG1 3.45Å; L210-T213 PolarHBondContact O-OG1 3.4Å; F211-T213 PolarHBondContact O-N 2.98Å; T213-L215 VanDerWaalsContact C-N 3.34Å |
| 214 | G | 97.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 9.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y14 S18 L210 F211 Y212 P217 | Y14-G214 WeakPolarHBondContact OH-CA 3.35Å; Y14-G214 PolarHBondContact OH-O 3.47Å; S18-G214 WeakPolarHBondContact CB-O 3.46Å; S18-G214 WeakPolarHBondContact OG-CA 3.48Å; S18-G214 PolarHBondContact OG-O 3.08Å; L210-G214 PolarHBondContact O-N 3.47Å; F211-G214 PolarHBondContact O-N 2.85Å; Y212-G214 VanDerWaalsContact C-N 3.34Å; G214-P217 WeakPolarHBondContact O-CD 3.31Å |
| 215 | L | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 40% | 0.398 | 24% | 0.238 | S | C | . | . | trans | -86.3 | -18.6 | -179.6 | -67.7 | 174.6 | 0 | 0 | 0 | 113.4 | Y14 L210 T213 P217 F218 | Y14-L215 HydrophobicContact CE2-CD2 4.16Å; Y14-L215 PolarHBondContact OH-N 3.39Å; L210-L215 HydrophobicContact CD2-CB 3.71Å; L210-L215 HydrophobicContact CD2-CD1 4.46Å; L210-L215 PolarHBondContact O-N 3.44Å; T213-L215 VanDerWaalsContact C-N 3.34Å; L215-P217 VanDerWaalsContact C-N 3.33Å; L215-F218 PolarHBondContact O-N 3.07Å | ||
| 216 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -48.8 | -44.4 | -178.7 | 178.5 | 60.2 | 0 | 0 | 0 | 114.4 | L22 L207 L210 F211 F218 M219 L221 L263 | L22-L216 HydrophobicContact CD1-CD2 4.42Å; L207-L216 HydrophobicContact CD1-CD1 3.44Å; L207-L216 VanDerWaalsContact CD1-CD1 3.44Å; L207-L216 HydrophobicContact CD1-CD2 4.13Å; L207-L216 HydrophobicContact CD1-CG 4.44Å; L210-L216 HydrophobicContact CB-CB 3.93Å; L210-L216 HydrophobicContact CB-CD1 4.32Å; L210-L216 PolarHBondContact O-N 2.96Å; F211-L216 HydrophobicContact CB-CD2 4.09Å; F211-L216 HydrophobicContact CD2-CD2 3.92Å; F211-L216 HydrophobicContact CG-CD2 4.49Å; L216-F218 PolarHBondContact O-N 2.97Å; L216-F218 VanDerWaalsContact O-N 3.14Å; L216-M219 PolarHBondContact O-N 2.76Å; L216-L221 HydrophobicContact CD1-CD1 4.12Å; L216-L221 HydrophobicContact CD1-CD2 4.47Å; L216-L263 HydrophobicContact CD2-CD1 3.64Å |
| 217 | P | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -65 | -19 | -177.3 | -20.6 | 34.1 | 0 | 0 | 0 | 114.3 | S18 L21 L22 H29 G214 L215 | S18-P217 WeakPolarHBondContact O-CG 3.18Å; L21-P217 HydrophobicContact CB-CB 3.39Å; L21-P217 HydrophobicContact CB-CG 4.29Å; L22-P217 HydrophobicContact CB-CG 3.85Å; L22-P217 HydrophobicContact CD1-CG 4.03Å; H29-P217 PolarHBondContact CD2-O 3.49Å; H29-P217 PolarHBondContact NE2-O 3.4Å; G214-P217 WeakPolarHBondContact O-CD 3.31Å; L215-P217 VanDerWaalsContact C-N 3.33Å |
| 218 | F | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -93.1 | -17.3 | -179.3 | -54.3 | -83.3 | 0 | 0 | 0 | 112.5 | Y14 T17 L21 L28 L215 L216 | Y14-F218 HydrophobicContact CE2-CE2 4.08Å; T17-F218 HydrophobicContact CG2-CE1 4.14Å; T17-F218 HydrophobicContact CG2-CZ 4.06Å; L21-F218 HydrophobicContact CD1-CD1 3.94Å; L21-F218 HydrophobicContact CD1-CE1 3.34Å; L21-F218 HydrophobicContact CD1-CZ 3.73Å; L28-F218 HydrophobicContact CD1-CD1 4.14Å; L215-F218 PolarHBondContact O-N 3.07Å; L216-F218 PolarHBondContact O-N 2.97Å; L216-F218 VanDerWaalsContact O-N 3.14Å |
| 219 | M | 97.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -94 | 130.2 | -171.7 | -66.5 | -58.1 | -68.2 | 0 | 0 | 112.4 | H29 L210 L216 R270 | H29-M219 PolarHBondContact CE1-O 3.5Å; L210-M219 HydrophobicContact CD1-CB 3.94Å; L210-M219 HydrophobicContact CD1-CG 3.87Å; L210-M219 HydrophobicContact CD2-CG 3.74Å; L210-M219 HydrophobicContact CG-CG 4.43Å; L216-M219 PolarHBondContact O-N 2.76Å; M219-R270 PolarHBondContact O-NH1 3Å; M219-R270 PolarHBondContact O-NH2 2.96Å |
| 220 | P | 96.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | trans | -69 | 141.6 | 170.8 | 29.5 | -33.6 | 0 | 0 | 0 | 110.5 | ||||
| 221 | L | 96.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | trans | -115.8 | 129.6 | 176.6 | -60.7 | 174.1 | 0 | 0 | 0 | 108.4 | K32 F199 L207 L216 L267 R270 I272 | K32-L221 WeakPolarHBondContact CE-O 2.96Å; K32-L221 PolarHBondContact NZ-O 2.98Å; F199-L221 HydrophobicContact CE1-CD2 4.26Å; F199-L221 HydrophobicContact CZ-CB 4.42Å; F199-L221 HydrophobicContact CZ-CD1 4.15Å; F199-L221 HydrophobicContact CZ-CD2 4.2Å; F199-L221 HydrophobicContact CZ-CG 4.49Å; L207-L221 HydrophobicContact CD1-CD1 4.28Å; L207-L221 HydrophobicContact CD1-CD2 4.45Å; L216-L221 HydrophobicContact CD1-CD1 4.12Å; L216-L221 HydrophobicContact CD1-CD2 4.47Å; L221-L267 HydrophobicContact CD1-CD2 3.7Å; L221-R270 VanDerWaalsContact CD1-NH1 3.31Å; L221-I272 HydrophobicContact CB-CD1 3.92Å; L221-I272 HydrophobicContact CD1-CD1 3.65Å; L221-I272 HydrophobicContact CG-CD1 4.45Å | ||
| 222 | K | 93.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | trans | -84.4 | -38.7 | 179.3 | 62.6 | 171.5 | -173.7 | 163.8 | 0 | 110.9 | K32 | K32-K222 PolarHBondContact NZ-O 3.45Å; K32-K222 VanDerWaalsContact NZ-O 3.08Å | ||
| 223 | E | 95.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -61.1 | 149.3 | -176.3 | -62.4 | 81.9 | -177.8 | 0 | 0 | 111.9 | K32 V197 F199 R203 | K32-E223 WeakPolarHBondContact CE-O 3.09Å; V197-E223 HydrophobicContact CG2-CG 4.36Å; V197-E223 WeakPolarHBondContact O-CA 3.19Å; F199-E223 HydrophobicContact CB-CG 4.5Å; F199-E223 HydrophobicContact CD1-CB 4.38Å; F199-E223 HydrophobicContact CD1-CG 4.06Å; F199-E223 HydrophobicContact CD2-CB 3.49Å; F199-E223 VanDerWaalsContact CD2-CB 3.49Å; F199-E223 HydrophobicContact CD2-CG 3.92Å; F199-E223 HydrophobicContact CE1-CB 4.26Å; F199-E223 HydrophobicContact CE1-CG 4.22Å; F199-E223 HydrophobicContact CE2-CB 3.35Å; F199-E223 HydrophobicContact CE2-CG 4.09Å; F199-E223 HydrophobicContact CG-CB 4.01Å; F199-E223 HydrophobicContact CG-CG 3.89Å; F199-E223 HydrophobicContact CZ-CB 3.74Å; F199-E223 HydrophobicContact CZ-CG 4.21Å; R203-E223 IonicContact CZ-OE1 2.78Å; R203-E223 IonicContact CZ-OE2 3.81Å; R203-E223 IonicContact NE-OE1 3.79Å; R203-E223 PolarHBondContact NE-OE1 3.46Å; R203-E223 IonicContact NE-OE2 3.91Å; R203-E223 IonicContact NH2-OE1 3.28Å; R203-E223 PolarHBondContact NH2-OE1 3.04Å; R203-E223 IonicContact NH2-OE2 2.83Å; R203-E223 PolarHBondContact NH2-OE2 3.19Å | ||
| 224 | Q | 95.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -112.9 | -14.6 | 178.5 | -83.6 | 173.6 | -81.3 | 0 | 0 | 113.3 | K32 R33 P196 V197 I272 Q273 | K32-Q224 HydrophobicContact CD-CG 3.64Å; R33-Q224 PolarHBondContact O-NE2 2.97Å; P196-Q224 HydrophobicContact CB-CB 4.15Å; P196-Q224 VanDerWaalsContact CB-OE1 3.24Å; V197-Q224 PolarHBondContact O-N 3.44Å; V197-Q224 VanDerWaalsContact O-N 3.11Å; Q224-I272 CarbonylContact O-C 3.49Å; Q224-I272 WeakPolarHBondContact O-CA 3.37Å; Q224-Q273 PolarHBondContact O-N 2.92Å |
| 225 | F | 97.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.1 | -177.4 | -57.5 | -85.2 | 0 | 0 | 0 | 109.9 | F36 V176 P196 L198 F199 Q273 Y275 | F36-F225 HydrophobicContact CE1-CZ 4.33Å; F36-F225 HydrophobicContact CE2-CE1 4.09Å; F36-F225 HydrophobicContact CE2-CZ 4.09Å; F36-F225 HydrophobicContact CZ-CE1 4.09Å; F36-F225 AromaticContact CZ-CZ 3.64Å; F36-F225 HydrophobicContact CZ-CZ 3.64Å; V176-F225 HydrophobicContact CB-CD2 4.46Å; V176-F225 HydrophobicContact CB-CE2 4.35Å; V176-F225 HydrophobicContact CG1-CD2 3.54Å; V176-F225 HydrophobicContact CG1-CE2 3.86Å; V176-F225 HydrophobicContact CG1-CG 4.19Å; V176-F225 HydrophobicContact CG2-CD2 4.01Å; V176-F225 HydrophobicContact CG2-CE1 4.37Å; V176-F225 HydrophobicContact CG2-CE2 3.5Å; V176-F225 HydrophobicContact CG2-CZ 3.71Å; P196-F225 HydrophobicContact CB-CD2 4.26Å; P196-F225 HydrophobicContact CB-CE2 3.7Å; P196-F225 HydrophobicContact CG-CE2 3.7Å; L198-F225 CarbonylContact C-O 3.41Å; L198-F225 WeakPolarHBondContact CA-O 3.37Å; L198-F225 HydrophobicContact CB-CB 3.99Å; L198-F225 WeakPolarHBondContact CB-O 3.08Å; F199-F225 WeakPolarHBondContact CD2-O 3.25Å; F199-F225 PolarHBondContact N-O 2.82Å; F225-Q273 CarbonylContact C-O 3.42Å; F225-Q273 WeakPolarHBondContact CA-O 3.22Å; F225-Q273 HydrophobicContact CD1-CB 3.78Å; F225-Q273 HydrophobicContact CE1-CB 4.08Å; F225-Q273 HydrophobicContact CE1-CG 4.35Å; F225-Y275 HydrophobicContact CD1-CD2 4.28Å; F225-Y275 AromaticContact CD1-CE2 3.4Å; F225-Y275 HydrophobicContact CD1-CE2 3.4Å; F225-Y275 VanDerWaalsContact CD1-CE2 3.4Å; F225-Y275 AromaticContact CD1-CZ 3.64Å; F225-Y275 AromaticContact CE1-CE2 3.94Å; F225-Y275 HydrophobicContact CE1-CE2 3.94Å; F225-Y275 AromaticContact CE1-CZ 3.87Å; F225-Y275 VanDerWaalsContact CE1-OH 3.23Å; F225-Y275 WeakPolarHBondContact CE1-OH 3.48Å; F225-Y275 HydrophobicContact CG-CE2 4.32Å |
| 226 | L | 97.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 108.1 | 165 | 175.3 | 65.1 | 0 | 0 | 0 | 107.5 | F199 V204 L207 I228 F264 L267 Q273 V274 Y275 | F199-L226 HydrophobicContact CB-CD1 3.88Å; F199-L226 HydrophobicContact CD2-CB 3.94Å; F199-L226 HydrophobicContact CD2-CD1 4Å; F199-L226 HydrophobicContact CE2-CB 4.36Å; F199-L226 HydrophobicContact CG-CD1 4Å; V204-L226 HydrophobicContact CG2-CD1 3.86Å; L207-L226 HydrophobicContact CD2-CD1 4.21Å; L207-L226 HydrophobicContact CD2-CD2 4.17Å; L226-I228 HydrophobicContact CD1-CG2 3.6Å; L226-I228 HydrophobicContact CD2-CD1 4.23Å; L226-I228 HydrophobicContact CG-CD1 4.44Å; L226-I228 HydrophobicContact CG-CG1 4.49Å; L226-I228 HydrophobicContact CG-CG2 4.06Å; L226-F264 HydrophobicContact CD2-CE1 4.46Å; L226-L267 HydrophobicContact CB-CD1 4.3Å; L226-L267 HydrophobicContact CD2-CD1 3.43Å; L226-L267 VanDerWaalsContact CD2-CD1 3.43Å; L226-L267 HydrophobicContact CG-CD1 4.47Å; L226-Q273 PolarHBondContact N-O 3.28Å; L226-V274 HydrophobicContact CB-CG2 4.38Å; L226-V274 HydrophobicContact CD2-CG1 4.25Å; L226-V274 HydrophobicContact CD2-CG2 4.46Å; L226-V274 CarbonylContact O-C 3.1Å; L226-V274 WeakPolarHBondContact O-CA 3.49Å; L226-Y275 PolarHBondContact O-N 2.85Å |
| 227 | E | 96.7 | Very high | 92.5 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.4 | 179.4 | -177.6 | 176.9 | 167.8 | 0 | 0 | 108.9 | N148 L198 Y275 W277 M297 | N148-E227 PolarHBondContact ND2-OE2 2.78Å; L198-E227 HydrophobicContact CD2-CB 4.11Å; L198-E227 WeakPolarHBondContact CD2-OE2 3.44Å; E227-Y275 WeakPolarHBondContact CA-O 3.33Å; E227-W277 HydrophobicContact CG-CG 4.24Å; E227-W277 PolarHBondContact O-NE1 2.93Å; E227-M297 WeakPolarHBondContact OE1-CE 3.25Å |
| 228 | I | 96.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146 | -172.7 | 55.5 | 176.6 | 0 | 0 | 0 | 112.3 | V204 L226 L258 M259 F264 Y275 I276 W277 | V204-I228 HydrophobicContact CG1-CG2 4.2Å; V204-I228 HydrophobicContact CG2-CG2 4.11Å; L226-I228 HydrophobicContact CD1-CG2 3.6Å; L226-I228 HydrophobicContact CD2-CD1 4.23Å; L226-I228 HydrophobicContact CG-CD1 4.44Å; L226-I228 HydrophobicContact CG-CG1 4.49Å; L226-I228 HydrophobicContact CG-CG2 4.06Å; I228-L258 HydrophobicContact CD1-CD2 4.46Å; I228-M259 HydrophobicContact CD1-CE 3.44Å; I228-M259 VanDerWaalsContact CD1-CE 3.44Å; I228-M259 HydrophobicContact CG1-CE 4.17Å; I228-F264 HydrophobicContact CD1-CE1 4.12Å; I228-F264 HydrophobicContact CD1-CZ 4.13Å; I228-Y275 PolarHBondContact N-O 3.43Å; I228-I276 WeakPolarHBondContact O-CA 3.22Å; I228-W277 VanDerWaalsContact O-CD1 3.25Å; I228-W277 PolarHBondContact O-N 3Å; I228-W277 VanDerWaalsContact O-N 3.15Å |
| 229 | P | 95 | Very high | 90.7 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 36% | 0.357 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 148.5 | 173.9 | 31.4 | -34.3 | 0 | 0 | 0 | 110.5 | P231 W277 | P229-P231 WeakPolarHBondContact O-CD 3.18Å; P229-W277 WeakPolarHBondContact CA-O 3.44Å; P229-W277 HydrophobicContact CB-CD2 4.27Å; P229-W277 HydrophobicContact CB-CE3 4.35Å; P229-W277 HydrophobicContact CB-CH2 4.42Å; P229-W277 HydrophobicContact CB-CZ2 4.29Å; P229-W277 HydrophobicContact CB-CZ3 4.43Å; P229-W277 HydrophobicContact CG-CZ2 4.26Å |
| 230 | M | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -72.9 | 114.9 | 167.5 | -171 | -179.3 | -75.6 | 0 | 0 | 109.1 | S232 L233 M259 I276 W277 L279 D284 R287 A288 | M230-S232 VanDerWaalsContact CG-OG 3.3Å; M230-S232 WeakPolarHBondContact CG-OG 3.47Å; M230-S232 PolarHBondContact O-N 2.87Å; M230-S232 VanDerWaalsContact O-N 3.13Å; M230-S232 PolarHBondContact SD-OG 3.28Å; M230-S232 VanDerWaalsContact SD-OG 3.36Å; M230-L233 HydrophobicContact CB-CD1 3.96Å; M230-L233 HydrophobicContact CB-CG 4.06Å; M230-L233 VanDerWaalsContact O-CB 3.23Å; M230-L233 WeakPolarHBondContact O-CB 3.42Å; M230-L233 WeakPolarHBondContact O-CG 3.46Å; M230-L233 PolarHBondContact O-N 3.07Å; M230-M259 HydrophobicContact CG-SD 4.41Å; M230-I276 HydrophobicContact CB-CG2 3.8Å; M230-I276 HydrophobicContact CE-CG2 4.24Å; M230-W277 PolarHBondContact N-O 3.06Å; M230-L279 HydrophobicContact CB-CD2 3.63Å; M230-L279 HydrophobicContact CE-CD1 4.02Å; M230-L279 HydrophobicContact CE-CD2 3.89Å; M230-L279 HydrophobicContact CG-CD2 4.45Å; M230-L279 HydrophobicContact SD-CD2 4.05Å; M230-D284 HydrophobicContact CE-CB 4.4Å; M230-D284 HydrophobicContact SD-CB 4.24Å; M230-R287 HydrophobicContact CE-CB 4.2Å; M230-R287 HydrophobicContact CE-CG 4.06Å; M230-R287 VanDerWaalsContact CG-NH1 3.3Å; M230-R287 PolarHBondContact SD-NH1 2.89Å; M230-A288 HydrophobicContact CE-CB 4.26Å | ||
| 231 | P | 92.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.4 | -169 | -24.5 | 36.7 | 0 | 0 | 0 | 114.2 | P229 L233 L234 A254 D255 L258 | P229-P231 WeakPolarHBondContact O-CD 3.18Å; P231-L233 PolarHBondContact O-N 2.91Å; P231-L234 WeakPolarHBondContact O-CB 3.35Å; P231-L234 PolarHBondContact O-N 3.19Å; P231-L234 VanDerWaalsContact O-N 3.16Å; P231-A254 HydrophobicContact CB-CB 3.93Å; P231-A254 HydrophobicContact CG-CB 4.23Å; P231-D255 HydrophobicContact CB-CB 3.98Å; P231-D255 HydrophobicContact CG-CB 4.3Å; P231-L258 HydrophobicContact CG-CB 4.44Å; P231-L258 HydrophobicContact CG-CD1 3.77Å |
| 232 | S | 86.1 | Confident | 87.9 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.9 | 171.7 | 56 | 0 | 0 | 0 | 0 | 113.1 | M230 L234 T235 K236 R287 | M230-S232 VanDerWaalsContact CG-OG 3.3Å; M230-S232 WeakPolarHBondContact CG-OG 3.47Å; M230-S232 PolarHBondContact O-N 2.87Å; M230-S232 VanDerWaalsContact O-N 3.13Å; M230-S232 PolarHBondContact SD-OG 3.28Å; M230-S232 VanDerWaalsContact SD-OG 3.36Å; S232-L234 PolarHBondContact O-N 3.41Å; S232-T235 PolarHBondContact O-N 3.27Å; S232-T235 PolarHBondContact O-OG1 2.83Å; S232-K236 PolarHBondContact O-N 3.31Å; S232-R287 PolarHBondContact OG-NH1 2.72Å; S232-R287 VanDerWaalsContact OG-NH1 3.13Å |
| 233 | L | 86.4 | Confident | 87.3 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 176 | -68.3 | 170.3 | 0 | 0 | 0 | 112.6 | M230 P231 T235 K236 L237 V278 L279 | M230-L233 HydrophobicContact CB-CD1 3.96Å; M230-L233 HydrophobicContact CB-CG 4.06Å; M230-L233 VanDerWaalsContact O-CB 3.23Å; M230-L233 WeakPolarHBondContact O-CB 3.42Å; M230-L233 WeakPolarHBondContact O-CG 3.46Å; M230-L233 PolarHBondContact O-N 3.07Å; P231-L233 PolarHBondContact O-N 2.91Å; L233-T235 PolarHBondContact O-N 3.37Å; L233-T235 VanDerWaalsContact O-N 3.1Å; L233-K236 HydrophobicContact CD2-CD 4.44Å; L233-K236 PolarHBondContact O-N 3.02Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 2.88Å; L233-V278 WeakPolarHBondContact CD1-O 3.39Å; L233-L279 HydrophobicContact CD1-CD2 3.71Å; L233-L279 HydrophobicContact CD2-CD2 4.4Å; L233-L279 HydrophobicContact CG-CD2 4.25Å |
| 234 | L | 81.8 | Confident | 87 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.5 | -28.3 | 177.9 | -64.9 | 174.6 | 0 | 0 | 0 | 112.3 | P231 S232 | P231-L234 WeakPolarHBondContact O-CB 3.35Å; P231-L234 PolarHBondContact O-N 3.19Å; P231-L234 VanDerWaalsContact O-N 3.16Å; S232-L234 PolarHBondContact O-N 3.41Å |
| 235 | T | 83.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -84.7 | -35.9 | 175 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | S232 L233 K238 L243 A251 | S232-T235 PolarHBondContact O-N 3.27Å; S232-T235 PolarHBondContact O-OG1 2.83Å; L233-T235 PolarHBondContact O-N 3.37Å; L233-T235 VanDerWaalsContact O-N 3.1Å; T235-K238 PolarHBondContact O-N 2.99Å; T235-L243 HydrophobicContact CG2-CD2 4.43Å; T235-L243 WeakPolarHBondContact O-CD1 3.17Å; T235-A251 HydrophobicContact CG2-CB 3.63Å |
| 236 | K | 83.5 | Confident | 86.3 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 176.6 | -67.7 | -169.6 | 179.9 | -178.7 | 0 | 112.7 | R120 S232 L233 K238 D281 D284 | R120-K236 WeakPolarHBondContact CD-O 3.46Å; S232-K236 PolarHBondContact O-N 3.31Å; L233-K236 HydrophobicContact CD2-CD 4.44Å; L233-K236 PolarHBondContact O-N 3.02Å; K236-K238 VanDerWaalsContact C-N 3.27Å; K236-K238 PolarHBondContact O-N 3.05Å; K236-D281 IonicContact NZ-OD2 3.68Å; K236-D284 IonicContact NZ-OD1 3.44Å; K236-D284 PolarHBondContact NZ-OD1 3.29Å; K236-D284 IonicContact NZ-OD2 3.56Å; K236-D284 PolarHBondContact NZ-OD2 3.41Å |
| 237 | L | 82.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -14.9 | -177.1 | -65.8 | 173.9 | 0 | 0 | 0 | 114.2 | F118 R120 L233 | F118-L237 HydrophobicContact CD1-CD1 3.93Å; F118-L237 WeakPolarHBondContact O-CD2 3.2Å; R120-L237 WeakPolarHBondContact CD-O 3.04Å; R120-L237 WeakPolarHBondContact CG-O 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.4Å; L233-L237 PolarHBondContact O-N 2.88Å |
| 238 | K | 81 | Confident | 85.5 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -100.3 | 151.9 | 177.9 | -71.8 | -178.5 | 175.4 | -179.2 | 0 | 110.6 | R120 T235 K236 P240 L243 | R120-K238 PolarHBondContact NH1-O 2.67Å; T235-K238 PolarHBondContact O-N 2.99Å; K236-K238 VanDerWaalsContact C-N 3.27Å; K236-K238 PolarHBondContact O-N 3.05Å; K238-P240 WeakPolarHBondContact O-CD 3.36Å; K238-L243 HydrophobicContact CB-CD1 4.02Å; K238-L243 HydrophobicContact CB-CD2 4.1Å; K238-L243 HydrophobicContact CB-CG 3.84Å; K238-L243 HydrophobicContact CD-CD2 3.84Å; K238-L243 HydrophobicContact CD-CG 4.38Å |
| 239 | D | 75.8 | Confident | 85.3 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -59.7 | 122.8 | 168 | -178.5 | -15.6 | 0 | 0 | 0 | 109.8 | S241 R242 L243 | D239-S241 PolarHBondContact O-N 3.39Å; D239-S241 VanDerWaalsContact O-N 3.13Å; D239-S241 WeakPolarHBondContact OD1-CB 3.2Å; D239-S241 PolarHBondContact OD1-N 3.33Å; D239-S241 PolarHBondContact OD1-OG 3.27Å; D239-S241 PolarHBondContact OD2-OG 2.9Å; D239-R242 HydrophobicContact CB-CB 4.2Å; D239-R242 HydrophobicContact CB-CG 4Å; D239-R242 PolarHBondContact O-N 2.98Å; D239-R242 IonicContact OD2-NE 3.79Å; D239-L243 PolarHBondContact O-N 3.06Å | ||
| 240 | P | 75.4 | Confident | 85.1 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -51.3 | -34.4 | 177.4 | -28.7 | 34.4 | 0 | 0 | 0 | 113.8 | R120 K238 R242 R248 | R120-P240 VanDerWaalsContact NH1-CD 3.3Å; K238-P240 WeakPolarHBondContact O-CD 3.36Å; P240-R242 VanDerWaalsContact C-N 3.26Å; P240-R242 PolarHBondContact O-N 2.88Å; P240-R248 PolarHBondContact O-NH2 2.86Å |
| 241 | S | 75.3 | Confident | 85 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 69% | 0.685 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -71 | -21.1 | 179.6 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | D239 | D239-S241 PolarHBondContact O-N 3.39Å; D239-S241 VanDerWaalsContact O-N 3.13Å; D239-S241 WeakPolarHBondContact OD1-CB 3.2Å; D239-S241 PolarHBondContact OD1-N 3.33Å; D239-S241 PolarHBondContact OD1-OG 3.27Å; D239-S241 PolarHBondContact OD2-OG 2.9Å |
| 242 | R | 80 | Confident | 85 | Confident | 199 Ų | 199 | 85.9 Ų | 85.9 | 75% | 0.751 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -101.3 | -6.2 | -178.6 | -60.5 | -174.6 | -178.9 | -171.9 | -2.4 | 113.7 | D239 P240 T244 | D239-R242 HydrophobicContact CB-CB 4.2Å; D239-R242 HydrophobicContact CB-CG 4Å; D239-R242 PolarHBondContact O-N 2.98Å; D239-R242 IonicContact OD2-NE 3.79Å; P240-R242 VanDerWaalsContact C-N 3.26Å; P240-R242 PolarHBondContact O-N 2.88Å; R242-T244 PolarHBondContact O-N 3.37Å |
| 243 | L | 82.6 | Confident | 85.4 | Confident | 19 Ų | 19 | 88.6 Ų | 88.6 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | trans | -78.6 | 116.3 | 179.9 | -88.3 | 160.1 | 0 | 0 | 0 | 111.5 | T235 K238 D239 Q247 R248 | T235-L243 HydrophobicContact CG2-CD2 4.43Å; T235-L243 WeakPolarHBondContact O-CD1 3.17Å; K238-L243 HydrophobicContact CB-CD1 4.02Å; K238-L243 HydrophobicContact CB-CD2 4.1Å; K238-L243 HydrophobicContact CB-CG 3.84Å; K238-L243 HydrophobicContact CD-CD2 3.84Å; K238-L243 HydrophobicContact CD-CG 4.38Å; D239-L243 PolarHBondContact O-N 3.06Å; L243-Q247 HydrophobicContact CD2-CB 4.14Å; L243-R248 HydrophobicContact CB-CG 4.37Å | ||
| 244 | T | 88.1 | Confident | 85.8 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | trans | -71.6 | 154.6 | 175.2 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | R242 S246 Q247 R248 | R242-T244 PolarHBondContact O-N 3.37Å; T244-S246 PolarHBondContact O-N 3.08Å; T244-S246 PolarHBondContact OG1-OG 2.89Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 VanDerWaalsContact O-N 3.15Å; T244-Q247 WeakPolarHBondContact OG1-CB 3.41Å; T244-Q247 VanDerWaalsContact OG1-CG 3.25Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.29Å; T244-Q247 PolarHBondContact OG1-N 3.38Å; T244-Q247 VanDerWaalsContact OG1-N 3.14Å; T244-R248 PolarHBondContact O-N 2.75Å; T244-R248 VanDerWaalsContact O-N 3.12Å | ||
| 245 | R | 88.8 | Confident | 86.4 | Confident | 227 Ų | 227 | 85.8 Ų | 85.8 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.4 | -36.7 | 174.6 | -169.2 | 178 | -177.1 | -179.5 | 1 | 112.1 | R248 L249 | R245-R248 PolarHBondContact O-N 2.75Å; R245-L249 WeakPolarHBondContact O-CB 3.26Å; R245-L249 PolarHBondContact O-N 2.94Å |
| 246 | S | 89.4 | Confident | 86.9 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | T244 R248 L249 I250 | T244-S246 PolarHBondContact O-N 3.08Å; T244-S246 PolarHBondContact OG1-OG 2.89Å; S246-R248 PolarHBondContact O-N 2.81Å; S246-L249 PolarHBondContact O-N 3.16Å; S246-I250 VanDerWaalsContact O-CG1 3.25Å; S246-I250 WeakPolarHBondContact O-CG1 3.45Å; S246-I250 PolarHBondContact O-N 2.7Å |
| 247 | Q | 88.6 | Confident | 87.4 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176.6 | -74.6 | 170.4 | -14.2 | 0 | 0 | 111.9 | L243 T244 I250 A251 | L243-Q247 HydrophobicContact CD2-CB 4.14Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 VanDerWaalsContact O-N 3.15Å; T244-Q247 WeakPolarHBondContact OG1-CB 3.41Å; T244-Q247 VanDerWaalsContact OG1-CG 3.25Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.29Å; T244-Q247 PolarHBondContact OG1-N 3.38Å; T244-Q247 VanDerWaalsContact OG1-N 3.14Å; Q247-I250 PolarHBondContact O-N 2.97Å; Q247-A251 WeakPolarHBondContact O-CB 3.4Å; Q247-A251 PolarHBondContact O-N 3.12Å |
| 248 | R | 89.1 | Confident | 88.1 | Confident | 131 Ų | 131 | 83.3 Ų | 83.3 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.8 | -64.4 | -179.8 | -168.9 | -173.4 | 1.1 | 111.5 | P240 L243 T244 R245 S246 A251 W252 | P240-R248 PolarHBondContact O-NH2 2.86Å; L243-R248 HydrophobicContact CB-CG 4.37Å; T244-R248 PolarHBondContact O-N 2.75Å; T244-R248 VanDerWaalsContact O-N 3.12Å; R245-R248 PolarHBondContact O-N 2.75Å; S246-R248 PolarHBondContact O-N 2.81Å; R248-A251 PolarHBondContact O-N 3.48Å; R248-W252 WeakPolarHBondContact O-CB 3.21Å; R248-W252 PolarHBondContact O-N 3.43Å |
| 249 | L | 91.6 | Very high | 88.8 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 176.6 | -178.3 | 64.5 | 0 | 0 | 0 | 111.9 | R245 S246 W252 L253 | R245-L249 WeakPolarHBondContact O-CB 3.26Å; R245-L249 PolarHBondContact O-N 2.94Å; S246-L249 PolarHBondContact O-N 3.16Å; L249-W252 HydrophobicContact CD1-CE3 3.96Å; L249-W252 HydrophobicContact CD1-CZ3 4.3Å; L249-W252 PolarHBondContact O-N 3.48Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.32Å; L249-L253 PolarHBondContact O-N 3.27Å |
| 250 | I | 91.9 | Very high | 89.8 | Confident | 112 Ų | 112 | 81 Ų | 81 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.3 | -46.5 | 177.2 | -69.9 | 164 | 0 | 0 | 0 | 110.6 | S246 Q247 L253 A254 | S246-I250 VanDerWaalsContact O-CG1 3.25Å; S246-I250 WeakPolarHBondContact O-CG1 3.45Å; S246-I250 PolarHBondContact O-N 2.7Å; Q247-I250 PolarHBondContact O-N 2.97Å; I250-L253 PolarHBondContact O-N 3.36Å; I250-A254 VanDerWaalsContact O-CB 3.29Å; I250-A254 WeakPolarHBondContact O-CB 3.29Å; I250-A254 PolarHBondContact O-N 2.66Å |
| 251 | A | 91.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 82.7 Ų | 82.7 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T235 Q247 R248 L253 A254 D255 | T235-A251 HydrophobicContact CG2-CB 3.63Å; Q247-A251 WeakPolarHBondContact O-CB 3.4Å; Q247-A251 PolarHBondContact O-N 3.12Å; R248-A251 PolarHBondContact O-N 3.48Å; A251-L253 PolarHBondContact O-N 2.97Å; A251-A254 PolarHBondContact O-N 2.99Å; A251-D255 WeakPolarHBondContact O-CB 3.28Å; A251-D255 PolarHBondContact O-N 3.36Å |
| 252 | W | 93.3 | Very high | 92 | Very high | 156 Ų | 156 | 80 Ų | 80 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 175.5 | 171.6 | 81.8 | 0 | 0 | 0 | 112.6 | R248 L249 D255 T256 | R248-W252 WeakPolarHBondContact O-CB 3.21Å; R248-W252 PolarHBondContact O-N 3.43Å; L249-W252 HydrophobicContact CD1-CE3 3.96Å; L249-W252 HydrophobicContact CD1-CZ3 4.3Å; L249-W252 PolarHBondContact O-N 3.48Å; W252-D255 PolarHBondContact O-N 3.16Å; W252-T256 VanDerWaalsContact O-CB 3.25Å; W252-T256 WeakPolarHBondContact O-CB 3.3Å; W252-T256 PolarHBondContact O-N 2.97Å; W252-T256 PolarHBondContact O-OG1 3.02Å |
| 253 | L | 94.3 | Very high | 92.8 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 178.3 | -179.4 | 63.3 | 0 | 0 | 0 | 110.7 | L249 I250 A251 D255 T256 L257 | L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.32Å; L249-L253 PolarHBondContact O-N 3.27Å; I250-L253 PolarHBondContact O-N 3.36Å; A251-L253 PolarHBondContact O-N 2.97Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.65Å; L253-T256 PolarHBondContact O-N 2.83Å; L253-L257 HydrophobicContact CD1-CD1 3.93Å; L253-L257 HydrophobicContact CD1-CG 4.15Å; L253-L257 HydrophobicContact CG-CD1 3.91Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.15Å; L253-L257 VanDerWaalsContact O-CG 3.25Å; L253-L257 WeakPolarHBondContact O-CG 3.31Å; L253-L257 PolarHBondContact O-N 3.25Å |
| 254 | A | 94.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 69.8 Ų | 69.8 | 26% | 0.256 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P231 I250 A251 L257 L258 | P231-A254 HydrophobicContact CB-CB 3.93Å; P231-A254 HydrophobicContact CG-CB 4.23Å; I250-A254 VanDerWaalsContact O-CB 3.29Å; I250-A254 WeakPolarHBondContact O-CB 3.29Å; I250-A254 PolarHBondContact O-N 2.66Å; A251-A254 PolarHBondContact O-N 2.99Å; A254-L257 PolarHBondContact O-N 2.96Å; A254-L258 HydrophobicContact CB-CD1 4.46Å; A254-L258 VanDerWaalsContact O-CB 3.26Å; A254-L258 WeakPolarHBondContact O-CB 2.73Å; A254-L258 WeakPolarHBondContact O-CG 3.38Å; A254-L258 PolarHBondContact O-N 3.13Å |
| 255 | D | 94.3 | Very high | 94 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.1 | -170.3 | 86.4 | 0 | 0 | 0 | 111.1 | P231 A251 W252 L253 L257 L258 M259 R287 | P231-D255 HydrophobicContact CB-CB 3.98Å; P231-D255 HydrophobicContact CG-CB 4.3Å; A251-D255 WeakPolarHBondContact O-CB 3.28Å; A251-D255 PolarHBondContact O-N 3.36Å; W252-D255 PolarHBondContact O-N 3.16Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.65Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.25Å; D255-L258 PolarHBondContact O-N 2.84Å; D255-M259 VanDerWaalsContact O-CB 3.23Å; D255-M259 WeakPolarHBondContact O-CB 3.28Å; D255-M259 WeakPolarHBondContact O-CG 3.16Å; D255-M259 PolarHBondContact O-N 3.48Å; D255-R287 IonicContact OD1-CZ 2.97Å; D255-R287 IonicContact OD1-NH1 3.71Å; D255-R287 PolarHBondContact OD1-NH1 2.92Å; D255-R287 IonicContact OD1-NH2 2.7Å; D255-R287 PolarHBondContact OD1-NH2 3.47Å; D255-R287 IonicContact OD2-CZ 2.7Å; D255-R287 IonicContact OD2-NH1 2.6Å; D255-R287 IonicContact OD2-NH2 2.68Å; D255-R287 PolarHBondContact OD2-NH2 2.98Å |
| 256 | T | 93.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 175.9 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | W252 L253 R260 | W252-T256 VanDerWaalsContact O-CB 3.25Å; W252-T256 WeakPolarHBondContact O-CB 3.3Å; W252-T256 PolarHBondContact O-N 2.97Å; W252-T256 PolarHBondContact O-OG1 3.02Å; L253-T256 PolarHBondContact O-N 2.83Å; T256-R260 PolarHBondContact O-NE 3.39Å; T256-R260 PolarHBondContact O-NH1 3.13Å; T256-R260 VanDerWaalsContact O-NH1 3.11Å; T256-R260 PolarHBondContact O-NH2 3.14Å |
| 257 | L | 95.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.1 | -37.7 | -176.7 | -67.2 | 173.5 | 0 | 0 | 0 | 113.4 | Y212 L253 A254 D255 | Y212-L257 HydrophobicContact CD2-CD2 4.43Å; Y212-L257 HydrophobicContact CE1-CD2 4.27Å; Y212-L257 HydrophobicContact CE2-CB 4.19Å; Y212-L257 HydrophobicContact CE2-CD2 3.68Å; Y212-L257 WeakPolarHBondContact OH-CA 3.47Å; Y212-L257 PolarHBondContact OH-O 3.38Å; L253-L257 HydrophobicContact CD1-CD1 3.93Å; L253-L257 HydrophobicContact CD1-CG 4.15Å; L253-L257 HydrophobicContact CG-CD1 3.91Å; L253-L257 HydrophobicContact CG-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.15Å; L253-L257 VanDerWaalsContact O-CG 3.25Å; L253-L257 WeakPolarHBondContact O-CG 3.31Å; L253-L257 PolarHBondContact O-N 3.25Å; A254-L257 PolarHBondContact O-N 2.96Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.25Å |
| 258 | L | 95.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -85.2 | -41.6 | -174.6 | -76.1 | 160.9 | 0 | 0 | 0 | 113.1 | V204 L208 I228 P231 A254 D255 R260 | V204-L258 HydrophobicContact CG1-CD2 3.74Å; L208-L258 HydrophobicContact CD1-CD2 3.65Å; L208-L258 HydrophobicContact CD1-CG 4.01Å; L208-L258 HydrophobicContact CD2-CD2 4.12Å; L208-L258 HydrophobicContact CG-CD2 4.15Å; I228-L258 HydrophobicContact CD1-CD2 4.46Å; P231-L258 HydrophobicContact CG-CB 4.44Å; P231-L258 HydrophobicContact CG-CD1 3.77Å; A254-L258 HydrophobicContact CB-CD1 4.46Å; A254-L258 VanDerWaalsContact O-CB 3.26Å; A254-L258 WeakPolarHBondContact O-CB 2.73Å; A254-L258 WeakPolarHBondContact O-CG 3.38Å; A254-L258 PolarHBondContact O-N 3.13Å; D255-L258 PolarHBondContact O-N 2.84Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.49Å |
| 259 | M | 96.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | trans | -84.2 | 70.7 | -171.5 | -60.5 | -63.3 | 102 | 0 | 0 | 111.1 | I228 M230 D255 F264 I276 L291 | I228-M259 HydrophobicContact CD1-CE 3.44Å; I228-M259 VanDerWaalsContact CD1-CE 3.44Å; I228-M259 HydrophobicContact CG1-CE 4.17Å; M230-M259 HydrophobicContact CG-SD 4.41Å; D255-M259 VanDerWaalsContact O-CB 3.23Å; D255-M259 WeakPolarHBondContact O-CB 3.28Å; D255-M259 WeakPolarHBondContact O-CG 3.16Å; D255-M259 PolarHBondContact O-N 3.48Å; M259-F264 HydrophobicContact CE-CZ 4.01Å; M259-F264 HydrophobicContact SD-CZ 4.26Å; M259-I276 HydrophobicContact SD-CD1 4.18Å; M259-L291 HydrophobicContact CB-CD1 3.83Å; M259-L291 HydrophobicContact CB-CD2 4.35Å; M259-L291 HydrophobicContact CG-CD1 4.22Å; M259-L291 HydrophobicContact SD-CD1 3.95Å | ||
| 260 | R | 97.1 | Very high | 96 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 34% | 0.34 | 24% | 0.244 | S | C | . | . | trans | -116.4 | 114.9 | -176.1 | -65.5 | -58.8 | -167.3 | -153.9 | 9.9 | 112.3 | F211 Y212 T256 L258 A262 L263 F264 | F211-R260 HydrophobicContact CE1-CB 4.25Å; F211-R260 HydrophobicContact CE1-CG 4.14Å; F211-R260 HydrophobicContact CZ-CB 4.32Å; Y212-R260 PolarHBondContact OH-NE 3.12Å; T256-R260 PolarHBondContact O-NE 3.39Å; T256-R260 PolarHBondContact O-NH1 3.13Å; T256-R260 VanDerWaalsContact O-NH1 3.11Å; T256-R260 PolarHBondContact O-NH2 3.14Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.49Å; R260-A262 VanDerWaalsContact C-N 3.3Å; R260-A262 PolarHBondContact O-N 3.49Å; R260-L263 HydrophobicContact CB-CB 3.91Å; R260-L263 WeakPolarHBondContact O-CB 3.23Å; R260-L263 PolarHBondContact O-N 2.86Å; R260-F264 PolarHBondContact O-N 2.85Å | ||
| 261 | K | 97.4 | Very high | 96.2 | Very high | 112 Ų | 112 | 42.6 Ų | 42.6 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -46.7 | -50.1 | 171.7 | -95.9 | -177.4 | 173.2 | 179.4 | 0 | 113.1 | L263 F264 Q265 D290 L291 | K261-L263 VanDerWaalsContact C-N 3.28Å; K261-L263 PolarHBondContact O-N 3.33Å; K261-F264 PolarHBondContact O-N 3.33Å; K261-Q265 WeakPolarHBondContact O-CB 3.3Å; K261-Q265 VanDerWaalsContact O-CG 3.23Å; K261-Q265 WeakPolarHBondContact O-CG 3.46Å; K261-Q265 PolarHBondContact O-N 3.38Å; K261-D290 WeakPolarHBondContact CE-O 3.43Å; K261-D290 PolarHBondContact NZ-O 3.4Å; K261-L291 WeakPolarHBondContact CG-O 3.31Å |
| 262 | A | 97.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.1 | -34.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F211 R260 H266 | F211-A262 HydrophobicContact CE2-CB 4.32Å; F211-A262 HydrophobicContact CZ-CB 4.17Å; R260-A262 VanDerWaalsContact C-N 3.3Å; R260-A262 PolarHBondContact O-N 3.49Å; A262-H266 VanDerWaalsContact O-CB 3.31Å; A262-H266 WeakPolarHBondContact O-CB 3.49Å; A262-H266 PolarHBondContact O-N 3.14Å; A262-H266 VanDerWaalsContact O-N 3.08Å |
| 263 | L | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -49.7 | 174.3 | 175.1 | 60.9 | 0 | 0 | 0 | 110.3 | L207 L208 F211 L216 R260 K261 Q265 H266 L267 | L207-L263 HydrophobicContact CD1-CD1 4.29Å; L207-L263 HydrophobicContact CD2-CD1 4.41Å; L207-L263 HydrophobicContact CG-CD1 4.24Å; L208-L263 HydrophobicContact CD2-CD2 3.97Å; F211-L263 HydrophobicContact CB-CD1 4.26Å; F211-L263 HydrophobicContact CD2-CB 4.06Å; F211-L263 HydrophobicContact CD2-CD1 3.88Å; F211-L263 HydrophobicContact CE1-CB 4.46Å; F211-L263 HydrophobicContact CE2-CB 3.86Å; F211-L263 HydrophobicContact CE2-CD1 4.5Å; F211-L263 HydrophobicContact CG-CB 4.44Å; F211-L263 HydrophobicContact CG-CD1 4.12Å; F211-L263 HydrophobicContact CZ-CB 4.08Å; L216-L263 HydrophobicContact CD2-CD1 3.64Å; R260-L263 HydrophobicContact CB-CB 3.91Å; R260-L263 WeakPolarHBondContact O-CB 3.23Å; R260-L263 PolarHBondContact O-N 2.86Å; K261-L263 VanDerWaalsContact C-N 3.28Å; K261-L263 PolarHBondContact O-N 3.33Å; L263-Q265 PolarHBondContact O-N 2.61Å; L263-H266 WeakPolarHBondContact O-CB 3.35Å; L263-H266 PolarHBondContact O-N 2.77Å; L263-L267 HydrophobicContact CD1-CD1 4.11Å; L263-L267 HydrophobicContact CD1-CG 4.25Å; L263-L267 HydrophobicContact CG-CD1 4.15Å; L263-L267 WeakPolarHBondContact O-CG 3.29Å; L263-L267 PolarHBondContact O-N 3.39Å |
| 264 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | -178.2 | -63.9 | -2.3 | 0 | 0 | 0 | 111.1 | L226 I228 M259 R260 K261 H266 L267 T268 V274 I276 L291 | L226-F264 HydrophobicContact CD2-CE1 4.46Å; I228-F264 HydrophobicContact CD1-CE1 4.12Å; I228-F264 HydrophobicContact CD1-CZ 4.13Å; M259-F264 HydrophobicContact CE-CZ 4.01Å; M259-F264 HydrophobicContact SD-CZ 4.26Å; R260-F264 PolarHBondContact O-N 2.85Å; K261-F264 PolarHBondContact O-N 3.33Å; F264-H266 VanDerWaalsContact C-N 3.31Å; F264-H266 PolarHBondContact O-N 2.87Å; F264-L267 PolarHBondContact O-N 3.46Å; F264-L267 VanDerWaalsContact O-N 3.14Å; F264-T268 WeakPolarHBondContact O-CB 3.3Å; F264-T268 PolarHBondContact O-N 3.18Å; F264-T268 PolarHBondContact O-OG1 3.25Å; F264-V274 HydrophobicContact CB-CG2 4.39Å; F264-V274 HydrophobicContact CD1-CG1 3.85Å; F264-V274 HydrophobicContact CD1-CG2 4.45Å; F264-V274 HydrophobicContact CD2-CG1 4.09Å; F264-V274 HydrophobicContact CE1-CG1 3.95Å; F264-V274 HydrophobicContact CE2-CG1 4.18Å; F264-V274 HydrophobicContact CG-CG1 3.94Å; F264-V274 HydrophobicContact CG-CG2 4.48Å; F264-V274 HydrophobicContact CZ-CG1 4.12Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CZ-CD1 4.34Å; F264-L291 HydrophobicContact CD2-CB 4.09Å; F264-L291 WeakPolarHBondContact CD2-O 3.2Å; F264-L291 HydrophobicContact CE2-CB 3.9Å |
| 265 | Q | 98.2 | Very high | 97.1 | Very high | 122 Ų | 122 | 29.7 Ų | 29.7 | 57% | 0.57 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -56.9 | -43.4 | 174.7 | -72.9 | 172.7 | -17.8 | 0 | 0 | 112.2 | K261 L263 A269 | K261-Q265 WeakPolarHBondContact O-CB 3.3Å; K261-Q265 VanDerWaalsContact O-CG 3.23Å; K261-Q265 WeakPolarHBondContact O-CG 3.46Å; K261-Q265 PolarHBondContact O-N 3.38Å; L263-Q265 PolarHBondContact O-N 2.61Å; Q265-A269 VanDerWaalsContact O-CB 3.22Å; Q265-A269 WeakPolarHBondContact O-CB 3.46Å; Q265-A269 PolarHBondContact O-N 3.36Å |
| 266 | H | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 176.7 | -179.8 | 84 | 0 | 0 | 0 | 112.3 | L22 A262 L263 F264 R270 | L22-H266 HydrophobicContact CD1-CB 4.07Å; L22-H266 PolarHBondContact O-ND1 3.33Å; A262-H266 VanDerWaalsContact O-CB 3.31Å; A262-H266 WeakPolarHBondContact O-CB 3.49Å; A262-H266 PolarHBondContact O-N 3.14Å; A262-H266 VanDerWaalsContact O-N 3.08Å; L263-H266 WeakPolarHBondContact O-CB 3.35Å; L263-H266 PolarHBondContact O-N 2.77Å; F264-H266 VanDerWaalsContact C-N 3.31Å; F264-H266 PolarHBondContact O-N 2.87Å; H266-R270 VanDerWaalsContact NE2-CD 3.35Å; H266-R270 WeakPolarHBondContact NE2-CD 3.36Å; H266-R270 PolarHBondContact NE2-NH1 3.02Å; H266-R270 WeakPolarHBondContact O-CG 3.41Å; H266-R270 PolarHBondContact O-N 3.35Å |
| 267 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -47.8 | 178.3 | -66.4 | 173.9 | 0 | 0 | 0 | 111.5 | L207 L221 L226 L263 F264 A269 R270 G271 I272 V274 | L207-L267 HydrophobicContact CD1-CD2 4.17Å; L207-L267 HydrophobicContact CD2-CD1 4.12Å; L221-L267 HydrophobicContact CD1-CD2 3.7Å; L226-L267 HydrophobicContact CB-CD1 4.3Å; L226-L267 HydrophobicContact CD2-CD1 3.43Å; L226-L267 VanDerWaalsContact CD2-CD1 3.43Å; L226-L267 HydrophobicContact CG-CD1 4.47Å; L263-L267 HydrophobicContact CD1-CD1 4.11Å; L263-L267 HydrophobicContact CD1-CG 4.25Å; L263-L267 HydrophobicContact CG-CD1 4.15Å; L263-L267 WeakPolarHBondContact O-CG 3.29Å; L263-L267 PolarHBondContact O-N 3.39Å; F264-L267 PolarHBondContact O-N 3.46Å; F264-L267 VanDerWaalsContact O-N 3.14Å; L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 2.78Å; L267-R270 CarbonylContact O-C 3.54Å; L267-R270 WeakPolarHBondContact O-CA 3.29Å; L267-R270 WeakPolarHBondContact O-CB 3.41Å; L267-R270 PolarHBondContact O-N 3.16Å; L267-G271 PolarHBondContact O-N 3.45Å; L267-I272 CarbonylContact C-O 3.52Å; L267-I272 HydrophobicContact CB-CB 4.09Å; L267-I272 HydrophobicContact CB-CG2 4.26Å; L267-I272 HydrophobicContact CD2-CD1 3.91Å; L267-I272 HydrophobicContact CD2-CG2 4.48Å; L267-I272 WeakPolarHBondContact O-CB 3.19Å; L267-I272 PolarHBondContact O-N 2.65Å; L267-V274 HydrophobicContact CB-CG2 4.1Å; L267-V274 HydrophobicContact CD1-CG2 4.11Å |
| 268 | T | 97.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 27.3 Ų | 27.3 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | F264 R270 G271 I272 T294 | F264-T268 WeakPolarHBondContact O-CB 3.3Å; F264-T268 PolarHBondContact O-N 3.18Å; F264-T268 PolarHBondContact O-OG1 3.25Å; T268-R270 PolarHBondContact O-N 3.32Å; T268-G271 PolarHBondContact O-N 2.77Å; T268-I272 WeakPolarHBondContact CA-O 3.39Å; T268-I272 PolarHBondContact N-O 2.73Å; T268-T294 HydrophobicContact CG2-CG2 3.91Å; T268-T294 WeakPolarHBondContact OG1-CG2 3.27Å |
| 269 | A | 97.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 30% | 0.298 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.1 | -23.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P25 Q265 L267 | P25-A269 HydrophobicContact CG-CB 3.61Å; Q265-A269 VanDerWaalsContact O-CB 3.22Å; Q265-A269 WeakPolarHBondContact O-CB 3.46Å; Q265-A269 PolarHBondContact O-N 3.36Å; L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 2.78Å |
| 270 | R | 97.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.8 | 173.2 | -65.4 | 172.3 | 70.5 | 167.8 | 6.7 | 113.4 | P25 H29 K32 M219 L221 H266 L267 T268 I272 | P25-R270 HydrophobicContact CB-CG 3.56Å; P25-R270 HydrophobicContact CG-CG 3.73Å; H29-R270 PolarHBondContact CE1-NH2 3.09Å; H29-R270 PolarHBondContact ND1-NH2 2.82Å; K32-R270 PolarHBondContact N-O 2.81Å; M219-R270 PolarHBondContact O-NH1 3Å; M219-R270 PolarHBondContact O-NH2 2.96Å; L221-R270 VanDerWaalsContact CD1-NH1 3.31Å; H266-R270 VanDerWaalsContact NE2-CD 3.35Å; H266-R270 WeakPolarHBondContact NE2-CD 3.36Å; H266-R270 PolarHBondContact NE2-NH1 3.02Å; H266-R270 WeakPolarHBondContact O-CG 3.41Å; H266-R270 PolarHBondContact O-N 3.35Å; L267-R270 CarbonylContact O-C 3.54Å; L267-R270 WeakPolarHBondContact O-CA 3.29Å; L267-R270 WeakPolarHBondContact O-CB 3.41Å; L267-R270 PolarHBondContact O-N 3.16Å; T268-R270 PolarHBondContact O-N 3.32Å; R270-I272 HydrophobicContact CB-CD1 4.39Å; R270-I272 HydrophobicContact CB-CG1 4.45Å |
| 271 | G | 96.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 27.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L267 T268 | L267-G271 PolarHBondContact O-N 3.45Å; T268-G271 PolarHBondContact O-N 2.77Å |
| 272 | I | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -100.4 | 120.1 | 173 | -61 | 172 | 0 | 0 | 0 | 107.1 | K32 F199 L221 Q224 L267 T268 R270 | K32-I272 HydrophobicContact CD-CG1 4.09Å; F199-I272 HydrophobicContact CE2-CG2 4.06Å; L221-I272 HydrophobicContact CB-CD1 3.92Å; L221-I272 HydrophobicContact CD1-CD1 3.65Å; L221-I272 HydrophobicContact CG-CD1 4.45Å; Q224-I272 CarbonylContact O-C 3.49Å; Q224-I272 WeakPolarHBondContact O-CA 3.37Å; L267-I272 CarbonylContact C-O 3.52Å; L267-I272 HydrophobicContact CB-CB 4.09Å; L267-I272 HydrophobicContact CB-CG2 4.26Å; L267-I272 HydrophobicContact CD2-CD1 3.91Å; L267-I272 HydrophobicContact CD2-CG2 4.48Å; L267-I272 WeakPolarHBondContact O-CB 3.19Å; L267-I272 PolarHBondContact O-N 2.65Å; T268-I272 WeakPolarHBondContact CA-O 3.39Å; T268-I272 PolarHBondContact N-O 2.73Å; R270-I272 HydrophobicContact CB-CD1 4.39Å; R270-I272 HydrophobicContact CB-CG1 4.45Å | ||
| 273 | Q | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.023 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 142.5 | 178 | -70.6 | -176.2 | 70 | 0 | 0 | 110.3 | F36 L37 Q224 F225 L226 Y275 T294 | F36-Q273 PolarHBondContact O-NE2 3.49Å; L37-Q273 HydrophobicContact CD2-CG 4.43Å; Q224-Q273 PolarHBondContact O-N 2.92Å; F225-Q273 CarbonylContact C-O 3.42Å; F225-Q273 WeakPolarHBondContact CA-O 3.22Å; F225-Q273 HydrophobicContact CD1-CB 3.78Å; F225-Q273 HydrophobicContact CE1-CB 4.08Å; F225-Q273 HydrophobicContact CE1-CG 4.35Å; L226-Q273 PolarHBondContact N-O 3.28Å; Q273-Y275 HydrophobicContact CB-CD1 4.44Å; Q273-Y275 HydrophobicContact CB-CE1 3.72Å; Q273-Y275 HydrophobicContact CG-CE1 4.47Å; Q273-Y275 PolarHBondContact OE1-OH 3.18Å; Q273-T294 WeakPolarHBondContact CA-OG1 3.48Å; Q273-T294 WeakPolarHBondContact CB-OG1 3.35Å |
| 274 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 110.1 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L226 F264 L267 T294 G295 | L226-V274 HydrophobicContact CB-CG2 4.38Å; L226-V274 HydrophobicContact CD2-CG1 4.25Å; L226-V274 HydrophobicContact CD2-CG2 4.46Å; L226-V274 CarbonylContact O-C 3.1Å; L226-V274 WeakPolarHBondContact O-CA 3.49Å; F264-V274 HydrophobicContact CB-CG2 4.39Å; F264-V274 HydrophobicContact CD1-CG1 3.85Å; F264-V274 HydrophobicContact CD1-CG2 4.45Å; F264-V274 HydrophobicContact CD2-CG1 4.09Å; F264-V274 HydrophobicContact CE1-CG1 3.95Å; F264-V274 HydrophobicContact CE2-CG1 4.18Å; F264-V274 HydrophobicContact CG-CG1 3.94Å; F264-V274 HydrophobicContact CG-CG2 4.48Å; F264-V274 HydrophobicContact CZ-CG1 4.12Å; L267-V274 HydrophobicContact CB-CG2 4.1Å; L267-V274 HydrophobicContact CD1-CG2 4.11Å; V274-T294 PolarHBondContact N-OG1 3.16Å; V274-T294 PolarHBondContact O-N 3.26Å; V274-T294 PolarHBondContact O-OG1 2.91Å; V274-G295 PolarHBondContact O-N 3.01Å |
| 275 | Y | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.4 | 179 | -56.1 | -27.1 | 0 | 0 | 0 | 110.8 | S38 I41 M68 F225 L226 E227 I228 Q273 G295 | S38-Y275 WeakPolarHBondContact CB-OH 3.24Å; S38-Y275 VanDerWaalsContact O-CE1 3.31Å; S38-Y275 WeakPolarHBondContact O-CE1 3.2Å; I41-Y275 HydrophobicContact CD1-CD1 3.67Å; I41-Y275 HydrophobicContact CD1-CD2 3.7Å; I41-Y275 HydrophobicContact CD1-CE1 3.93Å; I41-Y275 HydrophobicContact CD1-CE2 3.95Å; I41-Y275 HydrophobicContact CD1-CG 3.55Å; M68-Y275 HydrophobicContact CE-CD2 4.09Å; M68-Y275 HydrophobicContact CE-CE2 3.65Å; M68-Y275 HydrophobicContact SD-CE2 4.42Å; F225-Y275 HydrophobicContact CD1-CD2 4.28Å; F225-Y275 AromaticContact CD1-CE2 3.4Å; F225-Y275 HydrophobicContact CD1-CE2 3.4Å; F225-Y275 VanDerWaalsContact CD1-CE2 3.4Å; F225-Y275 AromaticContact CD1-CZ 3.64Å; F225-Y275 AromaticContact CE1-CE2 3.94Å; F225-Y275 HydrophobicContact CE1-CE2 3.94Å; F225-Y275 AromaticContact CE1-CZ 3.87Å; F225-Y275 VanDerWaalsContact CE1-OH 3.23Å; F225-Y275 WeakPolarHBondContact CE1-OH 3.48Å; F225-Y275 HydrophobicContact CG-CE2 4.32Å; L226-Y275 PolarHBondContact O-N 2.85Å; E227-Y275 WeakPolarHBondContact CA-O 3.33Å; I228-Y275 PolarHBondContact N-O 3.43Å; Q273-Y275 HydrophobicContact CB-CD1 4.44Å; Q273-Y275 HydrophobicContact CB-CE1 3.72Å; Q273-Y275 HydrophobicContact CG-CE1 4.47Å; Q273-Y275 PolarHBondContact OE1-OH 3.18Å; Y275-G295 WeakPolarHBondContact CA-O 3.44Å |
| 276 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.1 | 175.2 | -53.8 | -174.9 | 0 | 0 | 0 | 109.2 | I228 M230 M259 F264 L279 A288 A293 G295 M297 | I228-I276 WeakPolarHBondContact O-CA 3.22Å; M230-I276 HydrophobicContact CB-CG2 3.8Å; M230-I276 HydrophobicContact CE-CG2 4.24Å; M259-I276 HydrophobicContact SD-CD1 4.18Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CZ-CD1 4.34Å; I276-L279 HydrophobicContact CB-CD1 4.11Å; I276-L279 HydrophobicContact CG2-CD1 3.79Å; I276-L279 HydrophobicContact CG2-CD2 3.95Å; I276-L279 HydrophobicContact CG2-CG 4.06Å; I276-A288 HydrophobicContact CB-CB 4.33Å; I276-A288 HydrophobicContact CD1-CB 3.85Å; I276-A293 HydrophobicContact CD1-CB 3.78Å; I276-A293 HydrophobicContact CG1-CB 3.89Å; I276-G295 PolarHBondContact N-O 3.1Å; I276-G295 VanDerWaalsContact N-O 3.16Å; I276-M297 PolarHBondContact O-N 2.69Å |
| 277 | W | 95.3 | Very high | 97 | Very high | 68 Ų | 68 | 27.8 Ų | 27.8 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 170.6 | -175.5 | 64.2 | -89.3 | 0 | 0 | 0 | 112.9 | F118 E227 I228 P229 M230 M297 | F118-W277 HydrophobicContact CE1-CE3 4.39Å; F118-W277 AromaticContact CE1-CZ3 3.94Å; F118-W277 HydrophobicContact CE1-CZ3 3.94Å; F118-W277 HydrophobicContact CZ-CE3 4.14Å; F118-W277 AromaticContact CZ-CZ3 3.65Å; F118-W277 HydrophobicContact CZ-CZ3 3.65Å; E227-W277 HydrophobicContact CG-CG 4.24Å; E227-W277 PolarHBondContact O-NE1 2.93Å; I228-W277 VanDerWaalsContact O-CD1 3.25Å; I228-W277 PolarHBondContact O-N 3Å; I228-W277 VanDerWaalsContact O-N 3.15Å; P229-W277 WeakPolarHBondContact CA-O 3.44Å; P229-W277 HydrophobicContact CB-CD2 4.27Å; P229-W277 HydrophobicContact CB-CE3 4.35Å; P229-W277 HydrophobicContact CB-CH2 4.42Å; P229-W277 HydrophobicContact CB-CZ2 4.29Å; P229-W277 HydrophobicContact CB-CZ3 4.43Å; P229-W277 HydrophobicContact CG-CZ2 4.26Å; M230-W277 PolarHBondContact N-O 3.06Å; W277-M297 HydrophobicContact CB-CB 3.79Å; W277-M297 HydrophobicContact CB-CG 4.08Å; W277-M297 HydrophobicContact CB-SD 3.74Å; W277-M297 HydrophobicContact CG-SD 4.48Å |
| 278 | V | 95.4 | Very high | 97 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | cis | -85.2 | 117.4 | -41.4 | -176.4 | 0 | 0 | 0 | 0 | 105.2 | H43 F118 L233 M297 D299 | H43-V278 HydrophobicContact CB-CG1 4.13Å; H43-V278 HydrophobicContact CB-CG2 4.27Å; F118-V278 HydrophobicContact CB-CB 3.9Å; F118-V278 HydrophobicContact CB-CG1 4.34Å; F118-V278 HydrophobicContact CD1-CB 4.41Å; F118-V278 HydrophobicContact CD2-CB 3.58Å; F118-V278 HydrophobicContact CD2-CG1 4.23Å; F118-V278 HydrophobicContact CD2-CG2 3.35Å; F118-V278 HydrophobicContact CE2-CB 4.21Å; F118-V278 HydrophobicContact CE2-CG2 3.49Å; F118-V278 VanDerWaalsContact CE2-CG2 3.49Å; F118-V278 HydrophobicContact CG-CB 3.71Å; F118-V278 HydrophobicContact CG-CG2 3.94Å; F118-V278 HydrophobicContact CZ-CG2 4.19Å; L233-V278 WeakPolarHBondContact CD1-O 3.39Å; V278-M297 WeakPolarHBondContact CA-O 3.34Å; V278-M297 HydrophobicContact CG2-SD 4.47Å; V278-D299 HydrophobicContact CG1-CB 4.44Å | ||
| 279 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -95.7 | 137.9 | 179.5 | -52.7 | 179.1 | 0 | 0 | 0 | 108.4 | M230 L233 I276 D284 F285 A288 V296 M297 T298 | M230-L279 HydrophobicContact CB-CD2 3.63Å; M230-L279 HydrophobicContact CE-CD1 4.02Å; M230-L279 HydrophobicContact CE-CD2 3.89Å; M230-L279 HydrophobicContact CG-CD2 4.45Å; M230-L279 HydrophobicContact SD-CD2 4.05Å; L233-L279 HydrophobicContact CD1-CD2 3.71Å; L233-L279 HydrophobicContact CD2-CD2 4.4Å; L233-L279 HydrophobicContact CG-CD2 4.25Å; I276-L279 HydrophobicContact CB-CD1 4.11Å; I276-L279 HydrophobicContact CG2-CD1 3.79Å; I276-L279 HydrophobicContact CG2-CD2 3.95Å; I276-L279 HydrophobicContact CG2-CG 4.06Å; L279-D284 HydrophobicContact CB-CB 4.16Å; L279-D284 HydrophobicContact CD1-CB 4.35Å; L279-D284 HydrophobicContact CD2-CB 3.91Å; L279-D284 HydrophobicContact CG-CB 4.35Å; L279-F285 VanDerWaalsContact C-CE1 3.47Å; L279-F285 HydrophobicContact CB-CD1 3.67Å; L279-F285 HydrophobicContact CB-CE1 3.65Å; L279-F285 HydrophobicContact CD1-CD1 4.48Å; L279-F285 WeakPolarHBondContact O-CE1 3.34Å; L279-A288 HydrophobicContact CD1-CB 3.52Å; L279-V296 HydrophobicContact CB-CG1 4.05Å; L279-V296 HydrophobicContact CD1-CG1 3.94Å; L279-V296 HydrophobicContact CD1-CG2 4.22Å; L279-V296 HydrophobicContact CG-CG1 4.33Å; L279-M297 PolarHBondContact N-O 2.93Å; L279-T298 VanDerWaalsContact O-CA 3.25Å; L279-T298 WeakPolarHBondContact O-CA 3.48Å; L279-T298 WeakPolarHBondContact O-CB 3.23Å; L279-T298 PolarHBondContact O-OG1 2.92Å | ||
| 280 | N | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | trans | -129.2 | -13.1 | -175.9 | -72.9 | -27.3 | 0 | 0 | 0 | 113.1 | F118 T298 D299 F300 R303 | F118-N280 PolarHBondContact O-ND2 2.93Å; N280-T298 PolarHBondContact OD1-OG1 3.42Å; N280-D299 PolarHBondContact ND2-OD2 3.29Å; N280-D299 VanDerWaalsContact OD1-CB 3.3Å; N280-D299 WeakPolarHBondContact OD1-CB 3.37Å; N280-D299 PolarHBondContact OD1-N 3.37Å; N280-F300 HydrophobicContact CB-CD2 3.67Å; N280-F300 HydrophobicContact CB-CE2 3.76Å; N280-F300 WeakPolarHBondContact OD1-CD2 3.4Å; N280-R303 WeakPolarHBondContact O-CD 3.28Å; N280-R303 PolarHBondContact O-NH1 3.01Å | ||
| 281 | D | 95.3 | Very high | 97 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -111 | 146.1 | -179.6 | -56.2 | -47.9 | 0 | 0 | 0 | 110.9 | K236 E283 D284 F285 | K236-D281 IonicContact NZ-OD2 3.68Å; D281-E283 VanDerWaalsContact C-N 3.28Å; D281-E283 PolarHBondContact O-N 2.74Å; D281-D284 PolarHBondContact O-N 3.24Å; D281-F285 WeakPolarHBondContact O-CG 3.26Å; D281-F285 PolarHBondContact O-N 3.05Å |
| 282 | E | 96.8 | Very high | 97 | Very high | 77 Ų | 77 | 32.2 Ų | 32.2 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.3 | -32.6 | -178.4 | -65.9 | -169.9 | -167.5 | 0 | 0 | 113.6 | D284 F285 Q286 R303 F307 R310 | E282-D284 VanDerWaalsContact C-N 3.28Å; E282-D284 PolarHBondContact O-N 2.67Å; E282-F285 HydrophobicContact CB-CD2 4.47Å; E282-F285 HydrophobicContact CG-CD2 4.24Å; E282-F285 WeakPolarHBondContact O-CB 3.41Å; E282-F285 PolarHBondContact O-N 3.05Å; E282-Q286 WeakPolarHBondContact O-CB 3.45Å; E282-Q286 PolarHBondContact O-N 2.84Å; E282-R303 HydrophobicContact CG-CG 4.36Å; E282-F307 HydrophobicContact CB-CD2 3.86Å; E282-F307 HydrophobicContact CB-CE2 4.26Å; E282-F307 HydrophobicContact CG-CB 4.44Å; E282-F307 HydrophobicContact CG-CD2 3.94Å; E282-R310 IonicContact OE1-CZ 3.85Å; E282-R310 IonicContact OE1-NH2 2.7Å; E282-R310 PolarHBondContact OE1-NH2 2.98Å; E282-R310 IonicContact OE2-CZ 3.49Å; E282-R310 IonicContact OE2-NH2 3.62Å; E282-R310 PolarHBondContact OE2-NH2 3.32Å |
| 283 | E | 95.9 | Very high | 97 | Very high | 153 Ų | 153 | 32.6 Ų | 32.6 | 72% | 0.715 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -60.6 | -39.8 | 174.3 | -64.7 | -178.2 | 177.4 | 0 | 0 | 111.7 | D281 R287 | D281-E283 VanDerWaalsContact C-N 3.28Å; D281-E283 PolarHBondContact O-N 2.74Å; E283-R287 VanDerWaalsContact O-CB 3.29Å; E283-R287 WeakPolarHBondContact O-CB 3.41Å; E283-R287 PolarHBondContact O-N 2.88Å |
| 284 | D | 96.3 | Very high | 97 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.7 | -36 | 178.5 | -69.3 | -24.6 | 0 | 0 | 0 | 110.7 | M230 K236 L279 D281 E282 R287 A288 | M230-D284 HydrophobicContact CE-CB 4.4Å; M230-D284 HydrophobicContact SD-CB 4.24Å; K236-D284 IonicContact NZ-OD1 3.44Å; K236-D284 PolarHBondContact NZ-OD1 3.29Å; K236-D284 IonicContact NZ-OD2 3.56Å; K236-D284 PolarHBondContact NZ-OD2 3.41Å; L279-D284 HydrophobicContact CB-CB 4.16Å; L279-D284 HydrophobicContact CD1-CB 4.35Å; L279-D284 HydrophobicContact CD2-CB 3.91Å; L279-D284 HydrophobicContact CG-CB 4.35Å; D281-D284 PolarHBondContact O-N 3.24Å; E282-D284 VanDerWaalsContact C-N 3.28Å; E282-D284 PolarHBondContact O-N 2.67Å; D284-R287 PolarHBondContact O-N 2.97Å; D284-A288 WeakPolarHBondContact O-CB 3.43Å; D284-A288 PolarHBondContact O-N 2.8Å |
| 285 | F | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.9 | -52.2 | 171.5 | -59.2 | -24.1 | 0 | 0 | 0 | 111.3 | L279 D281 E282 R287 A288 F289 V296 R303 L304 F307 | L279-F285 VanDerWaalsContact C-CE1 3.47Å; L279-F285 HydrophobicContact CB-CD1 3.67Å; L279-F285 HydrophobicContact CB-CE1 3.65Å; L279-F285 HydrophobicContact CD1-CD1 4.48Å; L279-F285 WeakPolarHBondContact O-CE1 3.34Å; D281-F285 WeakPolarHBondContact O-CG 3.26Å; D281-F285 PolarHBondContact O-N 3.05Å; E282-F285 HydrophobicContact CB-CD2 4.47Å; E282-F285 HydrophobicContact CG-CD2 4.24Å; E282-F285 WeakPolarHBondContact O-CB 3.41Å; E282-F285 PolarHBondContact O-N 3.05Å; F285-R287 VanDerWaalsContact C-N 3.32Å; F285-R287 PolarHBondContact O-N 3.28Å; F285-A288 PolarHBondContact O-N 3.18Å; F285-F289 WeakPolarHBondContact O-CD2 3.44Å; F285-F289 PolarHBondContact O-N 3.39Å; F285-F289 VanDerWaalsContact O-N 3.09Å; F285-V296 HydrophobicContact CD1-CG1 3.62Å; F285-V296 HydrophobicContact CE1-CG1 3.79Å; F285-R303 HydrophobicContact CE2-CG 4.1Å; F285-L304 HydrophobicContact CB-CD1 4.24Å; F285-L304 HydrophobicContact CD1-CD1 3.9Å; F285-L304 HydrophobicContact CD2-CD1 3.77Å; F285-L304 HydrophobicContact CE1-CD1 4.06Å; F285-L304 HydrophobicContact CE2-CB 3.95Å; F285-L304 HydrophobicContact CE2-CD1 4.01Å; F285-L304 HydrophobicContact CG-CD1 3.73Å; F285-L304 HydrophobicContact CZ-CB 3.95Å; F285-L304 HydrophobicContact CZ-CD1 4.15Å; F285-F307 HydrophobicContact CB-CD1 3.88Å; F285-F307 HydrophobicContact CB-CD2 4.46Å; F285-F307 HydrophobicContact CB-CE1 3.77Å; F285-F307 HydrophobicContact CB-CE2 4.35Å; F285-F307 HydrophobicContact CB-CG 4.24Å; F285-F307 HydrophobicContact CB-CZ 4.02Å; F285-F307 HydrophobicContact CD2-CB 4.14Å; F285-F307 HydrophobicContact CD2-CD1 4.26Å; F285-F307 HydrophobicContact CD2-CD2 4.47Å; F285-F307 HydrophobicContact CD2-CG 4.02Å |
| 286 | Q | 97.8 | Very high | 97 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 177.6 | -175.2 | 62.6 | 57.2 | 0 | 0 | 110.6 | E282 A288 F289 D290 F307 | E282-Q286 WeakPolarHBondContact O-CB 3.45Å; E282-Q286 PolarHBondContact O-N 2.84Å; Q286-A288 VanDerWaalsContact C-N 3.3Å; Q286-A288 PolarHBondContact O-N 3.22Å; Q286-F289 PolarHBondContact O-N 3.44Å; Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 VanDerWaalsContact O-CB 3.31Å; Q286-D290 WeakPolarHBondContact O-CB 3.3Å; Q286-D290 PolarHBondContact O-N 3.36Å; Q286-F307 HydrophobicContact CB-CE2 4.16Å; Q286-F307 HydrophobicContact CB-CZ 3.83Å |
| 287 | R | 97 | Very high | 97 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.4 | -41.6 | 178.9 | -177.2 | 179.9 | -178.7 | -133.2 | -5.5 | 112.4 | M230 S232 D255 E283 D284 F285 L291 | M230-R287 HydrophobicContact CE-CB 4.2Å; M230-R287 HydrophobicContact CE-CG 4.06Å; M230-R287 VanDerWaalsContact CG-NH1 3.3Å; M230-R287 PolarHBondContact SD-NH1 2.89Å; S232-R287 PolarHBondContact OG-NH1 2.72Å; S232-R287 VanDerWaalsContact OG-NH1 3.13Å; D255-R287 IonicContact OD1-CZ 2.97Å; D255-R287 IonicContact OD1-NH1 3.71Å; D255-R287 PolarHBondContact OD1-NH1 2.92Å; D255-R287 IonicContact OD1-NH2 2.7Å; D255-R287 PolarHBondContact OD1-NH2 3.47Å; D255-R287 IonicContact OD2-CZ 2.7Å; D255-R287 IonicContact OD2-NH1 2.6Å; D255-R287 IonicContact OD2-NH2 2.68Å; D255-R287 PolarHBondContact OD2-NH2 2.98Å; E283-R287 VanDerWaalsContact O-CB 3.29Å; E283-R287 WeakPolarHBondContact O-CB 3.41Å; E283-R287 PolarHBondContact O-N 2.88Å; D284-R287 PolarHBondContact O-N 2.97Å; F285-R287 VanDerWaalsContact C-N 3.32Å; F285-R287 PolarHBondContact O-N 3.28Å; R287-L291 HydrophobicContact CG-CD1 4.11Å; R287-L291 WeakPolarHBondContact O-CB 3.21Å; R287-L291 WeakPolarHBondContact O-CD1 3.46Å; R287-L291 VanDerWaalsContact O-CG 3.24Å; R287-L291 WeakPolarHBondContact O-CG 3.42Å; R287-L291 PolarHBondContact O-N 2.86Å |
| 288 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M230 I276 L279 D284 F285 Q286 L291 G292 A293 V296 | M230-A288 HydrophobicContact CE-CB 4.26Å; I276-A288 HydrophobicContact CB-CB 4.33Å; I276-A288 HydrophobicContact CD1-CB 3.85Å; L279-A288 HydrophobicContact CD1-CB 3.52Å; D284-A288 WeakPolarHBondContact O-CB 3.43Å; D284-A288 PolarHBondContact O-N 2.8Å; F285-A288 PolarHBondContact O-N 3.18Å; Q286-A288 VanDerWaalsContact C-N 3.3Å; Q286-A288 PolarHBondContact O-N 3.22Å; A288-L291 PolarHBondContact O-N 2.77Å; A288-G292 PolarHBondContact O-N 2.83Å; A288-A293 HydrophobicContact CB-CB 4.23Å; A288-A293 WeakPolarHBondContact O-CB 3.49Å; A288-A293 PolarHBondContact O-N 3.26Å; A288-V296 HydrophobicContact CB-CG2 3.73Å |
| 289 | F | 97.5 | Very high | 97.3 | Very high | 34 Ų | 34 | 30.4 Ų | 30.4 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -39 | 177.2 | -70.2 | -61.4 | 0 | 0 | 0 | 112.2 | F285 Q286 L291 G292 V296 L304 F307 M308 I313 | F285-F289 WeakPolarHBondContact O-CD2 3.44Å; F285-F289 PolarHBondContact O-N 3.39Å; F285-F289 VanDerWaalsContact O-N 3.09Å; Q286-F289 PolarHBondContact O-N 3.44Å; F289-L291 VanDerWaalsContact C-N 3.25Å; F289-L291 PolarHBondContact O-N 2.86Å; F289-G292 WeakPolarHBondContact O-CA 3.24Å; F289-G292 PolarHBondContact O-N 3.49Å; F289-V296 HydrophobicContact CD2-CG2 4.27Å; F289-V296 HydrophobicContact CE1-CG2 4.17Å; F289-V296 HydrophobicContact CE2-CB 4.44Å; F289-V296 HydrophobicContact CE2-CG2 3.75Å; F289-V296 HydrophobicContact CZ-CB 4.21Å; F289-V296 HydrophobicContact CZ-CG2 3.69Å; F289-L304 HydrophobicContact CE2-CD1 4.21Å; F289-F307 AromaticContact CD2-CE1 3.9Å; F289-F307 HydrophobicContact CD2-CE1 3.9Å; F289-F307 HydrophobicContact CE2-CD1 4.48Å; F289-F307 HydrophobicContact CE2-CE1 4.09Å; F289-M308 HydrophobicContact CE2-CG 4.31Å; F289-M308 HydrophobicContact CZ-CG 4.36Å; F289-M308 HydrophobicContact CZ-SD 4.35Å; F289-I313 HydrophobicContact CB-CD1 4.46Å; F289-I313 HydrophobicContact CD2-CD1 3.62Å; F289-I313 HydrophobicContact CE1-CG2 4.33Å; F289-I313 HydrophobicContact CE2-CD1 3.9Å; F289-I313 HydrophobicContact CG-CD1 3.98Å; F289-I313 HydrophobicContact CZ-CD1 4.49Å; F289-I313 HydrophobicContact CZ-CG2 4.38Å |
| 290 | D | 96.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.5 | -40.6 | 174.3 | -78.2 | -12.8 | 0 | 0 | 0 | 111.3 | K261 Q286 G292 | K261-D290 WeakPolarHBondContact CE-O 3.43Å; K261-D290 PolarHBondContact NZ-O 3.4Å; Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 VanDerWaalsContact O-CB 3.31Å; Q286-D290 WeakPolarHBondContact O-CB 3.3Å; Q286-D290 PolarHBondContact O-N 3.36Å; D290-G292 PolarHBondContact O-N 3.49Å |
| 291 | L | 96.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 13% | 0.131 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.8 | 176.4 | -74.1 | 166.2 | 0 | 0 | 0 | 113.5 | M259 K261 F264 R287 A288 F289 | M259-L291 HydrophobicContact CB-CD1 3.83Å; M259-L291 HydrophobicContact CB-CD2 4.35Å; M259-L291 HydrophobicContact CG-CD1 4.22Å; M259-L291 HydrophobicContact SD-CD1 3.95Å; K261-L291 WeakPolarHBondContact CG-O 3.31Å; F264-L291 HydrophobicContact CD2-CB 4.09Å; F264-L291 WeakPolarHBondContact CD2-O 3.2Å; F264-L291 HydrophobicContact CE2-CB 3.9Å; R287-L291 HydrophobicContact CG-CD1 4.11Å; R287-L291 WeakPolarHBondContact O-CB 3.21Å; R287-L291 WeakPolarHBondContact O-CD1 3.46Å; R287-L291 VanDerWaalsContact O-CG 3.24Å; R287-L291 WeakPolarHBondContact O-CG 3.42Å; R287-L291 PolarHBondContact O-N 2.86Å; A288-L291 PolarHBondContact O-N 2.77Å; F289-L291 VanDerWaalsContact C-N 3.25Å; F289-L291 PolarHBondContact O-N 2.86Å |
| 292 | G | 96.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 32% | 0.32 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 25.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A288 F289 D290 | A288-G292 PolarHBondContact O-N 2.83Å; F289-G292 WeakPolarHBondContact O-CA 3.24Å; F289-G292 PolarHBondContact O-N 3.49Å; D290-G292 PolarHBondContact O-N 3.49Å |
| 293 | A | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | trans | -57.5 | 138.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I276 A288 G295 | I276-A293 HydrophobicContact CD1-CB 3.78Å; I276-A293 HydrophobicContact CG1-CB 3.89Å; A288-A293 HydrophobicContact CB-CB 4.23Å; A288-A293 WeakPolarHBondContact O-CB 3.49Å; A288-A293 PolarHBondContact O-N 3.26Å; A293-G295 VanDerWaalsContact C-N 3.34Å | ||
| 294 | T | 97.2 | Very high | 97.7 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 17% | 0.166 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -83.7 | -18.6 | 176.6 | 64 | 0 | 0 | 0 | 0 | 111.6 | S38 K39 T268 Q273 V274 | S38-T294 VanDerWaalsContact O-O 3.13Å; K39-T294 WeakPolarHBondContact CA-O 3.34Å; K39-T294 VanDerWaalsContact CG-O 3.22Å; K39-T294 WeakPolarHBondContact CG-O 3.22Å; T268-T294 HydrophobicContact CG2-CG2 3.91Å; T268-T294 WeakPolarHBondContact OG1-CG2 3.27Å; Q273-T294 WeakPolarHBondContact CA-OG1 3.48Å; Q273-T294 WeakPolarHBondContact CB-OG1 3.35Å; V274-T294 PolarHBondContact N-OG1 3.16Å; V274-T294 PolarHBondContact O-N 3.26Å; V274-T294 PolarHBondContact O-OG1 2.91Å |
| 295 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 159.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S38 K39 V274 Y275 I276 A293 | S38-G295 VanDerWaalsContact O-CA 3.25Å; S38-G295 WeakPolarHBondContact O-CA 3.36Å; K39-G295 WeakPolarHBondContact O-CA 3.38Å; V274-G295 PolarHBondContact O-N 3.01Å; Y275-G295 WeakPolarHBondContact CA-O 3.44Å; I276-G295 PolarHBondContact N-O 3.1Å; I276-G295 VanDerWaalsContact N-O 3.16Å; A293-G295 VanDerWaalsContact C-N 3.34Å |
| 296 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 108.7 | K39 I41 L279 F285 A288 F289 L304 | K39-V296 PolarHBondContact O-N 3.07Å; I41-V296 WeakPolarHBondContact CB-O 3.42Å; I41-V296 PolarHBondContact N-O 3.34Å; L279-V296 HydrophobicContact CB-CG1 4.05Å; L279-V296 HydrophobicContact CD1-CG1 3.94Å; L279-V296 HydrophobicContact CD1-CG2 4.22Å; L279-V296 HydrophobicContact CG-CG1 4.33Å; F285-V296 HydrophobicContact CD1-CG1 3.62Å; F285-V296 HydrophobicContact CE1-CG1 3.79Å; A288-V296 HydrophobicContact CB-CG2 3.73Å; F289-V296 HydrophobicContact CD2-CG2 4.27Å; F289-V296 HydrophobicContact CE1-CG2 4.17Å; F289-V296 HydrophobicContact CE2-CB 4.44Å; F289-V296 HydrophobicContact CE2-CG2 3.75Å; F289-V296 HydrophobicContact CZ-CB 4.21Å; F289-V296 HydrophobicContact CZ-CG2 3.69Å; V296-L304 HydrophobicContact CB-CD1 4.12Å; V296-L304 HydrophobicContact CB-CD2 3.95Å; V296-L304 HydrophobicContact CG1-CD1 3.95Å; V296-L304 HydrophobicContact CG1-CD2 3.84Å |
| 297 | M | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.9 | 173 | 176.9 | -176.3 | -63.1 | 0 | 0 | 110 | I41 H43 E70 E227 I276 W277 V278 L279 | I41-M297 HydrophobicContact CB-CB 3.99Å; I41-M297 HydrophobicContact CB-CG 4.37Å; I41-M297 HydrophobicContact CG2-CB 4.13Å; I41-M297 HydrophobicContact CG2-CE 3.67Å; I41-M297 HydrophobicContact CG2-CG 4.06Å; I41-M297 WeakPolarHBondContact O-CA 3.36Å; H43-M297 HydrophobicContact CB-CG 3.67Å; H43-M297 HydrophobicContact CB-SD 4.04Å; E70-M297 HydrophobicContact CB-CE 3.63Å; E70-M297 HydrophobicContact CB-SD 4.18Å; E70-M297 HydrophobicContact CG-CE 3.7Å; E70-M297 HydrophobicContact CG-SD 4.14Å; E227-M297 WeakPolarHBondContact OE1-CE 3.25Å; I276-M297 PolarHBondContact O-N 2.69Å; W277-M297 HydrophobicContact CB-CB 3.79Å; W277-M297 HydrophobicContact CB-CG 4.08Å; W277-M297 HydrophobicContact CB-SD 3.74Å; W277-M297 HydrophobicContact CG-SD 4.48Å; V278-M297 WeakPolarHBondContact CA-O 3.34Å; V278-M297 HydrophobicContact CG2-SD 4.47Å; L279-M297 PolarHBondContact N-O 2.93Å |
| 298 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.8 | -172.3 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | I41 H43 L279 N280 F300 L304 | I41-T298 PolarHBondContact O-N 3.05Å; H43-T298 WeakPolarHBondContact CB-O 3.46Å; H43-T298 PolarHBondContact N-O 3.33Å; L279-T298 VanDerWaalsContact O-CA 3.25Å; L279-T298 WeakPolarHBondContact O-CA 3.48Å; L279-T298 WeakPolarHBondContact O-CB 3.23Å; L279-T298 PolarHBondContact O-OG1 2.92Å; N280-T298 PolarHBondContact OD1-OG1 3.42Å; T298-F300 VanDerWaalsContact C-N 3.28Å; T298-F300 WeakPolarHBondContact CG2-O 3.41Å; T298-F300 PolarHBondContact OG1-N 2.89Å; T298-L304 HydrophobicContact CG2-CB 3.74Å; T298-L304 HydrophobicContact CG2-CD2 3.71Å; T298-L304 HydrophobicContact CG2-CG 4.38Å |
| 299 | D | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -77 | -16.2 | 165 | -65 | -50.2 | 0 | 0 | 0 | 112 | H43 G46 A47 G48 V116 V278 N280 P301 | H43-D299 IonicContact CE1-OD1 3.76Å; H43-D299 IonicContact CG-OD1 3.97Å; H43-D299 IonicContact ND1-OD1 3.17Å; H43-D299 PolarHBondContact ND1-OD1 2.9Å; G46-D299 CarbonylContact C-O 3.56Å; G46-D299 VanDerWaalsContact CA-O 3.26Å; G46-D299 WeakPolarHBondContact CA-O 3.29Å; A47-D299 HydrophobicContact CB-CB 4.5Å; A47-D299 PolarHBondContact N-O 2.91Å; G48-D299 WeakPolarHBondContact CA-O 3.47Å; G48-D299 PolarHBondContact N-O 3.01Å; V116-D299 HydrophobicContact CG1-CB 3.96Å; V116-D299 WeakPolarHBondContact CG1-OD2 3.42Å; V278-D299 HydrophobicContact CG1-CB 4.44Å; N280-D299 PolarHBondContact ND2-OD2 3.29Å; N280-D299 VanDerWaalsContact OD1-CB 3.3Å; N280-D299 WeakPolarHBondContact OD1-CB 3.37Å; N280-D299 PolarHBondContact OD1-N 3.37Å; D299-P301 VanDerWaalsContact C-CD 3.49Å; D299-P301 VanDerWaalsContact O-CD 3.24Å; D299-P301 WeakPolarHBondContact O-CD 3.35Å |
| 300 | F | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | trans | -118.2 | 73.5 | -174.7 | -60.6 | -83.5 | 0 | 0 | 0 | 112 | G48 E49 Q119 N280 T298 T302 R303 L304 | G48-F300 WeakPolarHBondContact O-CE1 3.39Å; E49-F300 HydrophobicContact CG-CD1 4.05Å; E49-F300 WeakPolarHBondContact OE1-CA 3.41Å; Q119-F300 HydrophobicContact CB-CE2 4.39Å; Q119-F300 HydrophobicContact CG-CE2 4.38Å; Q119-F300 HydrophobicContact CG-CZ 4.44Å; N280-F300 HydrophobicContact CB-CD2 3.67Å; N280-F300 HydrophobicContact CB-CE2 3.76Å; N280-F300 WeakPolarHBondContact OD1-CD2 3.4Å; T298-F300 VanDerWaalsContact C-N 3.28Å; T298-F300 WeakPolarHBondContact CG2-O 3.41Å; T298-F300 PolarHBondContact OG1-N 2.89Å; F300-T302 VanDerWaalsContact C-N 3.31Å; F300-T302 PolarHBondContact O-N 3.42Å; F300-R303 HydrophobicContact CB-CB 3.86Å; F300-R303 PolarHBondContact O-N 2.73Å; F300-R303 VanDerWaalsContact O-N 3.16Å; F300-L304 PolarHBondContact O-N 2.78Å; F300-L304 VanDerWaalsContact O-N 3.09Å | ||
| 301 | P | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -34.7 | -175.8 | 23.2 | -33.7 | 0 | 0 | 0 | 113.8 | H40 S42 E49 L64 D299 L304 K305 | H40-P301 PolarHBondContact NE2-O 3.48Å; S42-P301 WeakPolarHBondContact OG-CB 3.44Å; E49-P301 WeakPolarHBondContact OE1-CD 3.38Å; L64-P301 HydrophobicContact CD1-CB 4.09Å; L64-P301 HydrophobicContact CD1-CG 4.16Å; D299-P301 VanDerWaalsContact C-CD 3.49Å; D299-P301 VanDerWaalsContact O-CD 3.24Å; D299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-L304 PolarHBondContact O-N 2.81Å; P301-K305 WeakPolarHBondContact O-CB 3.04Å; P301-K305 PolarHBondContact O-N 2.93Å |
| 302 | T | 98.2 | Very high | 97.6 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 23% | 0.233 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | E49 L64 F300 L304 K305 E306 | E49-T302 VanDerWaalsContact CD-OG1 3.31Å; E49-T302 WeakPolarHBondContact OE1-CA 3.32Å; E49-T302 WeakPolarHBondContact OE1-CB 2.97Å; E49-T302 PolarHBondContact OE1-N 3.26Å; E49-T302 PolarHBondContact OE1-OG1 2.8Å; E49-T302 WeakPolarHBondContact OE2-CB 3.33Å; E49-T302 PolarHBondContact OE2-N 2.76Å; E49-T302 PolarHBondContact OE2-OG1 3.42Å; L64-T302 VanDerWaalsContact CD1-OG1 3.29Å; L64-T302 WeakPolarHBondContact CD1-OG1 3.47Å; F300-T302 VanDerWaalsContact C-N 3.31Å; F300-T302 PolarHBondContact O-N 3.42Å; T302-L304 PolarHBondContact O-N 3.48Å; T302-K305 WeakPolarHBondContact O-CB 3.33Å; T302-K305 PolarHBondContact O-N 2.93Å; T302-E306 HydrophobicContact CG2-CG 4.46Å; T302-E306 WeakPolarHBondContact O-CG 3.42Å; T302-E306 PolarHBondContact O-N 3.14Å |
| 303 | R | 98.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | -179.8 | -171.6 | -177.3 | -65.2 | 161.6 | 3.4 | 112.2 | N280 E282 F285 F300 K305 E306 F307 | N280-R303 WeakPolarHBondContact O-CD 3.28Å; N280-R303 PolarHBondContact O-NH1 3.01Å; E282-R303 HydrophobicContact CG-CG 4.36Å; F285-R303 HydrophobicContact CE2-CG 4.1Å; F300-R303 HydrophobicContact CB-CB 3.86Å; F300-R303 PolarHBondContact O-N 2.73Å; F300-R303 VanDerWaalsContact O-N 3.16Å; R303-K305 VanDerWaalsContact C-N 3.3Å; R303-K305 PolarHBondContact O-N 2.98Å; R303-E306 PolarHBondContact O-N 3.15Å; R303-F307 WeakPolarHBondContact O-CB 3.24Å; R303-F307 PolarHBondContact O-N 2.86Å |
| 304 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 177.9 | 179.6 | 62.4 | 0 | 0 | 0 | 111.4 | H40 F285 F289 V296 T298 F300 P301 T302 F307 M308 | H40-L304 HydrophobicContact CB-CD2 4.47Å; F285-L304 HydrophobicContact CB-CD1 4.24Å; F285-L304 HydrophobicContact CD1-CD1 3.9Å; F285-L304 HydrophobicContact CD2-CD1 3.77Å; F285-L304 HydrophobicContact CE1-CD1 4.06Å; F285-L304 HydrophobicContact CE2-CB 3.95Å; F285-L304 HydrophobicContact CE2-CD1 4.01Å; F285-L304 HydrophobicContact CG-CD1 3.73Å; F285-L304 HydrophobicContact CZ-CB 3.95Å; F285-L304 HydrophobicContact CZ-CD1 4.15Å; F289-L304 HydrophobicContact CE2-CD1 4.21Å; V296-L304 HydrophobicContact CB-CD1 4.12Å; V296-L304 HydrophobicContact CB-CD2 3.95Å; V296-L304 HydrophobicContact CG1-CD1 3.95Å; V296-L304 HydrophobicContact CG1-CD2 3.84Å; T298-L304 HydrophobicContact CG2-CB 3.74Å; T298-L304 HydrophobicContact CG2-CD2 3.71Å; T298-L304 HydrophobicContact CG2-CG 4.38Å; F300-L304 PolarHBondContact O-N 2.78Å; F300-L304 VanDerWaalsContact O-N 3.09Å; P301-L304 PolarHBondContact O-N 2.81Å; T302-L304 PolarHBondContact O-N 3.48Å; L304-F307 HydrophobicContact CD1-CD1 4.46Å; L304-F307 PolarHBondContact O-N 3.38Å; L304-M308 HydrophobicContact CD1-CG 4.27Å; L304-M308 HydrophobicContact CD1-SD 4.28Å; L304-M308 HydrophobicContact CG-CG 4.47Å; L304-M308 HydrophobicContact CG-SD 4.02Å; L304-M308 WeakPolarHBondContact O-CB 3.24Å; L304-M308 VanDerWaalsContact O-CG 3.25Å; L304-M308 WeakPolarHBondContact O-CG 3.25Å; L304-M308 PolarHBondContact O-N 2.98Å |
| 305 | K | 97.8 | Very high | 94.8 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 30% | 0.3 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -52 | 175.6 | 168.8 | 165 | 175.6 | 43.9 | 0 | 111.5 | L64 P301 T302 R303 F307 M308 D309 | L64-K305 HydrophobicContact CB-CD 4.38Å; L64-K305 HydrophobicContact CD2-CD 4.49Å; L64-K305 WeakPolarHBondContact O-CD 3.25Å; L64-K305 WeakPolarHBondContact O-CE 3.49Å; P301-K305 WeakPolarHBondContact O-CB 3.04Å; P301-K305 PolarHBondContact O-N 2.93Å; T302-K305 WeakPolarHBondContact O-CB 3.33Å; T302-K305 PolarHBondContact O-N 2.93Å; R303-K305 VanDerWaalsContact C-N 3.3Å; R303-K305 PolarHBondContact O-N 2.98Å; K305-F307 VanDerWaalsContact C-N 3.28Å; K305-F307 PolarHBondContact O-N 3.49Å; K305-M308 PolarHBondContact O-N 3.25Å; K305-M308 VanDerWaalsContact O-N 3.14Å; K305-D309 IonicContact NZ-OD1 3.82Å; K305-D309 PolarHBondContact NZ-OD1 3.49Å; K305-D309 IonicContact NZ-OD2 2.83Å; K305-D309 PolarHBondContact NZ-OD2 3.45Å; K305-D309 PolarHBondContact O-N 3.12Å |
| 306 | E | 97.9 | Very high | 94.6 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 179.3 | -68.8 | 176.7 | 175.8 | 0 | 0 | 111.7 | T302 R303 D309 R310 | T302-E306 HydrophobicContact CG2-CG 4.46Å; T302-E306 WeakPolarHBondContact O-CG 3.42Å; T302-E306 PolarHBondContact O-N 3.14Å; R303-E306 PolarHBondContact O-N 3.15Å; E306-D309 PolarHBondContact O-N 2.89Å; E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 VanDerWaalsContact O-CG 3.31Å; E306-R310 WeakPolarHBondContact O-CG 3.19Å; E306-R310 PolarHBondContact O-N 2.98Å; E306-R310 IonicContact OE2-NH1 2.92Å |
| 307 | F | 98.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.1 | 172.4 | -88.9 | 0 | 0 | 0 | 111.8 | E282 F285 Q286 F289 R303 L304 K305 R310 N311 I313 | E282-F307 HydrophobicContact CB-CD2 3.86Å; E282-F307 HydrophobicContact CB-CE2 4.26Å; E282-F307 HydrophobicContact CG-CB 4.44Å; E282-F307 HydrophobicContact CG-CD2 3.94Å; F285-F307 HydrophobicContact CB-CD1 3.88Å; F285-F307 HydrophobicContact CB-CD2 4.46Å; F285-F307 HydrophobicContact CB-CE1 3.77Å; F285-F307 HydrophobicContact CB-CE2 4.35Å; F285-F307 HydrophobicContact CB-CG 4.24Å; F285-F307 HydrophobicContact CB-CZ 4.02Å; F285-F307 HydrophobicContact CD2-CB 4.14Å; F285-F307 HydrophobicContact CD2-CD1 4.26Å; F285-F307 HydrophobicContact CD2-CD2 4.47Å; F285-F307 HydrophobicContact CD2-CG 4.02Å; Q286-F307 HydrophobicContact CB-CE2 4.16Å; Q286-F307 HydrophobicContact CB-CZ 3.83Å; F289-F307 AromaticContact CD2-CE1 3.9Å; F289-F307 HydrophobicContact CD2-CE1 3.9Å; F289-F307 HydrophobicContact CE2-CD1 4.48Å; F289-F307 HydrophobicContact CE2-CE1 4.09Å; R303-F307 WeakPolarHBondContact O-CB 3.24Å; R303-F307 PolarHBondContact O-N 2.86Å; L304-F307 HydrophobicContact CD1-CD1 4.46Å; L304-F307 PolarHBondContact O-N 3.38Å; K305-F307 VanDerWaalsContact C-N 3.28Å; K305-F307 PolarHBondContact O-N 3.49Å; F307-R310 PolarHBondContact O-N 2.84Å; F307-N311 WeakPolarHBondContact CE2-ND2 3.32Å; F307-N311 WeakPolarHBondContact O-CB 3.4Å; F307-N311 PolarHBondContact O-N 3.17Å; F307-N311 VanDerWaalsContact O-N 3.12Å; F307-N311 PolarHBondContact O-ND2 3.27Å; F307-I313 HydrophobicContact CD1-CD1 4.43Å; F307-I313 HydrophobicContact CE1-CD1 3.79Å |
| 308 | M | 97.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 178.9 | -74.7 | 174.5 | 65.4 | 0 | 0 | 111.7 | K39 H40 F289 L304 K305 R310 N311 G312 I313 | K39-M308 HydrophobicContact CB-CE 3.68Å; K39-M308 HydrophobicContact CD-CE 4.47Å; H40-M308 HydrophobicContact CB-CE 4.37Å; H40-M308 HydrophobicContact CB-SD 3.93Å; F289-M308 HydrophobicContact CE2-CG 4.31Å; F289-M308 HydrophobicContact CZ-CG 4.36Å; F289-M308 HydrophobicContact CZ-SD 4.35Å; L304-M308 HydrophobicContact CD1-CG 4.27Å; L304-M308 HydrophobicContact CD1-SD 4.28Å; L304-M308 HydrophobicContact CG-CG 4.47Å; L304-M308 HydrophobicContact CG-SD 4.02Å; L304-M308 WeakPolarHBondContact O-CB 3.24Å; L304-M308 VanDerWaalsContact O-CG 3.25Å; L304-M308 WeakPolarHBondContact O-CG 3.25Å; L304-M308 PolarHBondContact O-N 2.98Å; K305-M308 PolarHBondContact O-N 3.25Å; K305-M308 VanDerWaalsContact O-N 3.14Å; M308-R310 PolarHBondContact O-N 3.15Å; M308-N311 PolarHBondContact O-N 3.25Å; M308-G312 PolarHBondContact O-N 3.3Å; M308-G312 VanDerWaalsContact O-N 3.1Å; M308-I313 HydrophobicContact CB-CB 4.01Å; M308-I313 HydrophobicContact CE-CB 4.48Å; M308-I313 HydrophobicContact CE-CG2 3.88Å; M308-I313 HydrophobicContact CG-CB 4.09Å; M308-I313 HydrophobicContact CG-CD1 4.45Å; M308-I313 HydrophobicContact CG-CG2 4.18Å; M308-I313 PolarHBondContact O-N 2.92Å |
| 309 | D | 96.5 | Very high | 93.9 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.9 | -69.9 | -20.1 | 0 | 0 | 0 | 111.1 | K305 E306 N311 G312 | K305-D309 IonicContact NZ-OD1 3.82Å; K305-D309 PolarHBondContact NZ-OD1 3.49Å; K305-D309 IonicContact NZ-OD2 2.83Å; K305-D309 PolarHBondContact NZ-OD2 3.45Å; K305-D309 PolarHBondContact O-N 3.12Å; E306-D309 PolarHBondContact O-N 2.89Å; D309-N311 VanDerWaalsContact C-N 3.32Å; D309-N311 PolarHBondContact O-N 3.44Å; D309-G312 PolarHBondContact O-N 3.43Å |
| 310 | R | 97.3 | Very high | 93.6 | Very high | 137 Ų | 137 | 59.9 Ų | 59.9 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 177.8 | -74.2 | -168.5 | -53.5 | -97.8 | 2.4 | 113.6 | E282 E306 F307 M308 | E282-R310 IonicContact OE1-CZ 3.85Å; E282-R310 IonicContact OE1-NH2 2.7Å; E282-R310 PolarHBondContact OE1-NH2 2.98Å; E282-R310 IonicContact OE2-CZ 3.49Å; E282-R310 IonicContact OE2-NH2 3.62Å; E282-R310 PolarHBondContact OE2-NH2 3.32Å; E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 VanDerWaalsContact O-CG 3.31Å; E306-R310 WeakPolarHBondContact O-CG 3.19Å; E306-R310 PolarHBondContact O-N 2.98Å; E306-R310 IonicContact OE2-NH1 2.92Å; F307-R310 PolarHBondContact O-N 2.84Å; M308-R310 PolarHBondContact O-N 3.15Å |
| 311 | N | 96.2 | Very high | 93.3 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.8 | -176.9 | -70.5 | -77.7 | 0 | 0 | 0 | 113.3 | F307 M308 D309 I313 | F307-N311 WeakPolarHBondContact CE2-ND2 3.32Å; F307-N311 WeakPolarHBondContact O-CB 3.4Å; F307-N311 PolarHBondContact O-N 3.17Å; F307-N311 VanDerWaalsContact O-N 3.12Å; F307-N311 PolarHBondContact O-ND2 3.27Å; M308-N311 PolarHBondContact O-N 3.25Å; D309-N311 VanDerWaalsContact C-N 3.32Å; D309-N311 PolarHBondContact O-N 3.44Å; N311-I313 HydrophobicContact CB-CD1 4.14Å; N311-I313 HydrophobicContact CB-CG1 4.05Å; N311-I313 PolarHBondContact O-N 3.02Å |
| 312 | G | 93.6 | Very high | 93 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 24.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M308 D309 S314 | M308-G312 PolarHBondContact O-N 3.3Å; M308-G312 VanDerWaalsContact O-N 3.1Å; D309-G312 PolarHBondContact O-N 3.43Å; G312-S314 PolarHBondContact O-N 3.13Å; G312-S314 VanDerWaalsContact O-N 3.12Å |
| 313 | I | 91.3 | Very high | 92.6 | Very high | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | trans | -82.5 | 89.5 | 176.3 | -54.4 | 175.8 | 0 | 0 | 0 | 107 | K39 F289 F307 M308 N311 | K39-I313 HydrophobicContact CD-CG2 4.45Å; F289-I313 HydrophobicContact CB-CD1 4.46Å; F289-I313 HydrophobicContact CD2-CD1 3.62Å; F289-I313 HydrophobicContact CE1-CG2 4.33Å; F289-I313 HydrophobicContact CE2-CD1 3.9Å; F289-I313 HydrophobicContact CG-CD1 3.98Å; F289-I313 HydrophobicContact CZ-CD1 4.49Å; F289-I313 HydrophobicContact CZ-CG2 4.38Å; F307-I313 HydrophobicContact CD1-CD1 4.43Å; F307-I313 HydrophobicContact CE1-CD1 3.79Å; M308-I313 HydrophobicContact CB-CB 4.01Å; M308-I313 HydrophobicContact CE-CB 4.48Å; M308-I313 HydrophobicContact CE-CG2 3.88Å; M308-I313 HydrophobicContact CG-CB 4.09Å; M308-I313 HydrophobicContact CG-CD1 4.45Å; M308-I313 HydrophobicContact CG-CG2 4.18Å; M308-I313 PolarHBondContact O-N 2.92Å; N311-I313 HydrophobicContact CB-CD1 4.14Å; N311-I313 HydrophobicContact CB-CG1 4.05Å; N311-I313 PolarHBondContact O-N 3.02Å | ||
| 314 | S | 77.9 | Confident | 92.2 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 57% | 0.573 | 36% | 0.363 | S | S | * | . | trans | -66.8 | 159.3 | 176.8 | 80.7 | 0 | 0 | 0 | 0 | 111 | K39 G312 | K39-S314 WeakPolarHBondContact CD-O 3.49Å; K39-S314 WeakPolarHBondContact CE-O 3.45Å; K39-S314 PolarHBondContact NZ-O 2.67Å; G312-S314 PolarHBondContact O-N 3.13Å; G312-S314 VanDerWaalsContact O-N 3.12Å | ||
| 315 | K | 63.3 | Low | 91.6 | Very high | 141 Ų | 141 | 74.7 Ų | 74.7 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | trans | -55.5 | 0 | 155.3 | -69.1 | -172.8 | 174.6 | -142.6 | 0 | 110.4 | K39 G65 D67 | K39-K315 WeakPolarHBondContact CE-OXT 3.39Å; K39-K315 VanDerWaalsContact NZ-C 3.3Å; K39-K315 PolarHBondContact NZ-OXT 2.91Å; G65-K315 WeakPolarHBondContact O-CE 3.22Å; G65-K315 PolarHBondContact O-NZ 2.96Å; D67-K315 WeakPolarHBondContact OD1-CD 3.37Å; D67-K315 WeakPolarHBondContact OD1-CE 3.44Å; D67-K315 IonicContact OD1-NZ 3.26Å; D67-K315 PolarHBondContact OD1-NZ 2.75Å |
Retrieved 315 of 315 residues in 97.4 ms
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