| 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 | W | 46.4 | Very low | 48.3 | Very low | 135 Ų | 135 | 66.6 Ų | 66.6 | 51% | 0.511 | 34% | 0.336 | S | S | . | . | 0 | 102.6 | 0 | -138.9 | 71.4 | 0 | 0 | 0 | 106.2 | F6 F9 W357 | W1-F6 HydrophobicContact CE3-CB 4.2Å; W1-F6 HydrophobicContact CH2-CD2 4.18Å; W1-F6 HydrophobicContact CZ3-CB 3.76Å; W1-F6 AromaticContact CZ3-CD2 3.62Å; W1-F6 HydrophobicContact CZ3-CD2 3.62Å; W1-F6 HydrophobicContact CZ3-CG 4.13Å; W1-F9 HydrophobicContact CH2-CB 4.24Å; W1-F9 HydrophobicContact CH2-CD1 4.08Å; W1-F9 HydrophobicContact CH2-CG 4.15Å; W1-W357 AromaticContact CE3-NE1 3.81Å; W1-W357 HydrophobicContact CZ3-CZ2 4.37Å; W1-W357 AromaticContact CZ3-NE1 3.55Å | |||
| 2 | N | 40.5 | Very low | 48.7 | Very low | 113 Ų | 113 | 70.6 Ų | 70.6 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | trans | -87.2 | 160.7 | -169.6 | -73 | -11.2 | 0 | 0 | 0 | 110.1 | I4 T5 F6 | N2-I4 PolarHBondContact O-N 3.11Å; N2-T5 WeakPolarHBondContact CA-OG1 3.4Å; N2-T5 PolarHBondContact N-OG1 3.33Å; N2-T5 WeakPolarHBondContact O-CA 3.42Å; N2-T5 VanDerWaalsContact O-CB 3.28Å; N2-T5 WeakPolarHBondContact O-CB 3.35Å; N2-T5 PolarHBondContact O-N 3.33Å; N2-T5 PolarHBondContact O-OG1 3.31Å; N2-F6 PolarHBondContact O-N 2.95Å | ||
| 3 | A | 42.7 | Very low | 49.1 | Very low | 6 Ų | 6 | 68.5 Ų | 68.5 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.2 | -15.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | T5 A7 Y247 M251 | A3-T5 VanDerWaalsContact C-N 3.33Å; A3-A7 WeakPolarHBondContact O-CB 3.18Å; A3-A7 PolarHBondContact O-N 2.99Å; A3-Y247 HydrophobicContact CB-CE1 3.61Å; A3-Y247 WeakPolarHBondContact CB-OH 3.31Å; A3-M251 HydrophobicContact CB-CE 3.01Å |
| 4 | I | 43.2 | Very low | 48.9 | Very low | 114 Ų | 114 | 70.6 Ų | 70.6 | 59% | 0.585 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67 | -36.4 | 162.4 | -65.8 | 162.5 | 0 | 0 | 0 | 110.5 | N2 N8 | N2-I4 PolarHBondContact O-N 3.11Å; I4-N8 WeakPolarHBondContact O-CA 3.43Å; I4-N8 WeakPolarHBondContact O-CB 3.49Å; I4-N8 PolarHBondContact O-N 3.36Å; I4-N8 PolarHBondContact O-ND2 3.38Å; I4-N8 PolarHBondContact O-OD1 3.08Å |
| 5 | T | 53.5 | Low | 48.5 | Very low | 65 Ų | 65 | 70.1 Ų | 70.1 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 176.5 | -5.4 | 0 | 0 | 0 | 0 | 111.5 | N2 A3 F9 | N2-T5 WeakPolarHBondContact CA-OG1 3.4Å; N2-T5 PolarHBondContact N-OG1 3.33Å; N2-T5 WeakPolarHBondContact O-CA 3.42Å; N2-T5 VanDerWaalsContact O-CB 3.28Å; N2-T5 WeakPolarHBondContact O-CB 3.35Å; N2-T5 PolarHBondContact O-N 3.33Å; N2-T5 PolarHBondContact O-OG1 3.31Å; A3-T5 VanDerWaalsContact C-N 3.33Å; T5-F9 WeakPolarHBondContact O-CB 3.36Å; T5-F9 PolarHBondContact O-N 3.27Å |
| 6 | F | 49.6 | Very low | 48.7 | Very low | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 171.9 | -178.3 | -119 | 0 | 0 | 0 | 112.6 | W1 N2 F9 L10 F263 W357 | W1-F6 HydrophobicContact CE3-CB 4.2Å; W1-F6 HydrophobicContact CH2-CD2 4.18Å; W1-F6 HydrophobicContact CZ3-CB 3.76Å; W1-F6 AromaticContact CZ3-CD2 3.62Å; W1-F6 HydrophobicContact CZ3-CD2 3.62Å; W1-F6 HydrophobicContact CZ3-CG 4.13Å; N2-F6 PolarHBondContact O-N 2.95Å; F6-F9 PolarHBondContact O-N 3.48Å; F6-L10 HydrophobicContact CD1-CD1 3.79Å; F6-L10 HydrophobicContact CD2-CD1 4.43Å; F6-L10 HydrophobicContact CD2-CG 4.34Å; F6-L10 HydrophobicContact CE1-CD1 3.35Å; F6-L10 HydrophobicContact CE1-CG 4.23Å; F6-L10 HydrophobicContact CE2-CD1 4.09Å; F6-L10 HydrophobicContact CE2-CD2 4.46Å; F6-L10 HydrophobicContact CE2-CG 4.08Å; F6-L10 HydrophobicContact CG-CD1 4.34Å; F6-L10 HydrophobicContact CZ-CD1 3.54Å; F6-L10 HydrophobicContact CZ-CD2 4.37Å; F6-L10 HydrophobicContact CZ-CG 4.02Å; F6-L10 WeakPolarHBondContact O-CB 3.01Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.09Å; F6-F263 HydrophobicContact CB-CE1 4.22Å; F6-F263 AromaticContact CD1-CD1 3.7Å; F6-F263 HydrophobicContact CD1-CD1 3.7Å; F6-F263 AromaticContact CD1-CE1 3.62Å; F6-F263 HydrophobicContact CD1-CE1 3.62Å; F6-F263 HydrophobicContact CD2-CD1 4.32Å; F6-F263 HydrophobicContact CD2-CE1 4.42Å; F6-F263 AromaticContact CE1-CD1 3.54Å; F6-F263 HydrophobicContact CE1-CD1 3.54Å; F6-F263 AromaticContact CE1-CE1 3.97Å; F6-F263 HydrophobicContact CE1-CE1 3.97Å; F6-F263 HydrophobicContact CE2-CD1 4.16Å; F6-F263 HydrophobicContact CG-CD1 4.06Å; F6-F263 AromaticContact CG-CE1 3.84Å; F6-F263 HydrophobicContact CG-CE1 3.84Å; F6-F263 AromaticContact CZ-CD1 3.77Å; F6-F263 HydrophobicContact CZ-CD1 3.77Å; F6-F263 HydrophobicContact CZ-CE1 4.49Å; F6-W357 HydrophobicContact CD2-CZ2 4.14Å; F6-W357 AromaticContact CE2-CH2 3.77Å; F6-W357 HydrophobicContact CE2-CH2 3.77Å; F6-W357 AromaticContact CE2-CZ2 3.74Å; F6-W357 HydrophobicContact CE2-CZ2 3.74Å; F6-W357 HydrophobicContact CZ-CH2 4.43Å |
| 7 | A | 45.3 | Very low | 48.4 | Very low | 13 Ų | 13 | 70.1 Ų | 70.1 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A3 F9 L10 L11 L248 | A3-A7 WeakPolarHBondContact O-CB 3.18Å; A3-A7 PolarHBondContact O-N 2.99Å; A7-F9 VanDerWaalsContact C-N 3.35Å; A7-L10 CarbonylContact O-C 3.14Å; A7-L10 PolarHBondContact O-N 2.97Å; A7-L11 VanDerWaalsContact O-CB 3.23Å; A7-L11 WeakPolarHBondContact O-CB 3.25Å; A7-L11 PolarHBondContact O-N 2.85Å; A7-L248 HydrophobicContact CB-CD2 3.76Å |
| 8 | N | 49.8 | Very low | 48 | Very low | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.5 | -35 | 174 | -72.5 | -10.1 | 0 | 0 | 0 | 111.6 | I4 L12 | I4-N8 WeakPolarHBondContact O-CA 3.43Å; I4-N8 WeakPolarHBondContact O-CB 3.49Å; I4-N8 PolarHBondContact O-N 3.36Å; I4-N8 PolarHBondContact O-ND2 3.38Å; I4-N8 PolarHBondContact O-OD1 3.08Å; N8-L12 WeakPolarHBondContact O-CB 3.41Å; N8-L12 WeakPolarHBondContact O-CD1 3.31Å; N8-L12 WeakPolarHBondContact O-CG 3.17Å; N8-L12 PolarHBondContact O-N 3.01Å |
| 9 | F | 61.5 | Low | 47.6 | Very low | 75 Ų | 75 | 72.1 Ų | 72.1 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 172.8 | 177.6 | -106.5 | 0 | 0 | 0 | 111.5 | W1 T5 F6 A7 L12 L13 F317 | W1-F9 HydrophobicContact CH2-CB 4.24Å; W1-F9 HydrophobicContact CH2-CD1 4.08Å; W1-F9 HydrophobicContact CH2-CG 4.15Å; T5-F9 WeakPolarHBondContact O-CB 3.36Å; T5-F9 PolarHBondContact O-N 3.27Å; F6-F9 PolarHBondContact O-N 3.48Å; A7-F9 VanDerWaalsContact C-N 3.35Å; F9-L12 PolarHBondContact O-N 3.04Å; F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CD2-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 3.27Å; F9-L13 HydrophobicContact CE2-CD1 3.93Å; F9-L13 HydrophobicContact CG-CD1 4.2Å; F9-L13 HydrophobicContact CZ-CD1 3.41Å; F9-L13 VanDerWaalsContact CZ-CD1 3.41Å; F9-L13 HydrophobicContact CZ-CG 4.48Å; F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.08Å; F9-F317 HydrophobicContact CE1-CZ 4.43Å |
| 10 | L | 49.2 | Very low | 47.2 | Very low | 21 Ų | 21 | 71.2 Ų | 71.2 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 173 | -78.5 | 173.8 | 0 | 0 | 0 | 111.4 | F6 A7 L13 F14 V244 M270 | F6-L10 HydrophobicContact CD1-CD1 3.79Å; F6-L10 HydrophobicContact CD2-CD1 4.43Å; F6-L10 HydrophobicContact CD2-CG 4.34Å; F6-L10 HydrophobicContact CE1-CD1 3.35Å; F6-L10 HydrophobicContact CE1-CG 4.23Å; F6-L10 HydrophobicContact CE2-CD1 4.09Å; F6-L10 HydrophobicContact CE2-CD2 4.46Å; F6-L10 HydrophobicContact CE2-CG 4.08Å; F6-L10 HydrophobicContact CG-CD1 4.34Å; F6-L10 HydrophobicContact CZ-CD1 3.54Å; F6-L10 HydrophobicContact CZ-CD2 4.37Å; F6-L10 HydrophobicContact CZ-CG 4.02Å; F6-L10 WeakPolarHBondContact O-CB 3.01Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.09Å; A7-L10 CarbonylContact O-C 3.14Å; A7-L10 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 3.5Å; L10-F14 VanDerWaalsContact O-CB 3.26Å; L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 2.89Å; L10-V244 HydrophobicContact CD1-CG1 4.45Å; L10-M270 HydrophobicContact CD2-CG 4.05Å; L10-M270 HydrophobicContact CD2-SD 4.23Å |
| 11 | L | 50.1 | Low | 46.8 | Very low | 101 Ų | 101 | 73.4 Ų | 73.4 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 175.5 | -106.8 | 130.7 | 0 | 0 | 0 | 111.5 | A7 F14 C15 | A7-L11 VanDerWaalsContact O-CB 3.23Å; A7-L11 WeakPolarHBondContact O-CB 3.25Å; A7-L11 PolarHBondContact O-N 2.85Å; L11-F14 PolarHBondContact O-N 2.67Å; L11-C15 WeakPolarHBondContact O-CA 3.26Å; L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.38Å; L11-C15 PolarHBondContact O-SG 3.31Å |
| 12 | L | 52.7 | Low | 46 | Very low | 114 Ų | 114 | 73.4 Ų | 73.4 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 172.7 | -96.9 | 150.5 | 0 | 0 | 0 | 110.3 | N8 F9 C15 V16 | N8-L12 WeakPolarHBondContact O-CB 3.41Å; N8-L12 WeakPolarHBondContact O-CD1 3.31Å; N8-L12 WeakPolarHBondContact O-CG 3.17Å; N8-L12 PolarHBondContact O-N 3.01Å; F9-L12 PolarHBondContact O-N 3.04Å; L12-C15 PolarHBondContact O-N 3.34Å; L12-V16 VanDerWaalsContact O-CB 3.29Å; L12-V16 WeakPolarHBondContact O-CB 3.14Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.38Å |
| 13 | L | 53.6 | Low | 45.7 | Very low | 44 Ų | 44 | 71.6 Ų | 71.6 | 23% | 0.23 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174 | -88.5 | 154.5 | 0 | 0 | 0 | 112.1 | F9 L10 V16 C17 M270 F317 | F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CD2-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 3.27Å; F9-L13 HydrophobicContact CE2-CD1 3.93Å; F9-L13 HydrophobicContact CG-CD1 4.2Å; F9-L13 HydrophobicContact CZ-CD1 3.41Å; F9-L13 VanDerWaalsContact CZ-CD1 3.41Å; F9-L13 HydrophobicContact CZ-CG 4.48Å; F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.5Å; L13-V16 PolarHBondContact O-N 3.07Å; L13-C17 VanDerWaalsContact O-CB 3.32Å; L13-C17 WeakPolarHBondContact O-CB 3.26Å; L13-C17 PolarHBondContact O-N 2.92Å; L13-C17 PolarHBondContact O-SG 3.29Å; L13-M270 HydrophobicContact CB-CE 3.87Å; L13-M270 HydrophobicContact CD1-CE 4.4Å; L13-M270 HydrophobicContact CD2-CE 4.1Å; L13-M270 HydrophobicContact CG-CE 4.37Å; L13-F317 HydrophobicContact CD1-CE2 4.49Å; L13-F317 HydrophobicContact CD1-CZ 3.81Å |
| 14 | F | 46.8 | Very low | 45.3 | Very low | 97 Ų | 97 | 80.4 Ų | 80.4 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.2 | -136.5 | -84.6 | 0 | 0 | 0 | 111.3 | L10 L11 A18 I273 | L10-F14 VanDerWaalsContact O-CB 3.26Å; L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 2.89Å; L11-F14 PolarHBondContact O-N 2.67Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.43Å; F14-I273 HydrophobicContact CD2-CD1 4.1Å; F14-I273 HydrophobicContact CE2-CD1 3.36Å; F14-I273 HydrophobicContact CZ-CD1 3.92Å |
| 15 | C | 43.4 | Very low | 44.8 | Very low | 63 Ų | 63 | 84.6 Ų | 84.6 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 173.7 | -85.7 | 0 | 0 | 0 | 0 | 111.2 | L11 L12 A18 L19 | L11-C15 WeakPolarHBondContact O-CA 3.26Å; L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.38Å; L11-C15 PolarHBondContact O-SG 3.31Å; L12-C15 PolarHBondContact O-N 3.34Å; C15-A18 PolarHBondContact O-N 2.98Å; C15-L19 HydrophobicContact CB-CD1 4.49Å; C15-L19 WeakPolarHBondContact O-CA 3.32Å; C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 WeakPolarHBondContact O-CD1 3.43Å; C15-L19 WeakPolarHBondContact O-CG 3.31Å; C15-L19 PolarHBondContact O-N 2.73Å |
| 16 | V | 51.1 | Low | 43.7 | Very low | 95 Ų | 95 | 84.3 Ų | 84.3 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 174.4 | 168 | 0 | 0 | 0 | 0 | 110.2 | L12 L13 G20 | L12-V16 VanDerWaalsContact O-CB 3.29Å; L12-V16 WeakPolarHBondContact O-CB 3.14Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.38Å; L13-V16 PolarHBondContact O-N 3.07Å; V16-G20 PolarHBondContact O-N 3.13Å |
| 17 | C | 42.7 | Very low | 43 | Very low | 45 Ų | 45 | 90.7 Ų | 90.7 | 30% | 0.304 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 172.6 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | L13 G20 V21 | L13-C17 VanDerWaalsContact O-CB 3.32Å; L13-C17 WeakPolarHBondContact O-CB 3.26Å; L13-C17 PolarHBondContact O-N 2.92Å; L13-C17 PolarHBondContact O-SG 3.29Å; C17-G20 CarbonylContact O-C 3.48Å; C17-G20 WeakPolarHBondContact O-CA 3.2Å; C17-G20 PolarHBondContact O-N 3.35Å; C17-G20 VanDerWaalsContact O-N 3.15Å; C17-V21 WeakPolarHBondContact O-CG2 3.29Å; C17-V21 PolarHBondContact O-N 3.29Å; C17-V21 VanDerWaalsContact O-N 3.16Å |
| 18 | A | 41.8 | Very low | 42.4 | Very low | 51 Ų | 51 | 101.3 Ų | 101.3 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.1 | -34.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F14 C15 G20 V21 | F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.43Å; C15-A18 PolarHBondContact O-N 2.98Å; A18-G20 VanDerWaalsContact C-N 3.29Å; A18-V21 PolarHBondContact O-N 2.99Å |
| 19 | L | 40.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 99.9 Ų | 99.9 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.2 | -29 | 170.5 | -71 | 164.8 | 0 | 0 | 0 | 110.9 | C15 V21 N22 | C15-L19 HydrophobicContact CB-CD1 4.49Å; C15-L19 WeakPolarHBondContact O-CA 3.32Å; C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 WeakPolarHBondContact O-CD1 3.43Å; C15-L19 WeakPolarHBondContact O-CG 3.31Å; C15-L19 PolarHBondContact O-N 2.73Å; L19-V21 VanDerWaalsContact C-N 3.29Å; L19-V21 PolarHBondContact O-N 3.42Å; L19-N22 PolarHBondContact O-N 2.99Å |
| 20 | G | 39.9 | Very low | 39.8 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.5 | -19 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V16 C17 A18 | V16-G20 PolarHBondContact O-N 3.13Å; C17-G20 CarbonylContact O-C 3.48Å; C17-G20 WeakPolarHBondContact O-CA 3.2Å; C17-G20 PolarHBondContact O-N 3.35Å; C17-G20 VanDerWaalsContact O-N 3.15Å; A18-G20 VanDerWaalsContact C-N 3.29Å |
| 21 | V | 38 | Very low | 39 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.5 | -16.3 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | C17 A18 L19 | C17-V21 WeakPolarHBondContact O-CG2 3.29Å; C17-V21 PolarHBondContact O-N 3.29Å; C17-V21 VanDerWaalsContact O-N 3.16Å; A18-V21 PolarHBondContact O-N 2.99Å; L19-V21 VanDerWaalsContact C-N 3.29Å; L19-V21 PolarHBondContact O-N 3.42Å |
| 22 | N | 30.4 | Very low | 38.6 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -99.7 | 15.4 | 177.8 | -91.5 | -12.5 | 0 | 0 | 0 | 114.2 | L19 Q24 | L19-N22 PolarHBondContact O-N 2.99Å; N22-Q24 VanDerWaalsContact C-N 3.26Å; N22-Q24 PolarHBondContact O-N 3.25Å | ||
| 23 | A | 34.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 109.4 Ų | 109.4 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | trans | -66.5 | 95.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y25 | A23-Y25 PolarHBondContact O-N 3.45Š| ||
| 24 | Q | 33.7 | Very low | 37.2 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | trans | -40.9 | 115.5 | 163 | -83.4 | 175.1 | -58.6 | 0 | 0 | 107.8 | N22 G26 | N22-Q24 VanDerWaalsContact C-N 3.26Å; N22-Q24 PolarHBondContact O-N 3.25Å; Q24-G26 PolarHBondContact O-N 3.44Å | ||
| 25 | Y | 33 | Very low | 37.4 | Very low | 203 Ų | 203 | 117 Ų | 117 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | trans | -64.3 | 75.6 | 163.7 | -169.2 | -91.8 | 0 | 0 | 0 | 107 | A23 | A23-Y25 PolarHBondContact O-N 3.45Š| ||
| 26 | G | 30.8 | Very low | 38 | Very low | 58 Ų | 58 | 117.7 Ų | 117.7 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | trans | -76.9 | 113.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | Q24 R28 | Q24-G26 PolarHBondContact O-N 3.44Å; G26-R28 PolarHBondContact O-N 2.87Å | ||
| 27 | D | 33.8 | Very low | 38.8 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -57 | 83.7 | 167.5 | -165.6 | 16.8 | 0 | 0 | 0 | 108.7 | ||||
| 28 | R | 32.2 | Very low | 40.8 | Very low | 236 Ų | 236 | 119.2 Ų | 119.2 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | trans | -109.2 | 85.7 | 159.9 | -84.8 | -175.4 | 174 | -179.1 | -2.3 | 104.9 | G26 M30 | G26-R28 PolarHBondContact O-N 2.87Å; R28-M30 PolarHBondContact O-N 2.87Å | ||
| 29 | G | 30.9 | Very low | 43 | Very low | 54 Ų | 54 | 119.9 Ų | 119.9 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | trans | -43.3 | 137.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S31 | G29-S31 PolarHBondContact O-N 3.43Š| ||
| 30 | M | 27.6 | Very low | 45.5 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 91% | 0.906 | 67% | 0.667 | S | S | * | * | trans | -55.6 | 96.8 | 168.9 | -75 | 166.5 | 41.6 | 0 | 0 | 107.3 | R28 I32 | R28-M30 PolarHBondContact O-N 2.87Å; M30-I32 VanDerWaalsContact C-N 3.27Å; M30-I32 PolarHBondContact O-N 3.49Å | ||
| 31 | S | 32.2 | Very low | 48 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | trans | -63.5 | 103 | 156.5 | 51.6 | 0 | 0 | 0 | 0 | 104.5 | G29 | G29-S31 PolarHBondContact O-N 3.43Š| ||
| 32 | I | 40.6 | Very low | 50.6 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 65% | 0.646 | 64% | 0.635 | S | S | * | * | trans | -37.8 | 134.4 | 152 | -58.7 | 171.5 | 0 | 0 | 0 | 106 | M30 E34 | M30-I32 VanDerWaalsContact C-N 3.27Å; M30-I32 PolarHBondContact O-N 3.49Å; I32-E34 PolarHBondContact O-N 2.73Å | ||
| 33 | P | 35.1 | Very low | 53.7 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -51.5 | 114.2 | 176.7 | -18.5 | 29.1 | 0 | 0 | 0 | 107.6 | H35 | P33-H35 PolarHBondContact O-N 3.35Š| ||
| 34 | E | 42.8 | Very low | 56.4 | Low | 194 Ų | 194 | 109.4 Ų | 109.4 | 91% | 0.907 | 60% | 0.603 | S | S | * | * | trans | -65.1 | 87 | 169.5 | -91.3 | -173.7 | 159.9 | 0 | 0 | 106 | I32 G36 | I32-E34 PolarHBondContact O-N 2.73Å; E34-G36 VanDerWaalsContact C-N 3.31Å; E34-G36 PolarHBondContact O-N 3.44Å; E34-G36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | H | 50.4 | Low | 59.1 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | trans | -67.2 | 103 | 155.3 | -65.9 | -70.8 | 0 | 0 | 0 | 104.6 | P33 F37 | P33-H35 PolarHBondContact O-N 3.35Å; H35-F37 HydrophobicContact CB-CD2 3.76Å; H35-F37 HydrophobicContact CB-CE2 4.08Å; H35-F37 PolarHBondContact O-N 2.82Å | ||
| 36 | G | 56.7 | Low | 62 | Low | 77 Ų | 77 | 91.1 Ų | 91.1 | 79% | 0.794 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 45.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E34 | E34-G36 VanDerWaalsContact C-N 3.31Å; E34-G36 PolarHBondContact O-N 3.44Å; E34-G36 VanDerWaalsContact O-N 3.1Å |
| 37 | F | 66.6 | Low | 64.7 | Low | 113 Ų | 113 | 91 Ų | 91 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -14.8 | 178 | -55.6 | -66.1 | 0 | 0 | 0 | 112.9 | H35 I55 | H35-F37 HydrophobicContact CB-CD2 3.76Å; H35-F37 HydrophobicContact CB-CE2 4.08Å; H35-F37 PolarHBondContact O-N 2.82Å; F37-I55 HydrophobicContact CB-CD1 4.25Å; F37-I55 HydrophobicContact CB-CG1 4.22Å |
| 38 | C | 84.8 | Confident | 67.1 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.4 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | T54 C99 | C38-T54 WeakPolarHBondContact CA-O 3.41Å; C38-C99 WeakPolarHBondContact CA-SG 3.39Å; C38-C99 HydrophobicContact CB-CB 3.84Å; C38-C99 WeakPolarHBondContact CB-SG 3.4Å; C38-C99 WeakPolarHBondContact SG-CB 3.38Å; C38-C99 CovalentContact SG-SG 2.02Å; C38-C99 PolarHBondContact SG-SG 3.49Å |
| 39 | Q | 88.9 | Confident | 69.7 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.5 | 171.7 | 52.5 | 174.8 | 3.7 | 0 | 0 | 110.9 | E53 T54 Q65 | Q39-E53 WeakPolarHBondContact O-CA 3.28Å; Q39-T54 HydrophobicContact CG-CG2 4.04Å; Q39-T54 PolarHBondContact N-O 3.13Å; Q39-T54 PolarHBondContact O-N 3.3Å; Q39-Q65 VanDerWaalsContact CD-NE2 3.26Å |
| 40 | P | 91.4 | Very high | 72.1 | Confident | 94 Ų | 94 | 83 Ų | 83 | 61% | 0.61 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 143.1 | 178.2 | 26.3 | -34.6 | 0 | 0 | 0 | 110.7 | S42 Q65 | P40-S42 PolarHBondContact O-N 2.92Å; P40-Q65 PolarHBondContact O-NE2 2.94Å |
| 41 | I | 93.9 | Very high | 74.9 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.128 | 45% | 0.449 | C | S | . | . | trans | -68.8 | 118.5 | -179.4 | -63.1 | 170.4 | 0 | 0 | 0 | 109.8 | I43 C46 I49 Y51 N52 T54 Q65 | I41-I43 HydrophobicContact CG2-CB 4.45Å; I41-C46 HydrophobicContact CG2-CB 3.99Å; I41-I49 HydrophobicContact CD1-CD1 4.12Å; I41-I49 HydrophobicContact CD1-CG1 4.49Å; I41-Y51 HydrophobicContact CD1-CD2 3.67Å; I41-Y51 HydrophobicContact CD1-CE2 3.63Å; I41-Y51 WeakPolarHBondContact CD1-O 3.47Å; I41-N52 PolarHBondContact N-O 2.72Å; I41-T54 HydrophobicContact CG1-CG2 4.1Å; I41-Q65 VanDerWaalsContact CA-OE1 3.26Å | ||
| 42 | S | 92.9 | Very high | 77.6 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | trans | -105.7 | -11.4 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 113 | P40 P44 Q65 | P40-S42 PolarHBondContact O-N 2.92Å; S42-P44 VanDerWaalsContact O-CD 3.25Å; S42-P44 WeakPolarHBondContact O-CD 3.35Å; S42-Q65 PolarHBondContact OG-OE1 3.21Å | ||
| 43 | I | 94.7 | Very high | 80 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | trans | -69.7 | 115.4 | -179 | -58.6 | -178.9 | 0 | 0 | 0 | 110.2 | I41 L45 C46 T47 Q65 A68 V72 A96 | I41-I43 HydrophobicContact CG2-CB 4.45Å; I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 HydrophobicContact CG2-CB 4.35Å; I43-L45 PolarHBondContact O-N 3.3Å; I43-L45 VanDerWaalsContact O-N 3.13Å; I43-C46 HydrophobicContact CB-CB 4.25Å; I43-C46 HydrophobicContact CG2-CB 4.33Å; I43-C46 CarbonylContact O-C 3.5Å; I43-C46 WeakPolarHBondContact O-CA 3.33Å; I43-C46 PolarHBondContact O-N 2.91Å; I43-T47 PolarHBondContact O-N 2.91Å; I43-Q65 HydrophobicContact CD1-CB 4.31Å; I43-Q65 HydrophobicContact CD1-CG 4.3Å; I43-Q65 HydrophobicContact CG1-CB 4Å; I43-Q65 HydrophobicContact CG1-CG 4.26Å; I43-Q65 WeakPolarHBondContact CG1-O 3.29Å; I43-A68 HydrophobicContact CD1-CB 3.96Å; I43-V72 HydrophobicContact CG2-CG1 3.78Å; I43-A96 HydrophobicContact CD1-CB 4.18Å | ||
| 44 | P | 91.3 | Very high | 82.8 | Confident | 101 Ų | 101 | 71 Ų | 71 | 66% | 0.656 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.3 | -174 | -26.9 | 36.1 | 0 | 0 | 0 | 115.2 | S42 C46 T47 | S42-P44 VanDerWaalsContact O-CD 3.25Å; S42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-C46 VanDerWaalsContact C-N 3.28Å; P44-T47 PolarHBondContact O-OG1 3.2Å |
| 45 | L | 91.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.2 | 175.4 | -175.8 | 68.6 | 0 | 0 | 0 | 112.1 | I43 V72 Y76 V79 K88 | I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 HydrophobicContact CG2-CB 4.35Å; I43-L45 PolarHBondContact O-N 3.3Å; I43-L45 VanDerWaalsContact O-N 3.13Å; L45-V72 HydrophobicContact CB-CG1 4.47Å; L45-V72 HydrophobicContact CD2-CB 4.34Å; L45-V72 HydrophobicContact CD2-CG1 4.02Å; L45-V72 HydrophobicContact CD2-CG2 3.65Å; L45-Y76 HydrophobicContact CD1-CD2 3.76Å; L45-Y76 HydrophobicContact CD1-CE2 4.33Å; L45-V79 HydrophobicContact CD1-CB 4.16Å; L45-V79 HydrophobicContact CD1-CG1 4.05Å; L45-V79 HydrophobicContact CD1-CG2 4.14Å; L45-K88 WeakPolarHBondContact O-CE 3.31Å |
| 46 | C | 93.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -106.2 | 10.3 | -173.4 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | I41 I43 P44 I49 C92 A96 | I41-C46 HydrophobicContact CG2-CB 3.99Å; I43-C46 HydrophobicContact CB-CB 4.25Å; I43-C46 HydrophobicContact CG2-CB 4.33Å; I43-C46 CarbonylContact O-C 3.5Å; I43-C46 WeakPolarHBondContact O-CA 3.33Å; I43-C46 PolarHBondContact O-N 2.91Å; P44-C46 VanDerWaalsContact C-N 3.28Å; C46-I49 HydrophobicContact CB-CD1 4.21Å; C46-I49 WeakPolarHBondContact O-CD1 3.41Å; C46-I49 WeakPolarHBondContact O-CG1 3.3Å; C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.81Å; C46-C92 WeakPolarHBondContact CB-SG 3.32Å; C46-C92 WeakPolarHBondContact SG-CA 3.5Å; C46-C92 WeakPolarHBondContact SG-CB 3.36Å; C46-C92 CovalentContact SG-SG 2.04Å; C46-C92 PolarHBondContact SG-SG 3.29Å; C46-A96 HydrophobicContact CB-CB 4.37Å |
| 47 | T | 88.3 | Confident | 88.5 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -70.9 | 152.2 | 163 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | I43 P44 K88 | I43-T47 PolarHBondContact O-N 2.91Å; P44-T47 PolarHBondContact O-OG1 3.2Å; T47-K88 PolarHBondContact O-NZ 2.98Å |
| 48 | D | 83.3 | Confident | 89.8 | Confident | 145 Ų | 145 | 53.1 Ų | 53.1 | 78% | 0.775 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 60.4 | 49.5 | 178.3 | -43.1 | -56.9 | 0 | 0 | 0 | 113 | K88 | D48-K88 PolarHBondContact O-NZ 3.36Š|
| 49 | I | 86.1 | Confident | 90.1 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 14% | 0.138 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -115.4 | -177.1 | 168.7 | 66.7 | -179.4 | 0 | 0 | 0 | 109.6 | I41 C46 Y51 K88 C92 | I41-I49 HydrophobicContact CD1-CD1 4.12Å; I41-I49 HydrophobicContact CD1-CG1 4.49Å; C46-I49 HydrophobicContact CB-CD1 4.21Å; C46-I49 WeakPolarHBondContact O-CD1 3.41Å; C46-I49 WeakPolarHBondContact O-CG1 3.3Å; I49-Y51 HydrophobicContact CD1-CD1 4.32Å; I49-Y51 HydrophobicContact CD1-CD2 4.29Å; I49-Y51 HydrophobicContact CD1-CE1 3.78Å; I49-Y51 HydrophobicContact CD1-CE2 3.75Å; I49-Y51 VanDerWaalsContact CD1-CZ 3.46Å; I49-Y51 HydrophobicContact CG1-CD1 4.42Å; I49-Y51 HydrophobicContact CG1-CE1 4.32Å; I49-Y51 WeakPolarHBondContact CG1-O 3.18Å; I49-Y51 PolarHBondContact O-N 2.95Å; I49-K88 HydrophobicContact CG2-CD 4.36Å; I49-C92 HydrophobicContact CD1-CB 3.55Å |
| 50 | A | 81.5 | Confident | 90.2 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 76% | 0.76 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -66.2 | -6.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | F89 | A50-F89 HydrophobicContact CB-CE2 4.18Š|
| 51 | Y | 86.6 | Confident | 90 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | trans | -147.9 | 156.5 | -179.2 | 58.2 | -90.4 | 0 | 0 | 0 | 110.6 | I41 I49 E53 F89 C92 A96 V98 | I41-Y51 HydrophobicContact CD1-CD2 3.67Å; I41-Y51 HydrophobicContact CD1-CE2 3.63Å; I41-Y51 WeakPolarHBondContact CD1-O 3.47Å; I49-Y51 HydrophobicContact CD1-CD1 4.32Å; I49-Y51 HydrophobicContact CD1-CD2 4.29Å; I49-Y51 HydrophobicContact CD1-CE1 3.78Å; I49-Y51 HydrophobicContact CD1-CE2 3.75Å; I49-Y51 VanDerWaalsContact CD1-CZ 3.46Å; I49-Y51 HydrophobicContact CG1-CD1 4.42Å; I49-Y51 HydrophobicContact CG1-CE1 4.32Å; I49-Y51 WeakPolarHBondContact CG1-O 3.18Å; I49-Y51 PolarHBondContact O-N 2.95Å; Y51-E53 WeakPolarHBondContact CD2-O 3.37Å; Y51-F89 HydrophobicContact CE1-CE2 4.08Å; Y51-C92 PolarHBondContact OH-O 2.64Å; Y51-C92 VanDerWaalsContact OH-O 3.13Å; Y51-A96 WeakPolarHBondContact CE2-O 3.43Å; Y51-A96 VanDerWaalsContact CZ-O 3.26Å; Y51-A96 PolarHBondContact OH-O 3.24Å; Y51-V98 HydrophobicContact CD1-CB 3.93Å; Y51-V98 HydrophobicContact CD1-CG2 4.16Å; Y51-V98 HydrophobicContact CD2-CB 3.9Å; Y51-V98 HydrophobicContact CD2-CG2 4.08Å; Y51-V98 HydrophobicContact CE1-CB 4.06Å; Y51-V98 HydrophobicContact CE2-CB 4.03Å; Y51-V98 HydrophobicContact CG-CB 3.86Å; Y51-V98 HydrophobicContact CG-CG2 3.79Å | ||
| 52 | N | 89.2 | Confident | 89.9 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -117.1 | -5.6 | -171.7 | -66.7 | -8.9 | 0 | 0 | 0 | 114.1 | I41 | I41-N52 PolarHBondContact N-O 2.72Š|
| 53 | E | 91.6 | Very high | 89.7 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.7 | -179 | -63.3 | -173.5 | 126.3 | 0 | 0 | 110.5 | Q39 Y51 C99 | Q39-E53 WeakPolarHBondContact O-CA 3.28Å; Y51-E53 WeakPolarHBondContact CD2-O 3.37Å; E53-C99 HydrophobicContact CB-CB 4.2Å; E53-C99 PolarHBondContact O-N 3.16Å; E53-C99 VanDerWaalsContact O-N 3.1Å |
| 54 | T | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.6 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | C38 Q39 I41 Q65 A96 P97 | C38-T54 WeakPolarHBondContact CA-O 3.41Å; Q39-T54 HydrophobicContact CG-CG2 4.04Å; Q39-T54 PolarHBondContact N-O 3.13Å; Q39-T54 PolarHBondContact O-N 3.3Å; I41-T54 HydrophobicContact CG1-CG2 4.1Å; T54-Q65 VanDerWaalsContact CG2-CD 3.47Å; T54-Q65 HydrophobicContact CG2-CG 4.01Å; T54-A96 VanDerWaalsContact OG1-CA 3.23Å; T54-A96 WeakPolarHBondContact OG1-CA 3.32Å; T54-P97 VanDerWaalsContact CA-O 3.24Å; T54-P97 WeakPolarHBondContact CA-O 3.47Å; T54-P97 PolarHBondContact OG1-O 2.95Å |
| 55 | I | 91.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 145.5 | 169.9 | -175.4 | 162 | 0 | 0 | 0 | 110.7 | F37 P97 C99 A105 | F37-I55 HydrophobicContact CB-CD1 4.25Å; F37-I55 HydrophobicContact CB-CG1 4.22Å; I55-P97 HydrophobicContact CG2-CG 4.05Å; I55-P97 PolarHBondContact N-O 3.15Å; I55-C99 HydrophobicContact CB-CB 4.47Å; I55-A105 HydrophobicContact CG2-CB 4.03Å |
| 56 | M | 89.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -124.9 | 147.4 | 170.6 | -61.7 | -54.3 | -73.5 | 0 | 0 | 111.2 | N58 H62 N64 Q65 | M56-N58 HydrophobicContact CE-CB 4.22Å; M56-N58 HydrophobicContact SD-CB 4.17Å; M56-H62 HydrophobicContact CE-CB 3.98Å; M56-H62 WeakPolarHBondContact CE-O 3.28Å; M56-N64 VanDerWaalsContact CE-O 3.31Å; M56-N64 WeakPolarHBondContact CE-O 3.47Å; M56-Q65 HydrophobicContact SD-CG 4.4Å |
| 57 | P | 90.4 | Very high | 89.4 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | S | Bend | cis | -69.8 | 150.5 | 0.5 | 29.2 | -35 | 0 | 0 | 0 | 113.3 | H62 T63 | P57-H62 CarbonylContact C-O 3.53Å; P57-H62 WeakPolarHBondContact CA-O 3.47Å; P57-H62 WeakPolarHBondContact CB-O 3.38Å; P57-T63 HydrophobicContact CB-CG2 4.47Å |
| 58 | N | 92.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | trans | -77.4 | 177.4 | 177.5 | 70.9 | 17.3 | 0 | 0 | 0 | 111.8 | M56 L60 G61 H62 A68 Y95 P97 | M56-N58 HydrophobicContact CE-CB 4.22Å; M56-N58 HydrophobicContact SD-CB 4.17Å; N58-L60 PolarHBondContact O-N 3.36Å; N58-L60 WeakPolarHBondContact OD1-CA 3.42Å; N58-L60 PolarHBondContact OD1-N 2.85Å; N58-G61 PolarHBondContact O-N 3.37Å; N58-G61 PolarHBondContact OD1-N 3.25Å; N58-H62 PolarHBondContact N-O 2.96Å; N58-H62 WeakPolarHBondContact ND2-CB 3.33Å; N58-H62 PolarHBondContact ND2-ND1 3.01Å; N58-H62 WeakPolarHBondContact OD1-CB 3.45Å; N58-H62 PolarHBondContact OD1-N 3.31Å; N58-H62 PolarHBondContact OD1-ND1 3.41Å; N58-H62 VanDerWaalsContact OD1-ND1 3.16Å; N58-A68 WeakPolarHBondContact ND2-CB 3.33Å; N58-Y95 PolarHBondContact ND2-O 3.13Å; N58-P97 HydrophobicContact CB-CG 4.14Å | ||
| 59 | L | 90.8 | Very high | 90.2 | Very high | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.5 | -177.4 | -70.2 | 154.5 | 0 | 0 | 0 | 114 | S93 M94 P97 A105 P107 | L59-S93 WeakPolarHBondContact CD1-O 3.17Å; L59-M94 HydrophobicContact CB-CE 4.02Å; L59-M94 HydrophobicContact CB-SD 4.36Å; L59-M94 HydrophobicContact CD1-SD 3.82Å; L59-P97 HydrophobicContact CD1-CB 4.5Å; L59-A105 HydrophobicContact CD2-CB 4.17Å; L59-A105 HydrophobicContact CG-CB 3.93Å; L59-P107 HydrophobicContact CD1-CB 4.49Å; L59-P107 HydrophobicContact CD2-CB 4.14Å |
| 60 | L | 91.9 | Very high | 90.4 | Very high | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 2.8 | 178.7 | -61.9 | 172.4 | 0 | 0 | 0 | 112.4 | N58 M94 Y95 | N58-L60 PolarHBondContact O-N 3.36Å; N58-L60 WeakPolarHBondContact OD1-CA 3.42Å; N58-L60 PolarHBondContact OD1-N 2.85Å; L60-M94 HydrophobicContact CD2-CE 3.85Å; L60-M94 HydrophobicContact CG-CE 4.13Å; L60-Y95 HydrophobicContact CD1-CD1 3.69Å; L60-Y95 HydrophobicContact CD1-CD2 4.14Å; L60-Y95 HydrophobicContact CD1-CE1 3.2Å; L60-Y95 HydrophobicContact CD1-CE2 3.74Å; L60-Y95 HydrophobicContact CD1-CG 4.13Å |
| 61 | G | 87.4 | Confident | 91 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | trans | 84 | 7.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | N58 | N58-G61 PolarHBondContact O-N 3.37Å; N58-G61 PolarHBondContact OD1-N 3.25Å | ||
| 62 | H | 92.4 | Very high | 91.4 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -65.8 | 137.8 | 170.9 | -58.3 | 95.5 | 0 | 0 | 0 | 109.3 | M56 P57 N58 A68 E71 | M56-H62 HydrophobicContact CE-CB 3.98Å; M56-H62 WeakPolarHBondContact CE-O 3.28Å; P57-H62 CarbonylContact C-O 3.53Å; P57-H62 WeakPolarHBondContact CA-O 3.47Å; P57-H62 WeakPolarHBondContact CB-O 3.38Å; N58-H62 PolarHBondContact N-O 2.96Å; N58-H62 WeakPolarHBondContact ND2-CB 3.33Å; N58-H62 PolarHBondContact ND2-ND1 3.01Å; N58-H62 WeakPolarHBondContact OD1-CB 3.45Å; N58-H62 PolarHBondContact OD1-N 3.31Å; N58-H62 PolarHBondContact OD1-ND1 3.41Å; N58-H62 VanDerWaalsContact OD1-ND1 3.16Å; H62-A68 HydrophobicContact CB-CB 3.99Å; H62-E71 IonicContact CE1-OE2 3.3Å; H62-E71 PolarHBondContact CE1-OE2 3.05Å; H62-E71 IonicContact NE2-OE2 3.11Å; H62-E71 PolarHBondContact NE2-OE2 3.46Å; H62-E71 VanDerWaalsContact NE2-OE2 3.11Å | ||
| 63 | T | 87.9 | Confident | 91.5 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 64% | 0.638 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -98.8 | -13 | -179.1 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | P57 | P57-T63 HydrophobicContact CB-CG2 4.47Š|
| 64 | N | 89.3 | Confident | 91.4 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -139.3 | 159.3 | 178.7 | 65.9 | 63 | 0 | 0 | 0 | 111.5 | M56 E66 D67 A68 | M56-N64 VanDerWaalsContact CE-O 3.31Å; M56-N64 WeakPolarHBondContact CE-O 3.47Å; N64-E66 VanDerWaalsContact C-N 3.35Å; N64-E66 WeakPolarHBondContact CB-OE2 3.26Å; N64-E66 PolarHBondContact OD1-N 3.25Å; N64-E66 PolarHBondContact OD1-OE2 3.5Å; N64-D67 PolarHBondContact ND2-OD2 3Å; N64-D67 VanDerWaalsContact OD1-CB 3.31Å; N64-D67 WeakPolarHBondContact OD1-CB 3.45Å; N64-D67 PolarHBondContact OD1-N 2.86Å; N64-D67 PolarHBondContact OD1-OD2 3.45Å; N64-A68 PolarHBondContact O-N 2.68Å |
| 65 | Q | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.6 | -23.1 | -174.4 | -84.2 | -175.7 | 83.6 | 0 | 0 | 112.7 | Q39 P40 I41 S42 I43 T54 M56 G69 | Q39-Q65 VanDerWaalsContact CD-NE2 3.26Å; P40-Q65 PolarHBondContact O-NE2 2.94Å; I41-Q65 VanDerWaalsContact CA-OE1 3.26Å; S42-Q65 PolarHBondContact OG-OE1 3.21Å; I43-Q65 HydrophobicContact CD1-CB 4.31Å; I43-Q65 HydrophobicContact CD1-CG 4.3Å; I43-Q65 HydrophobicContact CG1-CB 4Å; I43-Q65 HydrophobicContact CG1-CG 4.26Å; I43-Q65 WeakPolarHBondContact CG1-O 3.29Å; T54-Q65 VanDerWaalsContact CG2-CD 3.47Å; T54-Q65 HydrophobicContact CG2-CG 4.01Å; M56-Q65 HydrophobicContact SD-CG 4.4Å; Q65-G69 WeakPolarHBondContact O-CA 3.34Å; Q65-G69 PolarHBondContact O-N 2.95Å |
| 66 | E | 91.5 | Very high | 91.5 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.9 | -48.8 | 178 | -65.4 | 69.9 | -155.6 | 0 | 0 | 110.6 | N64 G69 L70 | N64-E66 VanDerWaalsContact C-N 3.35Å; N64-E66 WeakPolarHBondContact CB-OE2 3.26Å; N64-E66 PolarHBondContact OD1-N 3.25Å; N64-E66 PolarHBondContact OD1-OE2 3.5Å; E66-G69 PolarHBondContact O-N 2.84Å; E66-L70 WeakPolarHBondContact O-CG 3.45Å; E66-L70 PolarHBondContact O-N 3.32Å |
| 67 | D | 91.3 | Very high | 91.5 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 178.3 | -66.8 | -23.6 | 0 | 0 | 0 | 111.1 | N64 G69 L70 E71 | N64-D67 PolarHBondContact ND2-OD2 3Å; N64-D67 VanDerWaalsContact OD1-CB 3.31Å; N64-D67 WeakPolarHBondContact OD1-CB 3.45Å; N64-D67 PolarHBondContact OD1-N 2.86Å; N64-D67 PolarHBondContact OD1-OD2 3.45Å; D67-G69 PolarHBondContact O-N 2.94Å; D67-L70 PolarHBondContact O-N 2.96Å; D67-E71 PolarHBondContact O-N 3.36Å |
| 68 | A | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I43 N58 H62 N64 V72 Y95 | I43-A68 HydrophobicContact CD1-CB 3.96Å; N58-A68 WeakPolarHBondContact ND2-CB 3.33Å; H62-A68 HydrophobicContact CB-CB 3.99Å; N64-A68 PolarHBondContact O-N 2.68Å; A68-V72 WeakPolarHBondContact O-CB 3.37Å; A68-V72 WeakPolarHBondContact O-CG1 3.31Å; A68-V72 PolarHBondContact O-N 3.3Å; A68-Y95 HydrophobicContact CB-CD1 4.43Å |
| 69 | G | 92.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q65 E66 D67 H73 | Q65-G69 WeakPolarHBondContact O-CA 3.34Å; Q65-G69 PolarHBondContact O-N 2.95Å; E66-G69 PolarHBondContact O-N 2.84Å; D67-G69 PolarHBondContact O-N 2.94Å; G69-H73 WeakPolarHBondContact O-CB 3.3Å; G69-H73 PolarHBondContact O-N 3.27Å; G69-H73 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 91.3 | Very high | 91.5 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 177.5 | -70.9 | 172.6 | 0 | 0 | 0 | 112.3 | E66 D67 | E66-L70 WeakPolarHBondContact O-CG 3.45Å; E66-L70 PolarHBondContact O-N 3.32Å; D67-L70 PolarHBondContact O-N 2.96Å |
| 71 | E | 93 | Very high | 91.4 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 29% | 0.29 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.2 | -48.9 | 179.2 | -166.9 | -178.6 | 134.4 | 0 | 0 | 111.7 | H62 D67 H73 Q74 Y95 | H62-E71 IonicContact CE1-OE2 3.3Å; H62-E71 PolarHBondContact CE1-OE2 3.05Å; H62-E71 IonicContact NE2-OE2 3.11Å; H62-E71 PolarHBondContact NE2-OE2 3.46Å; H62-E71 VanDerWaalsContact NE2-OE2 3.11Å; D67-E71 PolarHBondContact O-N 3.36Å; E71-H73 PolarHBondContact O-N 2.95Å; E71-Q74 WeakPolarHBondContact O-CB 3.24Å; E71-Q74 WeakPolarHBondContact O-CG 3.36Å; E71-Q74 PolarHBondContact O-N 3.3Å; E71-Q74 VanDerWaalsContact O-N 3.13Å; E71-Y95 HydrophobicContact CB-CD1 4.49Å; E71-Y95 HydrophobicContact CB-CE1 3.76Å; E71-Y95 HydrophobicContact CG-CE1 3.73Å; E71-Y95 WeakPolarHBondContact OE1-CE1 3.44Å; E71-Y95 PolarHBondContact OE1-OH 2.89Å |
| 72 | V | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -28 | -177.4 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | I43 L45 A68 Q74 F75 L91 Y95 | I43-V72 HydrophobicContact CG2-CG1 3.78Å; L45-V72 HydrophobicContact CB-CG1 4.47Å; L45-V72 HydrophobicContact CD2-CB 4.34Å; L45-V72 HydrophobicContact CD2-CG1 4.02Å; L45-V72 HydrophobicContact CD2-CG2 3.65Å; A68-V72 WeakPolarHBondContact O-CB 3.37Å; A68-V72 WeakPolarHBondContact O-CG1 3.31Å; A68-V72 PolarHBondContact O-N 3.3Å; V72-Q74 PolarHBondContact O-N 3.23Å; V72-F75 WeakPolarHBondContact O-CB 3.46Å; V72-F75 PolarHBondContact O-N 2.93Å; V72-L91 HydrophobicContact CG2-CB 3.9Å; V72-L91 HydrophobicContact CG2-CD2 4.48Å; V72-Y95 HydrophobicContact CB-CD1 3.87Å; V72-Y95 HydrophobicContact CB-CD2 3.76Å; V72-Y95 HydrophobicContact CB-CE1 4.28Å; V72-Y95 HydrophobicContact CB-CE2 4.18Å; V72-Y95 HydrophobicContact CB-CG 3.59Å; V72-Y95 HydrophobicContact CG2-CD1 4.42Å; V72-Y95 HydrophobicContact CG2-CD2 3.38Å; V72-Y95 HydrophobicContact CG2-CE2 3.87Å; V72-Y95 HydrophobicContact CG2-CG 3.7Å |
| 73 | H | 91.9 | Very high | 91.5 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 44% | 0.44 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -66.3 | -16 | 178.5 | -160.9 | -75.8 | 0 | 0 | 0 | 113 | G69 E71 F75 Y76 | G69-H73 WeakPolarHBondContact O-CB 3.3Å; G69-H73 PolarHBondContact O-N 3.27Å; G69-H73 VanDerWaalsContact O-N 3.09Å; E71-H73 PolarHBondContact O-N 2.95Å; H73-F75 PolarHBondContact O-N 3.24Å; H73-Y76 AromaticContact NE2-CD2 3.73Å; H73-Y76 WeakPolarHBondContact O-CB 3.17Å; H73-Y76 PolarHBondContact O-N 3.45Å; H73-Y76 VanDerWaalsContact O-N 3.11Å |
| 74 | Q | 90.6 | Very high | 91.8 | Very high | 147 Ų | 147 | 64.5 Ų | 64.5 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.7 | 171.7 | -60.5 | -178.5 | 39.1 | 0 | 0 | 112.1 | E71 V72 Y76 P77 | E71-Q74 WeakPolarHBondContact O-CB 3.24Å; E71-Q74 WeakPolarHBondContact O-CG 3.36Å; E71-Q74 PolarHBondContact O-N 3.3Å; E71-Q74 VanDerWaalsContact O-N 3.13Å; V72-Q74 PolarHBondContact O-N 3.23Å; Q74-Y76 VanDerWaalsContact C-N 3.34Å; Q74-P77 WeakPolarHBondContact O-CD 3.43Å |
| 75 | F | 93.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 68.1 Ų | 68.1 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -86.2 | -1.8 | 176.5 | -60.2 | -88.5 | 0 | 0 | 0 | 113.5 | V72 H73 P77 L78 V79 L91 Y95 P132 L135 | V72-F75 WeakPolarHBondContact O-CB 3.46Å; V72-F75 PolarHBondContact O-N 2.93Å; H73-F75 PolarHBondContact O-N 3.24Å; F75-P77 VanDerWaalsContact C-CD 3.44Å; F75-P77 VanDerWaalsContact C-N 3.34Å; F75-L78 HydrophobicContact CD1-CD1 4.07Å; F75-L78 WeakPolarHBondContact O-CB 3.19Å; F75-L78 PolarHBondContact O-N 3.09Å; F75-V79 PolarHBondContact O-N 2.87Å; F75-V79 VanDerWaalsContact O-N 3.1Å; F75-L91 HydrophobicContact CB-CD1 3.5Å; F75-L91 VanDerWaalsContact CB-CD1 3.5Å; F75-L91 HydrophobicContact CB-CD2 4.37Å; F75-L91 HydrophobicContact CD1-CD2 4.21Å; F75-L91 HydrophobicContact CD2-CD2 3.97Å; F75-L91 HydrophobicContact CE2-CD2 4.31Å; F75-L91 HydrophobicContact CG-CD1 3.99Å; F75-L91 HydrophobicContact CG-CD2 3.93Å; F75-Y95 HydrophobicContact CE2-CE2 4.44Å; F75-P132 HydrophobicContact CE1-CG 4.46Å; F75-P132 HydrophobicContact CZ-CG 4.14Å; F75-L135 HydrophobicContact CE1-CD1 4.21Å; F75-L135 HydrophobicContact CE2-CD1 4.49Å; F75-L135 HydrophobicContact CZ-CD1 3.83Å |
| 76 | Y | 92.1 | Very high | 91.9 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -52.6 | -41.8 | -178.4 | -168.7 | -86 | 0 | 0 | 0 | 113.9 | L45 H73 Q74 L78 V79 K80 | L45-Y76 HydrophobicContact CD1-CD2 3.76Å; L45-Y76 HydrophobicContact CD1-CE2 4.33Å; H73-Y76 AromaticContact NE2-CD2 3.73Å; H73-Y76 WeakPolarHBondContact O-CB 3.17Å; H73-Y76 PolarHBondContact O-N 3.45Å; H73-Y76 VanDerWaalsContact O-N 3.11Å; Q74-Y76 VanDerWaalsContact C-N 3.34Å; Y76-L78 VanDerWaalsContact C-N 3.31Å; Y76-L78 PolarHBondContact O-N 3.13Å; Y76-V79 PolarHBondContact O-N 3.14Å; Y76-K80 HydrophobicContact CD1-CG 3.74Å; Y76-K80 HydrophobicContact CE1-CD 4.03Å; Y76-K80 HydrophobicContact CE1-CG 3.42Å; Y76-K80 VanDerWaalsContact CE1-CG 3.42Å; Y76-K80 WeakPolarHBondContact O-CG 3.04Å; Y76-K80 PolarHBondContact O-N 2.98Å; Y76-K80 WeakPolarHBondContact OH-CE 3.43Å; Y76-K80 PolarHBondContact OH-NZ 3.47Å |
| 77 | P | 89.9 | Confident | 92 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 175.6 | -24.1 | 35.9 | 0 | 0 | 0 | 113.4 | Q74 F75 K80 V81 | Q74-P77 WeakPolarHBondContact O-CD 3.43Å; F75-P77 VanDerWaalsContact C-CD 3.44Å; F75-P77 VanDerWaalsContact C-N 3.34Å; P77-K80 PolarHBondContact O-N 2.99Å; P77-V81 PolarHBondContact O-N 3.24Å |
| 78 | L | 91.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 178.7 | -65.3 | 171.6 | 0 | 0 | 0 | 111.8 | F75 Y76 V81 Q82 L87 L123 M124 | F75-L78 HydrophobicContact CD1-CD1 4.07Å; F75-L78 WeakPolarHBondContact O-CB 3.19Å; F75-L78 PolarHBondContact O-N 3.09Å; Y76-L78 VanDerWaalsContact C-N 3.31Å; Y76-L78 PolarHBondContact O-N 3.13Å; L78-V81 WeakPolarHBondContact O-CG1 3.37Å; L78-Q82 PolarHBondContact O-N 3.29Å; L78-L87 HydrophobicContact CB-CD2 3.59Å; L78-L123 HydrophobicContact CD2-CD2 3.86Å; L78-L123 HydrophobicContact CD2-CG 4.32Å; L78-M124 HydrophobicContact CD1-CG 3.66Å; L78-M124 HydrophobicContact CD1-SD 3.68Å; L78-M124 HydrophobicContact CD2-CG 4.15Å |
| 79 | V | 91.8 | Very high | 92.1 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 111 | L45 F75 Y76 Q82 L87 K88 L91 | L45-V79 HydrophobicContact CD1-CB 4.16Å; L45-V79 HydrophobicContact CD1-CG1 4.05Å; L45-V79 HydrophobicContact CD1-CG2 4.14Å; F75-V79 PolarHBondContact O-N 2.87Å; F75-V79 VanDerWaalsContact O-N 3.1Å; Y76-V79 PolarHBondContact O-N 3.14Å; V79-Q82 WeakPolarHBondContact O-CG 3.09Å; V79-Q82 PolarHBondContact O-N 3.43Å; V79-L87 HydrophobicContact CG2-CD2 3.91Å; V79-L87 HydrophobicContact CG2-CG 4.18Å; V79-K88 HydrophobicContact CG1-CB 4.03Å; V79-K88 HydrophobicContact CG1-CG 4.23Å; V79-L91 HydrophobicContact CG2-CD1 3.87Å |
| 80 | K | 89.5 | Confident | 92.2 | Very high | 135 Ų | 135 | 62.6 Ų | 62.6 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.2 | -36.8 | 178 | -76.9 | -66 | -176.9 | -177.3 | 0 | 114 | Y76 P77 Q82 | Y76-K80 HydrophobicContact CD1-CG 3.74Å; Y76-K80 HydrophobicContact CE1-CD 4.03Å; Y76-K80 HydrophobicContact CE1-CG 3.42Å; Y76-K80 VanDerWaalsContact CE1-CG 3.42Å; Y76-K80 WeakPolarHBondContact O-CG 3.04Å; Y76-K80 PolarHBondContact O-N 2.98Å; Y76-K80 WeakPolarHBondContact OH-CE 3.43Å; Y76-K80 PolarHBondContact OH-NZ 3.47Å; P77-K80 PolarHBondContact O-N 2.99Å; K80-Q82 PolarHBondContact O-N 3.12Å |
| 81 | V | 91 | Very high | 92.4 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.8 | -9.8 | 175 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | P77 L78 C83 L123 | P77-V81 PolarHBondContact O-N 3.24Å; L78-V81 WeakPolarHBondContact O-CG1 3.37Å; V81-C83 VanDerWaalsContact C-N 3.31Å; V81-C83 HydrophobicContact CG1-CB 4.18Å; V81-C83 PolarHBondContact O-N 2.93Å; V81-L123 HydrophobicContact CG1-CD2 3.7Å |
| 82 | Q | 89.1 | Confident | 92.5 | Very high | 154 Ų | 154 | 53.4 Ų | 53.4 | 72% | 0.72 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 46.1 | 177 | -62.2 | -178.3 | -30.9 | 0 | 0 | 112.7 | L78 V79 K80 S84 | L78-Q82 PolarHBondContact O-N 3.29Å; V79-Q82 WeakPolarHBondContact O-CG 3.09Å; V79-Q82 PolarHBondContact O-N 3.43Å; K80-Q82 PolarHBondContact O-N 3.12Å; Q82-S84 PolarHBondContact O-N 3.32Å |
| 83 | C | 92.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -60.9 | -23.6 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | V81 C120 L123 | V81-C83 VanDerWaalsContact C-N 3.31Å; V81-C83 HydrophobicContact CG1-CB 4.18Å; V81-C83 PolarHBondContact O-N 2.93Å; C83-C120 HydrophobicContact CB-CB 4.02Å; C83-C120 WeakPolarHBondContact CB-SG 3.42Å; C83-C120 VanDerWaalsContact SG-CA 3.5Å; C83-C120 WeakPolarHBondContact SG-CB 3.07Å; C83-C120 CovalentContact SG-SG 2.04Å; C83-C120 PolarHBondContact SG-SG 3.29Å; C83-L123 HydrophobicContact CB-CD2 4.06Å |
| 84 | S | 93.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | trans | -147.9 | 140.3 | 168.7 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | Q82 D86 L87 R115 C120 | Q82-S84 PolarHBondContact O-N 3.32Å; S84-D86 PolarHBondContact O-N 2.89Å; S84-D86 PolarHBondContact OG-N 3.45Å; S84-L87 PolarHBondContact O-N 3.49Å; S84-R115 WeakPolarHBondContact CB-O 3.43Å; S84-R115 PolarHBondContact OG-O 3.4Å; S84-C120 PolarHBondContact N-SG 3.12Å; S84-C120 VanDerWaalsContact N-SG 3.41Å | ||
| 85 | P | 90.6 | Very high | 92.8 | Very high | 121 Ų | 121 | 42.3 Ų | 42.3 | 79% | 0.786 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.2 | 175.3 | 29.2 | -35.7 | 0 | 0 | 0 | 112.6 | ||
| 86 | D | 93.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.3 | -176.8 | -75.2 | -54.2 | 0 | 0 | 0 | 113.2 | S84 K88 F89 F90 L112 R115 A116 Q152 | S84-D86 PolarHBondContact O-N 2.89Å; S84-D86 PolarHBondContact OG-N 3.45Å; D86-K88 PolarHBondContact O-N 3.48Å; D86-F89 PolarHBondContact O-N 3.43Å; D86-F90 WeakPolarHBondContact O-CB 3.47Å; D86-F90 PolarHBondContact O-N 3.41Å; D86-L112 HydrophobicContact CB-CD1 3.93Å; D86-R115 HydrophobicContact CB-CB 4.25Å; D86-R115 VanDerWaalsContact OD2-CB 3.26Å; D86-R115 WeakPolarHBondContact OD2-CB 3.35Å; D86-R115 WeakPolarHBondContact OD2-CD 3.33Å; D86-R115 IonicContact OD2-CZ 3.45Å; D86-R115 IonicContact OD2-NE 2.65Å; D86-R115 PolarHBondContact OD2-NE 3.05Å; D86-A116 HydrophobicContact CB-CB 4.37Å; D86-Q152 PolarHBondContact OD1-OE1 3.04Å |
| 87 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | -172.3 | -178.2 | 68.2 | 0 | 0 | 0 | 112.9 | L78 V79 S84 F89 F90 L91 A116 W131 | L78-L87 HydrophobicContact CB-CD2 3.59Å; V79-L87 HydrophobicContact CG2-CD2 3.91Å; V79-L87 HydrophobicContact CG2-CG 4.18Å; S84-L87 PolarHBondContact O-N 3.49Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; L87-F90 PolarHBondContact O-N 3.45Å; L87-L91 HydrophobicContact CD1-CD1 4.01Å; L87-L91 HydrophobicContact CD1-CG 4.11Å; L87-L91 HydrophobicContact CD2-CD1 4.42Å; L87-L91 HydrophobicContact CG-CD1 3.85Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 WeakPolarHBondContact O-CB 3.34Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 3.49Å; L87-A116 HydrophobicContact CD1-CB 4.37Å; L87-W131 HydrophobicContact CD1-CH2 4.19Å |
| 88 | K | 93.7 | Very high | 93.1 | Very high | 63 Ų | 63 | 35 Ų | 35 | 27% | 0.274 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 179.4 | -172.9 | -170.4 | 179 | -164 | 0 | 110.6 | L45 T47 D48 I49 V79 D86 C92 | L45-K88 WeakPolarHBondContact O-CE 3.31Å; T47-K88 PolarHBondContact O-NZ 2.98Å; D48-K88 PolarHBondContact O-NZ 3.36Å; I49-K88 HydrophobicContact CG2-CD 4.36Å; V79-K88 HydrophobicContact CG1-CB 4.03Å; V79-K88 HydrophobicContact CG1-CG 4.23Å; D86-K88 PolarHBondContact O-N 3.48Å; K88-C92 WeakPolarHBondContact O-CB 3.23Å; K88-C92 PolarHBondContact O-N 2.82Å; K88-C92 PolarHBondContact O-SG 3.5Å |
| 89 | F | 93.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | -177.6 | -175.4 | -114 | 0 | 0 | 0 | 112.2 | A50 Y51 D86 L87 C92 S93 L112 V150 Q152 | A50-F89 HydrophobicContact CB-CE2 4.18Å; Y51-F89 HydrophobicContact CE1-CE2 4.08Å; D86-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; F89-C92 PolarHBondContact O-N 2.86Å; F89-S93 WeakPolarHBondContact O-CB 3.34Å; F89-S93 PolarHBondContact O-N 3.11Å; F89-S93 PolarHBondContact O-OG 2.86Å; F89-L112 HydrophobicContact CD1-CD1 3.81Å; F89-L112 HydrophobicContact CD1-CD2 3.54Å; F89-L112 HydrophobicContact CD1-CG 4.32Å; F89-L112 HydrophobicContact CE1-CD1 4.42Å; F89-L112 HydrophobicContact CE1-CD2 3.61Å; F89-V150 HydrophobicContact CE1-CG1 4.21Å; F89-V150 HydrophobicContact CZ-CG1 3.83Å; F89-Q152 HydrophobicContact CD1-CG 3.89Å; F89-Q152 HydrophobicContact CE1-CG 3.84Å |
| 90 | F | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 174.9 | 170.6 | -109 | 0 | 0 | 0 | 112.3 | D86 L87 C92 S93 M94 P108 L112 C113 A116 W131 L135 F140 | D86-F90 WeakPolarHBondContact O-CB 3.47Å; D86-F90 PolarHBondContact O-N 3.41Å; L87-F90 PolarHBondContact O-N 3.45Å; F90-C92 VanDerWaalsContact C-N 3.34Å; F90-C92 PolarHBondContact O-N 2.9Å; F90-S93 WeakPolarHBondContact O-CB 3.47Å; F90-S93 PolarHBondContact O-N 2.89Å; F90-S93 VanDerWaalsContact O-N 3.15Å; F90-M94 HydrophobicContact CE2-CG 4.16Å; F90-M94 HydrophobicContact CZ-CG 4.19Å; F90-M94 PolarHBondContact O-N 3.27Å; F90-P108 HydrophobicContact CD2-CB 4.09Å; F90-P108 HydrophobicContact CD2-CG 4.02Å; F90-P108 HydrophobicContact CE2-CB 4.26Å; F90-P108 HydrophobicContact CE2-CG 3.73Å; F90-L112 HydrophobicContact CB-CG 4.23Å; F90-L112 HydrophobicContact CD2-CG 4.46Å; F90-C113 HydrophobicContact CD2-CB 4.01Å; F90-C113 HydrophobicContact CE2-CB 3.47Å; F90-C113 VanDerWaalsContact CE2-CB 3.47Å; F90-C113 HydrophobicContact CZ-CB 3.97Å; F90-C113 VanDerWaalsContact CZ-SG 3.54Å; F90-A116 HydrophobicContact CB-CB 3.51Å; F90-A116 HydrophobicContact CD1-CB 3.71Å; F90-A116 HydrophobicContact CG-CB 3.67Å; F90-W131 HydrophobicContact CD1-CZ2 4.43Å; F90-W131 HydrophobicContact CE1-CH2 4.24Å; F90-W131 AromaticContact CE1-CZ2 3.72Å; F90-W131 HydrophobicContact CE1-CZ2 3.72Å; F90-W131 HydrophobicContact CZ-CZ2 4.41Å; F90-L135 HydrophobicContact CE1-CB 4.3Å; F90-L135 HydrophobicContact CE1-CD1 4.4Å; F90-L135 HydrophobicContact CE1-CD2 4.3Å; F90-L135 HydrophobicContact CZ-CB 4.25Å; F90-L135 HydrophobicContact CZ-CD2 4.25Å; F90-F140 HydrophobicContact CE2-CD2 4.44Å; F90-F140 AromaticContact CE2-CE2 3.84Å; F90-F140 HydrophobicContact CE2-CE2 3.84Å; F90-F140 HydrophobicContact CE2-CZ 4.3Å; F90-F140 AromaticContact CZ-CE2 3.93Å; F90-F140 HydrophobicContact CZ-CE2 3.93Å; F90-F140 HydrophobicContact CZ-CZ 4.37Å |
| 91 | L | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 178.1 | -70.8 | 170.7 | 0 | 0 | 0 | 111.1 | V72 F75 V79 L87 S93 M94 Y95 L135 | V72-L91 HydrophobicContact CG2-CB 3.9Å; V72-L91 HydrophobicContact CG2-CD2 4.48Å; F75-L91 HydrophobicContact CB-CD1 3.5Å; F75-L91 VanDerWaalsContact CB-CD1 3.5Å; F75-L91 HydrophobicContact CB-CD2 4.37Å; F75-L91 HydrophobicContact CD1-CD2 4.21Å; F75-L91 HydrophobicContact CD2-CD2 3.97Å; F75-L91 HydrophobicContact CE2-CD2 4.31Å; F75-L91 HydrophobicContact CG-CD1 3.99Å; F75-L91 HydrophobicContact CG-CD2 3.93Å; V79-L91 HydrophobicContact CG2-CD1 3.87Å; L87-L91 HydrophobicContact CD1-CD1 4.01Å; L87-L91 HydrophobicContact CD1-CG 4.11Å; L87-L91 HydrophobicContact CD2-CD1 4.42Å; L87-L91 HydrophobicContact CG-CD1 3.85Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 WeakPolarHBondContact O-CB 3.34Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 3.49Å; L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.38Å; L91-M94 PolarHBondContact O-N 3.44Å; L91-M94 VanDerWaalsContact O-N 3.08Å; L91-Y95 HydrophobicContact CD2-CE2 4.2Å; L91-Y95 VanDerWaalsContact O-CD2 3.31Å; L91-Y95 WeakPolarHBondContact O-CD2 3.28Å; L91-Y95 PolarHBondContact O-N 3.48Å; L91-L135 HydrophobicContact CD2-CD1 4.22Å |
| 92 | C | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -32.5 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | C46 I49 Y51 K88 F89 F90 M94 A96 | C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.81Å; C46-C92 WeakPolarHBondContact CB-SG 3.32Å; C46-C92 WeakPolarHBondContact SG-CA 3.5Å; C46-C92 WeakPolarHBondContact SG-CB 3.36Å; C46-C92 CovalentContact SG-SG 2.04Å; C46-C92 PolarHBondContact SG-SG 3.29Å; I49-C92 HydrophobicContact CD1-CB 3.55Å; Y51-C92 PolarHBondContact OH-O 2.64Å; Y51-C92 VanDerWaalsContact OH-O 3.13Å; K88-C92 WeakPolarHBondContact O-CB 3.23Å; K88-C92 PolarHBondContact O-N 2.82Å; K88-C92 PolarHBondContact O-SG 3.5Å; F89-C92 PolarHBondContact O-N 2.86Å; F90-C92 VanDerWaalsContact C-N 3.34Å; F90-C92 PolarHBondContact O-N 2.9Å; C92-M94 PolarHBondContact O-N 3.38Å; C92-A96 CarbonylContact O-C 2.93Å; C92-A96 VanDerWaalsContact O-CA 3.27Å; C92-A96 WeakPolarHBondContact O-CA 3.23Å; C92-A96 PolarHBondContact O-N 2.9Å |
| 93 | S | 94 | Very high | 90.5 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -23.1 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 113.1 | L59 F89 F90 L91 P97 | L59-S93 WeakPolarHBondContact CD1-O 3.17Å; F89-S93 WeakPolarHBondContact O-CB 3.34Å; F89-S93 PolarHBondContact O-N 3.11Å; F89-S93 PolarHBondContact O-OG 2.86Å; F90-S93 WeakPolarHBondContact O-CB 3.47Å; F90-S93 PolarHBondContact O-N 2.89Å; F90-S93 VanDerWaalsContact O-N 3.15Å; L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.38Å; S93-P97 WeakPolarHBondContact O-CB 3.5Å |
| 94 | M | 94.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -88.7 | -47.6 | 175.8 | -72 | -62.3 | -64.8 | 0 | 0 | 113 | L59 L60 F90 L91 C92 P108 L135 F140 | L59-M94 HydrophobicContact CB-CE 4.02Å; L59-M94 HydrophobicContact CB-SD 4.36Å; L59-M94 HydrophobicContact CD1-SD 3.82Å; L60-M94 HydrophobicContact CD2-CE 3.85Å; L60-M94 HydrophobicContact CG-CE 4.13Å; F90-M94 HydrophobicContact CE2-CG 4.16Å; F90-M94 HydrophobicContact CZ-CG 4.19Å; F90-M94 PolarHBondContact O-N 3.27Å; L91-M94 PolarHBondContact O-N 3.44Å; L91-M94 VanDerWaalsContact O-N 3.08Å; C92-M94 PolarHBondContact O-N 3.38Å; M94-P108 HydrophobicContact CG-CG 4.15Å; M94-P108 VanDerWaalsContact SD-CD 3.52Å; M94-P108 HydrophobicContact SD-CG 3.63Å; M94-L135 HydrophobicContact CB-CD2 4.32Å; M94-L135 HydrophobicContact CE-CD2 4Å; M94-L135 HydrophobicContact CG-CD2 3.93Å; M94-F140 HydrophobicContact CE-CE1 3.95Å; M94-F140 HydrophobicContact CE-CZ 3.78Å; M94-F140 HydrophobicContact SD-CE1 3.53Å; M94-F140 VanDerWaalsContact SD-CE1 3.53Å; M94-F140 HydrophobicContact SD-CZ 3.49Å; M94-F140 WeakPolarHBondContact SD-CZ 3.38Å |
| 95 | Y | 95 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -92 | -26.6 | -171 | -72.5 | -88.5 | 0 | 0 | 0 | 113.8 | N58 L60 A68 E71 V72 F75 L91 | N58-Y95 PolarHBondContact ND2-O 3.13Å; L60-Y95 HydrophobicContact CD1-CD1 3.69Å; L60-Y95 HydrophobicContact CD1-CD2 4.14Å; L60-Y95 HydrophobicContact CD1-CE1 3.2Å; L60-Y95 HydrophobicContact CD1-CE2 3.74Å; L60-Y95 HydrophobicContact CD1-CG 4.13Å; A68-Y95 HydrophobicContact CB-CD1 4.43Å; E71-Y95 HydrophobicContact CB-CD1 4.49Å; E71-Y95 HydrophobicContact CB-CE1 3.76Å; E71-Y95 HydrophobicContact CG-CE1 3.73Å; E71-Y95 WeakPolarHBondContact OE1-CE1 3.44Å; E71-Y95 PolarHBondContact OE1-OH 2.89Å; V72-Y95 HydrophobicContact CB-CD1 3.87Å; V72-Y95 HydrophobicContact CB-CD2 3.76Å; V72-Y95 HydrophobicContact CB-CE1 4.28Å; V72-Y95 HydrophobicContact CB-CE2 4.18Å; V72-Y95 HydrophobicContact CB-CG 3.59Å; V72-Y95 HydrophobicContact CG2-CD1 4.42Å; V72-Y95 HydrophobicContact CG2-CD2 3.38Å; V72-Y95 HydrophobicContact CG2-CE2 3.87Å; V72-Y95 HydrophobicContact CG2-CG 3.7Å; F75-Y95 HydrophobicContact CE2-CE2 4.44Å; L91-Y95 HydrophobicContact CD2-CE2 4.2Å; L91-Y95 VanDerWaalsContact O-CD2 3.31Å; L91-Y95 WeakPolarHBondContact O-CD2 3.28Å; L91-Y95 PolarHBondContact O-N 3.48Å |
| 96 | A | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -137.5 | 65.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I43 C46 Y51 T54 C92 | I43-A96 HydrophobicContact CD1-CB 4.18Å; C46-A96 HydrophobicContact CB-CB 4.37Å; Y51-A96 WeakPolarHBondContact CE2-O 3.43Å; Y51-A96 VanDerWaalsContact CZ-O 3.26Å; Y51-A96 PolarHBondContact OH-O 3.24Å; T54-A96 VanDerWaalsContact OG1-CA 3.23Å; T54-A96 WeakPolarHBondContact OG1-CA 3.32Å; C92-A96 CarbonylContact O-C 2.93Å; C92-A96 VanDerWaalsContact O-CA 3.27Å; C92-A96 WeakPolarHBondContact O-CA 3.23Å; C92-A96 PolarHBondContact O-N 2.9Å |
| 97 | P | 94.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 143.5 | -174.3 | 25.7 | -34.1 | 0 | 0 | 0 | 111.9 | T54 I55 N58 L59 S93 C99 A105 | T54-P97 VanDerWaalsContact CA-O 3.24Å; T54-P97 WeakPolarHBondContact CA-O 3.47Å; T54-P97 PolarHBondContact OG1-O 2.95Å; I55-P97 HydrophobicContact CG2-CG 4.05Å; I55-P97 PolarHBondContact N-O 3.15Å; N58-P97 HydrophobicContact CB-CG 4.14Å; L59-P97 HydrophobicContact CD1-CB 4.5Å; S93-P97 WeakPolarHBondContact O-CB 3.5Å; P97-C99 PolarHBondContact O-N 2.88Å; P97-A105 HydrophobicContact CB-CB 3.86Å; P97-A105 HydrophobicContact CG-CB 3.51Å |
| 98 | V | 91 | Very high | 89.5 | Confident | 34 Ų | 34 | 38 Ų | 38 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -53.1 | 130.4 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | Y51 T100 V150 | Y51-V98 HydrophobicContact CD1-CB 3.93Å; Y51-V98 HydrophobicContact CD1-CG2 4.16Å; Y51-V98 HydrophobicContact CD2-CB 3.9Å; Y51-V98 HydrophobicContact CD2-CG2 4.08Å; Y51-V98 HydrophobicContact CE1-CB 4.06Å; Y51-V98 HydrophobicContact CE2-CB 4.03Å; Y51-V98 HydrophobicContact CG-CB 3.86Å; Y51-V98 HydrophobicContact CG-CG2 3.79Å; V98-T100 HydrophobicContact CG1-CG2 4.02Å; V98-T100 PolarHBondContact O-N 3.06Å; V98-V150 HydrophobicContact CG1-CG2 3.92Å |
| 99 | C | 86.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 35 Ų | 35 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 128.2 | 172.6 | -150.2 | 0 | 0 | 0 | 0 | 110.1 | C38 E53 I55 P97 | C38-C99 WeakPolarHBondContact CA-SG 3.39Å; C38-C99 HydrophobicContact CB-CB 3.84Å; C38-C99 WeakPolarHBondContact CB-SG 3.4Å; C38-C99 WeakPolarHBondContact SG-CB 3.38Å; C38-C99 CovalentContact SG-SG 2.02Å; C38-C99 PolarHBondContact SG-SG 3.49Å; E53-C99 HydrophobicContact CB-CB 4.2Å; E53-C99 PolarHBondContact O-N 3.16Å; E53-C99 VanDerWaalsContact O-N 3.1Å; I55-C99 HydrophobicContact CB-CB 4.47Å; P97-C99 PolarHBondContact O-N 2.88Å |
| 100 | T | 83.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 30% | 0.301 | 20% | 0.198 | S | C | . | . | trans | -130.6 | -178.7 | 177.3 | 70 | 0 | 0 | 0 | 0 | 109.8 | V98 L102 L106 | V98-T100 HydrophobicContact CG1-CG2 4.02Å; V98-T100 PolarHBondContact O-N 3.06Å; T100-L102 PolarHBondContact O-N 3.47Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.46Å; T100-L102 PolarHBondContact OG1-N 3.18Å; T100-L106 HydrophobicContact CG2-CD1 3.91Å; T100-L106 WeakPolarHBondContact OG1-CD1 3.27Å | ||
| 101 | V | 75.9 | Confident | 89.3 | Confident | 128 Ų | 128 | 39.9 Ų | 39.9 | 78% | 0.776 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -70.1 | -4.2 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 102 | L | 77.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -83.9 | 143.5 | 176.5 | -71.5 | 81.5 | 0 | 0 | 0 | 110.6 | T100 Q104 L106 | T100-L102 PolarHBondContact O-N 3.47Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.46Å; T100-L102 PolarHBondContact OG1-N 3.18Å; L102-Q104 PolarHBondContact O-N 3.47Å; L102-L106 HydrophobicContact CB-CD1 4.33Å; L102-L106 HydrophobicContact CD1-CD1 4.05Å; L102-L106 HydrophobicContact CD2-CD1 4.07Å; L102-L106 HydrophobicContact CG-CD1 4.37Å |
| 103 | E | 75.1 | Confident | 89.2 | Confident | 158 Ų | 158 | 39.9 Ų | 39.9 | 74% | 0.738 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71.4 | -6.2 | 176.5 | -62.5 | -176.8 | 169 | 0 | 0 | 113.7 | ||
| 104 | Q | 80.5 | Confident | 89.2 | Confident | 157 Ų | 157 | 44 Ų | 44 | 73% | 0.734 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -127.2 | 148.1 | -177.3 | -64.7 | -179.7 | 3.8 | 0 | 0 | 110.8 | L102 L106 | L102-Q104 PolarHBondContact O-N 3.47Å; Q104-L106 PolarHBondContact O-N 2.79Å |
| 105 | A | 87.2 | Confident | 89.1 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 131 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I55 L59 P97 | I55-A105 HydrophobicContact CG2-CB 4.03Å; L59-A105 HydrophobicContact CD2-CB 4.17Å; L59-A105 HydrophobicContact CG-CB 3.93Å; P97-A105 HydrophobicContact CB-CB 3.86Å; P97-A105 HydrophobicContact CG-CB 3.51Å |
| 106 | L | 90.3 | Very high | 89 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 131.2 | 173.3 | -89.2 | 86.5 | 0 | 0 | 0 | 111.1 | T100 L102 Q104 L148 V150 | T100-L106 HydrophobicContact CG2-CD1 3.91Å; T100-L106 WeakPolarHBondContact OG1-CD1 3.27Å; L102-L106 HydrophobicContact CB-CD1 4.33Å; L102-L106 HydrophobicContact CD1-CD1 4.05Å; L102-L106 HydrophobicContact CD2-CD1 4.07Å; L102-L106 HydrophobicContact CG-CD1 4.37Å; Q104-L106 PolarHBondContact O-N 2.79Å; L106-L148 HydrophobicContact CD2-CB 3.87Å; L106-V150 HydrophobicContact CB-CG2 3.94Å |
| 107 | P | 92.1 | Very high | 88.9 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 154.7 | 175.1 | 31 | -35 | 0 | 0 | 0 | 112.2 | L59 F140 P141 C149 V150 | L59-P107 HydrophobicContact CD1-CB 4.49Å; L59-P107 HydrophobicContact CD2-CB 4.14Å; P107-F140 HydrophobicContact CB-CD1 4.22Å; P107-P141 HydrophobicContact CG-CG 4.04Å; P107-C149 CarbonylContact O-C 3.52Å; P107-C149 WeakPolarHBondContact O-CA 3.34Å; P107-C149 WeakPolarHBondContact O-CB 3.49Å; P107-V150 PolarHBondContact O-N 3.42Å |
| 108 | P | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 151 | 168.3 | 29.4 | -34.1 | 0 | 0 | 0 | 110.8 | F90 M94 L112 F140 V150 | F90-P108 HydrophobicContact CD2-CB 4.09Å; F90-P108 HydrophobicContact CD2-CG 4.02Å; F90-P108 HydrophobicContact CE2-CB 4.26Å; F90-P108 HydrophobicContact CE2-CG 3.73Å; M94-P108 HydrophobicContact CG-CG 4.15Å; M94-P108 VanDerWaalsContact SD-CD 3.52Å; M94-P108 HydrophobicContact SD-CG 3.63Å; P108-L112 HydrophobicContact CB-CD2 4.07Å; P108-F140 HydrophobicContact CG-CD1 4Å; P108-F140 HydrophobicContact CG-CD2 4.44Å; P108-F140 HydrophobicContact CG-CE1 3.9Å; P108-F140 HydrophobicContact CG-CE2 4.38Å; P108-F140 HydrophobicContact CG-CG 4.29Å; P108-F140 HydrophobicContact CG-CZ 4.13Å; P108-F140 WeakPolarHBondContact O-CB 3.44Å; P108-V150 CarbonylContact C-O 2.93Å; P108-V150 VanDerWaalsContact CA-O 3.32Å; P108-V150 WeakPolarHBondContact CA-O 3.23Å |
| 109 | C | 94.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 146.4 | 172.6 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | S111 L112 C113 C149 V150 | C109-S111 PolarHBondContact O-N 2.73Å; C109-S111 VanDerWaalsContact O-N 3.17Å; C109-L112 WeakPolarHBondContact O-CB 3.45Å; C109-L112 PolarHBondContact O-N 3.14Å; C109-C113 PolarHBondContact O-N 3.29Å; C109-C149 WeakPolarHBondContact CA-SG 3.39Å; C109-C149 HydrophobicContact CB-CB 3.96Å; C109-C149 WeakPolarHBondContact CB-SG 3.22Å; C109-C149 WeakPolarHBondContact SG-CB 3.45Å; C109-C149 PolarHBondContact SG-O 3.47Å; C109-C149 VanDerWaalsContact SG-O 3.34Å; C109-C149 CovalentContact SG-SG 2.04Å; C109-C149 PolarHBondContact SG-SG 3.36Å; C109-V150 PolarHBondContact N-O 2.94Å |
| 110 | R | 93.3 | Very high | 88.5 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -50.7 | -43.1 | 178.2 | -177.2 | 174.8 | -56.7 | 171.7 | 1.8 | 113.1 | L112 C113 E114 C137 E138 F140 P141 | R110-L112 VanDerWaalsContact C-N 3.26Å; R110-L112 PolarHBondContact O-N 3.07Å; R110-C113 WeakPolarHBondContact O-CB 3.37Å; R110-C113 PolarHBondContact O-N 3.26Å; R110-C113 VanDerWaalsContact O-N 3.13Å; R110-E114 HydrophobicContact CG-CG 4.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.36Å; R110-E114 WeakPolarHBondContact O-CG 3.46Å; R110-E114 PolarHBondContact O-N 3.2Å; R110-C137 WeakPolarHBondContact CG-O 3.23Å; R110-C137 PolarHBondContact NE-O 3.07Å; R110-E138 PolarHBondContact NH2-O 3.23Å; R110-F140 HydrophobicContact CB-CB 4.29Å; R110-F140 PolarHBondContact NE-O 2.91Å; R110-F140 PolarHBondContact NH2-O 3.4Å; R110-P141 WeakPolarHBondContact CB-O 3.46Å; R110-P141 PolarHBondContact N-O 2.9Å |
| 111 | S | 91.6 | Very high | 88.9 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -31.4 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | C109 R115 | C109-S111 PolarHBondContact O-N 2.73Å; C109-S111 VanDerWaalsContact O-N 3.17Å; S111-R115 WeakPolarHBondContact O-CG 3.32Å; S111-R115 PolarHBondContact O-N 3.5Å; S111-R115 PolarHBondContact O-NH1 3.31Å |
| 112 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.7 | -42.4 | 175.6 | 175.5 | 63.7 | 0 | 0 | 0 | 110.6 | D86 F89 F90 P108 C109 R110 R115 A116 | D86-L112 HydrophobicContact CB-CD1 3.93Å; F89-L112 HydrophobicContact CD1-CD1 3.81Å; F89-L112 HydrophobicContact CD1-CD2 3.54Å; F89-L112 HydrophobicContact CD1-CG 4.32Å; F89-L112 HydrophobicContact CE1-CD1 4.42Å; F89-L112 HydrophobicContact CE1-CD2 3.61Å; F90-L112 HydrophobicContact CB-CG 4.23Å; F90-L112 HydrophobicContact CD2-CG 4.46Å; P108-L112 HydrophobicContact CB-CD2 4.07Å; C109-L112 WeakPolarHBondContact O-CB 3.45Å; C109-L112 PolarHBondContact O-N 3.14Å; R110-L112 VanDerWaalsContact C-N 3.26Å; R110-L112 PolarHBondContact O-N 3.07Å; L112-R115 PolarHBondContact O-N 3.29Å; L112-A116 WeakPolarHBondContact O-CB 3.3Å; L112-A116 PolarHBondContact O-N 3.49Å |
| 113 | C | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | F90 C109 R110 R115 A116 R117 L135 C137 F140 | F90-C113 HydrophobicContact CD2-CB 4.01Å; F90-C113 HydrophobicContact CE2-CB 3.47Å; F90-C113 VanDerWaalsContact CE2-CB 3.47Å; F90-C113 HydrophobicContact CZ-CB 3.97Å; F90-C113 VanDerWaalsContact CZ-SG 3.54Å; C109-C113 PolarHBondContact O-N 3.29Å; R110-C113 WeakPolarHBondContact O-CB 3.37Å; R110-C113 PolarHBondContact O-N 3.26Å; R110-C113 VanDerWaalsContact O-N 3.13Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 2.59Å; C113-A116 PolarHBondContact O-N 3.4Å; C113-A116 VanDerWaalsContact O-N 3.15Å; C113-R117 WeakPolarHBondContact O-CB 3.19Å; C113-R117 PolarHBondContact O-N 2.99Å; C113-L135 PolarHBondContact SG-O 3.22Å; C113-L135 VanDerWaalsContact SG-O 3.35Å; C113-C137 HydrophobicContact CB-CB 3.71Å; C113-C137 WeakPolarHBondContact CB-SG 3.32Å; C113-C137 PolarHBondContact O-SG 3.17Å; C113-C137 WeakPolarHBondContact SG-CA 3.45Å; C113-C137 WeakPolarHBondContact SG-CB 3.06Å; C113-C137 CovalentContact SG-SG 2.05Å; C113-C137 PolarHBondContact SG-SG 3.34Å; C113-F140 HydrophobicContact CB-CD2 3.71Å; C113-F140 HydrophobicContact CB-CE2 4.03Å |
| 114 | E | 94 | Very high | 90.8 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -41.3 | -178 | -74.1 | 173.6 | 174.2 | 0 | 0 | 111.9 | R110 R117 Q118 C137 | R110-E114 HydrophobicContact CG-CG 4.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.36Å; R110-E114 WeakPolarHBondContact O-CG 3.46Å; R110-E114 PolarHBondContact O-N 3.2Å; E114-R117 PolarHBondContact O-N 3.25Å; E114-Q118 VanDerWaalsContact O-CB 3.31Å; E114-Q118 WeakPolarHBondContact O-CB 3.47Å; E114-Q118 PolarHBondContact O-N 2.87Å; E114-C137 HydrophobicContact CG-CB 4Å; E114-C137 PolarHBondContact N-SG 3.18Å |
| 115 | R | 92.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.1 | -35.7 | 175.3 | -68.1 | -169.3 | -52.4 | -98.2 | 7.9 | 113.4 | S84 D86 S111 L112 C113 R117 Q118 | S84-R115 WeakPolarHBondContact CB-O 3.43Å; S84-R115 PolarHBondContact OG-O 3.4Å; D86-R115 HydrophobicContact CB-CB 4.25Å; D86-R115 VanDerWaalsContact OD2-CB 3.26Å; D86-R115 WeakPolarHBondContact OD2-CB 3.35Å; D86-R115 WeakPolarHBondContact OD2-CD 3.33Å; D86-R115 IonicContact OD2-CZ 3.45Å; D86-R115 IonicContact OD2-NE 2.65Å; D86-R115 PolarHBondContact OD2-NE 3.05Å; S111-R115 WeakPolarHBondContact O-CG 3.32Å; S111-R115 PolarHBondContact O-N 3.5Å; S111-R115 PolarHBondContact O-NH1 3.31Å; L112-R115 PolarHBondContact O-N 3.29Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 2.59Å; R115-R117 VanDerWaalsContact C-N 3.33Å; R115-Q118 PolarHBondContact O-N 3.22Å |
| 116 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D86 L87 F90 L112 C113 C120 | D86-A116 HydrophobicContact CB-CB 4.37Å; L87-A116 HydrophobicContact CD1-CB 4.37Å; F90-A116 HydrophobicContact CB-CB 3.51Å; F90-A116 HydrophobicContact CD1-CB 3.71Å; F90-A116 HydrophobicContact CG-CB 3.67Å; L112-A116 WeakPolarHBondContact O-CB 3.3Å; L112-A116 PolarHBondContact O-N 3.49Å; C113-A116 PolarHBondContact O-N 3.4Å; C113-A116 VanDerWaalsContact O-N 3.15Å; A116-C120 WeakPolarHBondContact O-CB 3.21Å; A116-C120 PolarHBondContact O-SG 3.1Å; A116-C120 VanDerWaalsContact O-SG 3.39Å |
| 117 | R | 94 | Very high | 91.3 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 21% | 0.211 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 175.3 | -169 | 176.1 | 73.9 | -172.8 | -2.1 | 111.4 | C113 E114 R115 G119 C120 E121 W131 E138 | C113-R117 WeakPolarHBondContact O-CB 3.19Å; C113-R117 PolarHBondContact O-N 2.99Å; E114-R117 PolarHBondContact O-N 3.25Å; R115-R117 VanDerWaalsContact C-N 3.33Å; R117-G119 PolarHBondContact O-N 3Å; R117-G119 VanDerWaalsContact O-N 3.13Å; R117-C120 PolarHBondContact O-N 3.49Å; R117-C120 VanDerWaalsContact O-N 3.12Å; R117-E121 WeakPolarHBondContact CD-OE2 3.35Å; R117-E121 HydrophobicContact CG-CB 3.76Å; R117-E121 HydrophobicContact CG-CG 4.42Å; R117-E121 IonicContact NE-OE2 2.91Å; R117-E121 PolarHBondContact O-N 3Å; R117-W131 HydrophobicContact CB-CD2 4.47Å; R117-W131 HydrophobicContact CB-CH2 4.13Å; R117-W131 HydrophobicContact CB-CZ2 4.02Å; R117-W131 HydrophobicContact CB-CZ3 4.4Å; R117-W131 HydrophobicContact CG-CD2 3.85Å; R117-W131 HydrophobicContact CG-CE3 4.05Å; R117-W131 HydrophobicContact CG-CG 4.27Å; R117-W131 HydrophobicContact CG-CH2 4.48Å; R117-W131 HydrophobicContact CG-CZ2 4.3Å; R117-W131 HydrophobicContact CG-CZ3 4.37Å; R117-E138 IonicContact CZ-OE1 2.85Å; R117-E138 IonicContact NH1-OE1 3.15Å; R117-E138 PolarHBondContact NH1-OE1 2.89Å; R117-E138 IonicContact NH1-OE2 3.58Å; R117-E138 IonicContact NH2-OE1 3.54Å |
| 118 | Q | 89.4 | Confident | 91.1 | Very high | 145 Ų | 145 | 56.5 Ų | 56.5 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 112 | -179.8 | -169 | 175.5 | 17.2 | 0 | 0 | 111 | E114 R115 | E114-Q118 VanDerWaalsContact O-CB 3.31Å; E114-Q118 WeakPolarHBondContact O-CB 3.47Å; E114-Q118 PolarHBondContact O-N 2.87Å; R115-Q118 PolarHBondContact O-N 3.22Å |
| 119 | G | 81.2 | Confident | 91 | Very high | 44 Ų | 44 | 63 Ų | 63 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -33.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R117 | R117-G119 PolarHBondContact O-N 3Å; R117-G119 VanDerWaalsContact O-N 3.13Å |
| 120 | C | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -83.6 | -36.9 | -179.7 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | C83 S84 A116 R117 L123 M124 W131 | C83-C120 HydrophobicContact CB-CB 4.02Å; C83-C120 WeakPolarHBondContact CB-SG 3.42Å; C83-C120 VanDerWaalsContact SG-CA 3.5Å; C83-C120 WeakPolarHBondContact SG-CB 3.07Å; C83-C120 CovalentContact SG-SG 2.04Å; C83-C120 PolarHBondContact SG-SG 3.29Å; S84-C120 PolarHBondContact N-SG 3.12Å; S84-C120 VanDerWaalsContact N-SG 3.41Å; A116-C120 WeakPolarHBondContact O-CB 3.21Å; A116-C120 PolarHBondContact O-SG 3.1Å; A116-C120 VanDerWaalsContact O-SG 3.39Å; R117-C120 PolarHBondContact O-N 3.49Å; R117-C120 VanDerWaalsContact O-N 3.12Å; C120-L123 WeakPolarHBondContact O-CB 3.37Å; C120-L123 PolarHBondContact O-N 2.99Å; C120-M124 VanDerWaalsContact O-CG 3.31Å; C120-M124 WeakPolarHBondContact O-CG 3.34Å; C120-M124 PolarHBondContact O-N 3.39Å; C120-W131 HydrophobicContact CB-CZ3 4.24Å |
| 121 | E | 92 | Very high | 90.8 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.8 | 176 | 175.6 | -139 | 0 | 0 | 112.5 | R117 L123 M124 N125 W131 | R117-E121 WeakPolarHBondContact CD-OE2 3.35Å; R117-E121 HydrophobicContact CG-CB 3.76Å; R117-E121 HydrophobicContact CG-CG 4.42Å; R117-E121 IonicContact NE-OE2 2.91Å; R117-E121 PolarHBondContact O-N 3Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.94Å; E121-M124 PolarHBondContact O-N 3.15Å; E121-N125 WeakPolarHBondContact O-CB 3.41Å; E121-N125 PolarHBondContact O-N 3.27Å; E121-N125 PolarHBondContact O-ND2 3.07Å; E121-W131 HydrophobicContact CB-CE3 4.35Å; E121-W131 HydrophobicContact CG-CB 4.27Å |
| 122 | A | 88.5 | Confident | 90.8 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.2 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K126 | A122-K126 PolarHBondContact O-N 2.91Å |
| 123 | L | 89.6 | Confident | 90.7 | Very high | 51 Ų | 51 | 73.7 Ų | 73.7 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 176.2 | -174.5 | 62.2 | 0 | 0 | 0 | 111.4 | L78 V81 C83 C120 E121 K126 F127 | L78-L123 HydrophobicContact CD2-CD2 3.86Å; L78-L123 HydrophobicContact CD2-CG 4.32Å; V81-L123 HydrophobicContact CG1-CD2 3.7Å; C83-L123 HydrophobicContact CB-CD2 4.06Å; C120-L123 WeakPolarHBondContact O-CB 3.37Å; C120-L123 PolarHBondContact O-N 2.99Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.94Å; L123-K126 WeakPolarHBondContact O-CB 3.35Å; L123-K126 PolarHBondContact O-N 2.9Å; L123-F127 HydrophobicContact CD1-CD2 4.3Å; L123-F127 HydrophobicContact CD1-CE2 3.79Å; L123-F127 HydrophobicContact CG-CE2 4.47Å; L123-F127 VanDerWaalsContact O-CD2 3.28Å; L123-F127 WeakPolarHBondContact O-CD2 3.42Å |
| 124 | M | 90.6 | Very high | 90.4 | Very high | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 175.8 | -71.3 | 178.1 | 67.7 | 0 | 0 | 111.6 | L78 C120 E121 K126 F127 G128 F129 Q130 W131 | L78-M124 HydrophobicContact CD1-CG 3.66Å; L78-M124 HydrophobicContact CD1-SD 3.68Å; L78-M124 HydrophobicContact CD2-CG 4.15Å; C120-M124 VanDerWaalsContact O-CG 3.31Å; C120-M124 WeakPolarHBondContact O-CG 3.34Å; C120-M124 PolarHBondContact O-N 3.39Å; E121-M124 PolarHBondContact O-N 3.15Å; M124-K126 VanDerWaalsContact C-N 3.27Å; M124-K126 PolarHBondContact O-N 3.16Å; M124-F127 CarbonylContact O-C 3.56Å; M124-F127 PolarHBondContact O-N 2.76Å; M124-G128 PolarHBondContact O-N 2.96Å; M124-F129 CarbonylContact C-O 3.4Å; M124-F129 HydrophobicContact CB-CB 4.19Å; M124-F129 VanDerWaalsContact CB-O 3.29Å; M124-F129 WeakPolarHBondContact CB-O 3.47Å; M124-F129 HydrophobicContact CE-CB 4.21Å; M124-F129 PolarHBondContact O-N 3.07Å; M124-F129 VanDerWaalsContact O-O 3.09Å; M124-Q130 WeakPolarHBondContact CE-O 3.35Å; M124-W131 HydrophobicContact SD-CE3 3.78Å; M124-W131 HydrophobicContact SD-CZ3 4.14Å |
| 125 | N | 91.1 | Very high | 90.4 | Very high | 78 Ų | 78 | 71.9 Ų | 71.9 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | -179.3 | -75 | -30 | 0 | 0 | 0 | 112.1 | E121 F127 G128 F129 | E121-N125 WeakPolarHBondContact O-CB 3.41Å; E121-N125 PolarHBondContact O-N 3.27Å; E121-N125 PolarHBondContact O-ND2 3.07Å; N125-F127 PolarHBondContact O-N 3.44Å; N125-G128 PolarHBondContact O-N 3.42Å; N125-F129 WeakPolarHBondContact CA-O 3.23Å; N125-F129 PolarHBondContact N-O 3.3Å; N125-F129 PolarHBondContact OD1-O 3.34Å |
| 126 | K | 89.2 | Confident | 90.4 | Very high | 171 Ų | 171 | 69.8 Ų | 69.8 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.1 | -29.5 | 176.2 | -173.1 | 177 | -179.3 | 179.7 | 0 | 113 | A122 L123 M124 | A122-K126 PolarHBondContact O-N 2.91Å; L123-K126 WeakPolarHBondContact O-CB 3.35Å; L123-K126 PolarHBondContact O-N 2.9Å; M124-K126 VanDerWaalsContact C-N 3.27Å; M124-K126 PolarHBondContact O-N 3.16Å |
| 127 | F | 88.5 | Confident | 90.4 | Very high | 142 Ų | 142 | 69.8 Ų | 69.8 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.8 | 176.6 | -68.4 | -75.1 | 0 | 0 | 0 | 113 | L123 M124 N125 F129 | L123-F127 HydrophobicContact CD1-CD2 4.3Å; L123-F127 HydrophobicContact CD1-CE2 3.79Å; L123-F127 HydrophobicContact CG-CE2 4.47Å; L123-F127 VanDerWaalsContact O-CD2 3.28Å; L123-F127 WeakPolarHBondContact O-CD2 3.42Å; M124-F127 CarbonylContact O-C 3.56Å; M124-F127 PolarHBondContact O-N 2.76Å; N125-F127 PolarHBondContact O-N 3.44Å; F127-F129 HydrophobicContact CB-CD2 3.97Å; F127-F129 HydrophobicContact CB-CE2 4.2Å; F127-F129 WeakPolarHBondContact O-CD2 3.48Å; F127-F129 WeakPolarHBondContact O-CE2 3.46Å |
| 128 | G | 88.1 | Confident | 90.4 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 72% | 0.722 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 13.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | M124 N125 | M124-G128 PolarHBondContact O-N 2.96Å; N125-G128 PolarHBondContact O-N 3.42Å |
| 129 | F | 90.1 | Very high | 90.3 | Very high | 136 Ų | 136 | 72.3 Ų | 72.3 | 60% | 0.596 | 39% | 0.391 | S | S | * | . | trans | -106 | 131 | 176.7 | -60.1 | -79.9 | 0 | 0 | 0 | 110.5 | M124 N125 F127 | M124-F129 CarbonylContact C-O 3.4Å; M124-F129 HydrophobicContact CB-CB 4.19Å; M124-F129 VanDerWaalsContact CB-O 3.29Å; M124-F129 WeakPolarHBondContact CB-O 3.47Å; M124-F129 HydrophobicContact CE-CB 4.21Å; M124-F129 PolarHBondContact O-N 3.07Å; M124-F129 VanDerWaalsContact O-O 3.09Å; N125-F129 WeakPolarHBondContact CA-O 3.23Å; N125-F129 PolarHBondContact N-O 3.3Å; N125-F129 PolarHBondContact OD1-O 3.34Å; F127-F129 HydrophobicContact CB-CD2 3.97Å; F127-F129 HydrophobicContact CB-CE2 4.2Å; F127-F129 WeakPolarHBondContact O-CD2 3.48Å; F127-F129 WeakPolarHBondContact O-CE2 3.46Å | ||
| 130 | Q | 90.8 | Very high | 90.8 | Very high | 161 Ų | 161 | 70.9 Ų | 70.9 | 75% | 0.752 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 155.9 | 174.4 | -66.5 | -173 | -15.1 | 0 | 0 | 111 | M124 P132 | M124-Q130 WeakPolarHBondContact CE-O 3.35Å; Q130-P132 WeakPolarHBondContact O-CD 3.49Å |
| 131 | W | 92.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 71.6 Ų | 71.6 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 124 | 171.5 | -169.8 | -95.1 | 0 | 0 | 0 | 109.6 | L87 F90 R117 C120 E121 M124 L135 | L87-W131 HydrophobicContact CD1-CH2 4.19Å; F90-W131 HydrophobicContact CD1-CZ2 4.43Å; F90-W131 HydrophobicContact CE1-CH2 4.24Å; F90-W131 AromaticContact CE1-CZ2 3.72Å; F90-W131 HydrophobicContact CE1-CZ2 3.72Å; F90-W131 HydrophobicContact CZ-CZ2 4.41Å; R117-W131 HydrophobicContact CB-CD2 4.47Å; R117-W131 HydrophobicContact CB-CH2 4.13Å; R117-W131 HydrophobicContact CB-CZ2 4.02Å; R117-W131 HydrophobicContact CB-CZ3 4.4Å; R117-W131 HydrophobicContact CG-CD2 3.85Å; R117-W131 HydrophobicContact CG-CE3 4.05Å; R117-W131 HydrophobicContact CG-CG 4.27Å; R117-W131 HydrophobicContact CG-CH2 4.48Å; R117-W131 HydrophobicContact CG-CZ2 4.3Å; R117-W131 HydrophobicContact CG-CZ3 4.37Å; C120-W131 HydrophobicContact CB-CZ3 4.24Å; E121-W131 HydrophobicContact CB-CE3 4.35Å; E121-W131 HydrophobicContact CG-CB 4.27Å; M124-W131 HydrophobicContact SD-CE3 3.78Å; M124-W131 HydrophobicContact SD-CZ3 4.14Å; W131-L135 HydrophobicContact CZ2-CB 4.26Å; W131-L135 PolarHBondContact NE1-O 2.94Å |
| 132 | P | 92.1 | Very high | 90.4 | Very high | 38 Ų | 38 | 72 Ų | 72 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 142.3 | -172.4 | -23.6 | 33.5 | 0 | 0 | 0 | 113.6 | F75 Q130 S134 L135 A136 | F75-P132 HydrophobicContact CE1-CG 4.46Å; F75-P132 HydrophobicContact CZ-CG 4.14Å; Q130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-S134 PolarHBondContact O-N 3.35Å; P132-L135 HydrophobicContact CB-CG 4.5Å; P132-L135 HydrophobicContact CG-CD1 4.35Å; P132-L135 CarbonylContact O-C 3.59Å; P132-L135 PolarHBondContact O-N 2.97Å; P132-A136 PolarHBondContact O-N 3.3Å |
| 133 | D | 90.7 | Very high | 89.7 | Confident | 133 Ų | 133 | 74.8 Ų | 74.8 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -59.5 | -30.7 | 176.6 | -72.3 | -30 | 0 | 0 | 0 | 112.9 | L135 A136 K139 | D133-L135 PolarHBondContact O-N 2.88Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 3.24Å; D133-K139 WeakPolarHBondContact O-CE 3.33Å; D133-K139 PolarHBondContact O-NZ 3.38Å |
| 134 | S | 88.6 | Confident | 88.4 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -65 | -20.3 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | P132 | P132-S134 PolarHBondContact O-N 3.35Š|
| 135 | L | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -111.3 | 12.4 | 179.5 | -56.8 | -179 | 0 | 0 | 0 | 112.5 | F75 F90 L91 M94 C113 W131 P132 D133 C137 | F75-L135 HydrophobicContact CE1-CD1 4.21Å; F75-L135 HydrophobicContact CE2-CD1 4.49Å; F75-L135 HydrophobicContact CZ-CD1 3.83Å; F90-L135 HydrophobicContact CE1-CB 4.3Å; F90-L135 HydrophobicContact CE1-CD1 4.4Å; F90-L135 HydrophobicContact CE1-CD2 4.3Å; F90-L135 HydrophobicContact CZ-CB 4.25Å; F90-L135 HydrophobicContact CZ-CD2 4.25Å; L91-L135 HydrophobicContact CD2-CD1 4.22Å; M94-L135 HydrophobicContact CB-CD2 4.32Å; M94-L135 HydrophobicContact CE-CD2 4Å; M94-L135 HydrophobicContact CG-CD2 3.93Å; C113-L135 PolarHBondContact SG-O 3.22Å; C113-L135 VanDerWaalsContact SG-O 3.35Å; W131-L135 HydrophobicContact CZ2-CB 4.26Å; W131-L135 PolarHBondContact NE1-O 2.94Å; P132-L135 HydrophobicContact CB-CG 4.5Å; P132-L135 HydrophobicContact CG-CD1 4.35Å; P132-L135 CarbonylContact O-C 3.59Å; P132-L135 PolarHBondContact O-N 2.97Å; D133-L135 PolarHBondContact O-N 2.88Å; L135-C137 PolarHBondContact O-N 3.32Å |
| 136 | A | 93.6 | Very high | 85.7 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 13% | 0.132 | 45% | 0.454 | C | S | . | . | trans | -61.3 | 120.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P132 D133 E138 K139 | P132-A136 PolarHBondContact O-N 3.3Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 3.24Å; A136-E138 PolarHBondContact O-N 3.49Å; A136-E138 VanDerWaalsContact O-N 3.14Å; A136-K139 HydrophobicContact CB-CD 4.29Å; A136-K139 HydrophobicContact CB-CG 4.38Å; A136-K139 WeakPolarHBondContact O-CB 3.47Å; A136-K139 PolarHBondContact O-N 3.28Å; A136-K139 VanDerWaalsContact O-N 3.09Å | ||
| 137 | C | 93.6 | Very high | 85 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -64.6 | -24.5 | -169.4 | -59.2 | 0 | 0 | 0 | 0 | 113.9 | R110 C113 E114 L135 K139 F140 | R110-C137 WeakPolarHBondContact CG-O 3.23Å; R110-C137 PolarHBondContact NE-O 3.07Å; C113-C137 HydrophobicContact CB-CB 3.71Å; C113-C137 WeakPolarHBondContact CB-SG 3.32Å; C113-C137 PolarHBondContact O-SG 3.17Å; C113-C137 WeakPolarHBondContact SG-CA 3.45Å; C113-C137 WeakPolarHBondContact SG-CB 3.06Å; C113-C137 CovalentContact SG-SG 2.05Å; C113-C137 PolarHBondContact SG-SG 3.34Å; E114-C137 HydrophobicContact CG-CB 4Å; E114-C137 PolarHBondContact N-SG 3.18Å; L135-C137 PolarHBondContact O-N 3.32Å; C137-K139 PolarHBondContact O-N 2.91Å; C137-F140 PolarHBondContact O-N 3.27Å; C137-F140 VanDerWaalsContact O-N 3.12Å |
| 138 | E | 92.8 | Very high | 84.6 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.9 | 179.2 | -57.8 | 73 | -157.9 | 0 | 0 | 111.8 | R110 R117 A136 F140 | R110-E138 PolarHBondContact NH2-O 3.23Å; R117-E138 IonicContact CZ-OE1 2.85Å; R117-E138 IonicContact NH1-OE1 3.15Å; R117-E138 PolarHBondContact NH1-OE1 2.89Å; R117-E138 IonicContact NH1-OE2 3.58Å; R117-E138 IonicContact NH2-OE1 3.54Å; A136-E138 PolarHBondContact O-N 3.49Å; A136-E138 VanDerWaalsContact O-N 3.14Å; E138-F140 VanDerWaalsContact C-N 3.3Å |
| 139 | K | 88.7 | Confident | 84.6 | Confident | 141 Ų | 141 | 74.2 Ų | 74.2 | 61% | 0.613 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -77.2 | -12.5 | 177 | -63.1 | 179.9 | 178.1 | 174.9 | 0 | 113.7 | D133 A136 C137 | D133-K139 WeakPolarHBondContact O-CE 3.33Å; D133-K139 PolarHBondContact O-NZ 3.38Å; A136-K139 HydrophobicContact CB-CD 4.29Å; A136-K139 HydrophobicContact CB-CG 4.38Å; A136-K139 WeakPolarHBondContact O-CB 3.47Å; A136-K139 PolarHBondContact O-N 3.28Å; A136-K139 VanDerWaalsContact O-N 3.09Å; C137-K139 PolarHBondContact O-N 2.91Å |
| 140 | F | 91.5 | Very high | 84.5 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 7% | 0.066 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -97 | 148.9 | -176.3 | -60.2 | -54.1 | 0 | 0 | 0 | 112.7 | F90 M94 P107 P108 R110 C113 C137 E138 | F90-F140 HydrophobicContact CE2-CD2 4.44Å; F90-F140 AromaticContact CE2-CE2 3.84Å; F90-F140 HydrophobicContact CE2-CE2 3.84Å; F90-F140 HydrophobicContact CE2-CZ 4.3Å; F90-F140 AromaticContact CZ-CE2 3.93Å; F90-F140 HydrophobicContact CZ-CE2 3.93Å; F90-F140 HydrophobicContact CZ-CZ 4.37Å; M94-F140 HydrophobicContact CE-CE1 3.95Å; M94-F140 HydrophobicContact CE-CZ 3.78Å; M94-F140 HydrophobicContact SD-CE1 3.53Å; M94-F140 VanDerWaalsContact SD-CE1 3.53Å; M94-F140 HydrophobicContact SD-CZ 3.49Å; M94-F140 WeakPolarHBondContact SD-CZ 3.38Å; P107-F140 HydrophobicContact CB-CD1 4.22Å; P108-F140 HydrophobicContact CG-CD1 4Å; P108-F140 HydrophobicContact CG-CD2 4.44Å; P108-F140 HydrophobicContact CG-CE1 3.9Å; P108-F140 HydrophobicContact CG-CE2 4.38Å; P108-F140 HydrophobicContact CG-CG 4.29Å; P108-F140 HydrophobicContact CG-CZ 4.13Å; P108-F140 WeakPolarHBondContact O-CB 3.44Å; R110-F140 HydrophobicContact CB-CB 4.29Å; R110-F140 PolarHBondContact NE-O 2.91Å; R110-F140 PolarHBondContact NH2-O 3.4Å; C113-F140 HydrophobicContact CB-CD2 3.71Å; C113-F140 HydrophobicContact CB-CE2 4.03Å; C137-F140 PolarHBondContact O-N 3.27Å; C137-F140 VanDerWaalsContact O-N 3.12Å; E138-F140 VanDerWaalsContact C-N 3.3Å |
| 141 | P | 90.1 | Very high | 84 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 152.9 | 179.9 | 29.5 | -37.6 | 0 | 0 | 0 | 112.6 | P107 R110 E147 C149 | P107-P141 HydrophobicContact CG-CG 4.04Å; R110-P141 WeakPolarHBondContact CB-O 3.46Å; R110-P141 PolarHBondContact N-O 2.9Å; P141-E147 HydrophobicContact CB-CB 3.99Å; P141-C149 HydrophobicContact CG-CB 3.57Å |
| 142 | V | 85 | Confident | 82.7 | Confident | 73 Ų | 73 | 66 Ų | 66 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -89 | 131.8 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 109 | G144 A145 | V142-G144 PolarHBondContact O-N 3.14Å; V142-A145 HydrophobicContact CB-CB 4.34Å; V142-A145 VanDerWaalsContact O-CB 3.31Å; V142-A145 WeakPolarHBondContact O-CB 3.3Å; V142-A145 PolarHBondContact O-N 3.19Å; V142-A145 VanDerWaalsContact O-N 3.11Å |
| 143 | H | 72.9 | Confident | 81 | Confident | 130 Ų | 130 | 71.1 Ų | 71.1 | 60% | 0.602 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 124.5 | 179.8 | -171.4 | -86.2 | 0 | 0 | 0 | 110.8 | ||
| 144 | G | 63.8 | Low | 78.9 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 77% | 0.773 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | 2.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V142 G146 | V142-G144 PolarHBondContact O-N 3.14Å; G144-G146 VanDerWaalsContact C-N 3.34Å |
| 145 | A | 64.4 | Low | 76.7 | Confident | 78 Ų | 78 | 74 Ų | 74 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -87.3 | 8.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | V142 | V142-A145 HydrophobicContact CB-CB 4.34Å; V142-A145 VanDerWaalsContact O-CB 3.31Å; V142-A145 WeakPolarHBondContact O-CB 3.3Å; V142-A145 PolarHBondContact O-N 3.19Å; V142-A145 VanDerWaalsContact O-N 3.11Å |
| 146 | G | 59.4 | Low | 74.2 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 101.2 | -10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | G144 | G144-G146 VanDerWaalsContact C-N 3.34Š|
| 147 | E | 74.3 | Confident | 71.7 | Confident | 137 Ų | 137 | 91.6 Ų | 91.6 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -106.3 | 135.5 | 173.7 | -67.8 | 177.5 | -172.9 | 0 | 0 | 110.7 | P141 | P141-E147 HydrophobicContact CB-CB 3.99Š|
| 148 | L | 80.7 | Confident | 68.7 | Low | 127 Ų | 127 | 96.3 Ų | 96.3 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | trans | -75.9 | 134.1 | 179.6 | -65.6 | 171 | 0 | 0 | 0 | 110.5 | L106 | L106-L148 HydrophobicContact CD2-CB 3.87Š| ||
| 149 | C | 88.8 | Confident | 65.7 | Low | 22 Ų | 22 | 100.2 Ų | 100.2 | 15% | 0.149 | 57% | 0.571 | C | S | . | * | trans | -147.3 | 157.8 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | P107 C109 P141 | P107-C149 CarbonylContact O-C 3.52Å; P107-C149 WeakPolarHBondContact O-CA 3.34Å; P107-C149 WeakPolarHBondContact O-CB 3.49Å; C109-C149 WeakPolarHBondContact CA-SG 3.39Å; C109-C149 HydrophobicContact CB-CB 3.96Å; C109-C149 WeakPolarHBondContact CB-SG 3.22Å; C109-C149 WeakPolarHBondContact SG-CB 3.45Å; C109-C149 PolarHBondContact SG-O 3.47Å; C109-C149 VanDerWaalsContact SG-O 3.34Å; C109-C149 CovalentContact SG-SG 2.04Å; C109-C149 PolarHBondContact SG-SG 3.36Å; P141-C149 HydrophobicContact CG-CB 3.57Å | ||
| 150 | V | 87 | Confident | 63.5 | Low | 24 Ų | 24 | 99.6 Ų | 99.6 | 15% | 0.145 | 58% | 0.582 | C | S | . | * | B | Isolated β-bridge | trans | -92.6 | 122.6 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | F89 V98 L106 P107 P108 C109 | F89-V150 HydrophobicContact CE1-CG1 4.21Å; F89-V150 HydrophobicContact CZ-CG1 3.83Å; V98-V150 HydrophobicContact CG1-CG2 3.92Å; L106-V150 HydrophobicContact CB-CG2 3.94Å; P107-V150 PolarHBondContact O-N 3.42Å; P108-V150 CarbonylContact C-O 2.93Å; P108-V150 VanDerWaalsContact CA-O 3.32Å; P108-V150 WeakPolarHBondContact CA-O 3.23Å; C109-V150 PolarHBondContact N-O 2.94Å |
| 151 | G | 79.9 | Confident | 60.7 | Low | 35 Ų | 35 | 108.5 Ų | 108.5 | 36% | 0.361 | 62% | 0.623 | S | S | . | * | trans | -150.2 | 158.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 152 | Q | 65.8 | Low | 57.9 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 40% | 0.402 | 66% | 0.655 | S | S | . | * | trans | -82.4 | 132.4 | 168.5 | -67.8 | -175.3 | 5.9 | 0 | 0 | 110.1 | D86 F89 M154 | D86-Q152 PolarHBondContact OD1-OE1 3.04Å; F89-Q152 HydrophobicContact CD1-CG 3.89Å; F89-Q152 HydrophobicContact CE1-CG 3.84Å; Q152-M154 PolarHBondContact O-N 3.04Å | ||
| 153 | N | 56 | Low | 56.1 | Low | 146 Ų | 146 | 114.3 Ų | 114.3 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | trans | -67.1 | 97.6 | 173.7 | -101.7 | -15.6 | 0 | 0 | 0 | 110 | ||||
| 154 | M | 46.7 | Very low | 54 | Low | 135 Ų | 135 | 111.5 Ų | 111.5 | 67% | 0.665 | 68% | 0.682 | S | S | * | * | trans | -122.6 | 90.1 | 166.2 | -67.5 | -67.4 | -100.1 | 0 | 0 | 107.7 | Q152 D156 | Q152-M154 PolarHBondContact O-N 3.04Å; M154-D156 PolarHBondContact O-N 3.31Å | ||
| 155 | S | 43.2 | Very low | 52.5 | Low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -77.7 | 12.1 | 170.8 | -43.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 156 | D | 39.9 | Very low | 51.1 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.8 | 123.4 | -176.6 | -72.7 | -46.6 | 0 | 0 | 0 | 110.8 | M154 | M154-D156 PolarHBondContact O-N 3.31Š|
| 157 | R | 40.7 | Very low | 50.1 | Low | 253 Ų | 253 | 125.2 Ų | 125.2 | 96% | 0.955 | 69% | 0.693 | S | S | * | * | trans | 94.7 | 75 | 173.4 | -55.6 | 178.4 | 175.4 | 161.6 | -0.4 | 116.7 | ||||
| 158 | A | 31.5 | Very low | 48.1 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | -120.3 | 104.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 159 | E | 30.6 | Very low | 46 | Very low | 195 Ų | 195 | 123.4 Ų | 123.4 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 135.2 | 160.7 | -76.7 | -176.7 | 155 | 0 | 0 | 108.5 | ||
| 160 | P | 41 | Very low | 43.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 125.7 | 168.4 | 29 | -16.7 | 0 | 0 | 0 | 111.5 | ||
| 161 | E | 33 | Very low | 41 | Very low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85 | 134.6 | 158.5 | -78.2 | -171.8 | 152.9 | 0 | 0 | 110.4 | ||
| 162 | G | 31.3 | Very low | 38.9 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 123.1 | 136 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 163 | P | 46.6 | Very low | 37.6 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -109.5 | 151.3 | -148.8 | 36.7 | -24.7 | 0 | 0 | 0 | 114.9 | ||||
| 164 | G | 30.4 | Very low | 36.5 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 115.1 | 98.4 | 146 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 165 | H | 31.6 | Very low | 36.2 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | -176.2 | 118.6 | 113.1 | -120 | 55.6 | 0 | 0 | 0 | 109 | |||||
| 166 | Y | 35.3 | Very low | 36 | Very low | 221 Ų | 221 | 142.1 Ų | 142.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -66.4 | 143.3 | 162.4 | -87 | -92.8 | 0 | 0 | 0 | 108.6 | ||||
| 167 | P | 37.2 | Very low | 36.1 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | -134.7 | 132.5 | 107.7 | 23.4 | -5.6 | 0 | 0 | 0 | 113.1 | |||||
| 168 | T | 32.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 55.9 | 108.1 | 145.9 | 52.8 | 0 | 0 | 0 | 0 | 117.7 | R170 | T168-R170 PolarHBondContact O-N 3.26Š| ||
| 169 | A | 37.5 | Very low | 38.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -43.5 | 100.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 170 | R | 36.2 | Very low | 40.6 | Very low | 234 Ų | 234 | 127.5 Ų | 127.5 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -75.3 | 126.3 | 138.8 | -84.2 | 177.8 | -177.3 | 174.3 | 1.4 | 105.7 | T168 | T168-R170 PolarHBondContact O-N 3.26Š| ||
| 171 | S | 34.7 | Very low | 42.6 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -25.5 | 138.6 | 162.5 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 172 | P | 35.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -50.8 | 136.1 | 171.2 | 24.9 | -33.3 | 0 | 0 | 0 | 107.8 | E174 | P172-E174 PolarHBondContact O-N 2.88Å; P172-E174 VanDerWaalsContact O-N 3.12Å | ||
| 173 | P | 39.7 | Very low | 47.8 | Very low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | trans | -54.8 | 128.2 | 162.4 | 26 | -29.6 | 0 | 0 | 0 | 105.4 | ||||
| 174 | E | 33.2 | Very low | 49.5 | Very low | 172 Ų | 172 | 114.9 Ų | 114.9 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -40.7 | 142.6 | 170.6 | -77.1 | 177.1 | 130.7 | 0 | 0 | 109.5 | P172 T176 | P172-E174 PolarHBondContact O-N 2.88Å; P172-E174 VanDerWaalsContact O-N 3.12Å; E174-T176 PolarHBondContact O-N 3.32Å | ||
| 175 | P | 39.1 | Very low | 52 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | trans | -59.2 | 109.4 | 167.1 | 26.2 | -29.4 | 0 | 0 | 0 | 106.5 | H177 | P175-H177 PolarHBondContact O-CD2 3.03Å; P175-H177 PolarHBondContact O-N 3.42Å | ||
| 176 | T | 39.5 | Very low | 54.7 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | trans | -65.6 | 84.6 | 166.7 | 45.9 | 0 | 0 | 0 | 0 | 106.9 | E174 G178 | E174-T176 PolarHBondContact O-N 3.32Å; T176-G178 PolarHBondContact O-N 2.87Å | ||
| 177 | H | 42.2 | Very low | 57.2 | Low | 154 Ų | 154 | 97.8 Ų | 97.8 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 123.5 | 173.1 | -81.8 | -77.6 | 0 | 0 | 0 | 108.9 | P175 | P175-H177 PolarHBondContact O-CD2 3.03Å; P175-H177 PolarHBondContact O-N 3.42Å |
| 178 | G | 54 | Low | 59.6 | Low | 57 Ų | 57 | 92.8 Ų | 92.8 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 19.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | T176 F180 | T176-G178 PolarHBondContact O-N 2.87Å; G178-F180 PolarHBondContact O-N 2.93Å |
| 179 | Q | 64.1 | Low | 62.3 | Low | 136 Ų | 136 | 88.5 Ų | 88.5 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | trans | -78.5 | 120.3 | 173.8 | -147.1 | 167.8 | 18.2 | 0 | 0 | 110.7 | R181 | Q179-R181 PolarHBondContact O-N 3.27Š| ||
| 180 | F | 78.4 | Confident | 64.6 | Low | 24 Ų | 24 | 87.7 Ų | 87.7 | 11% | 0.105 | 49% | 0.491 | C | S | . | . | trans | -56.5 | 129 | 176.5 | 174.4 | -98.2 | 0 | 0 | 0 | 110.1 | G178 F196 L197 Q199 W474 V475 | G178-F180 PolarHBondContact O-N 2.93Å; F180-F196 HydrophobicContact CE1-CD1 4.01Å; F180-F196 HydrophobicContact CE1-CE1 4.3Å; F180-F196 HydrophobicContact CZ-CD1 4.11Å; F180-F196 HydrophobicContact CZ-CE1 4Å; F180-L197 HydrophobicContact CD1-CB 3.69Å; F180-L197 HydrophobicContact CD1-CD1 4.09Å; F180-L197 HydrophobicContact CD2-CD1 4.13Å; F180-L197 HydrophobicContact CE1-CB 4.04Å; F180-L197 HydrophobicContact CE1-CD1 4.07Å; F180-L197 HydrophobicContact CE2-CD1 4.11Å; F180-L197 HydrophobicContact CG-CB 4.23Å; F180-L197 HydrophobicContact CG-CD1 4.12Å; F180-L197 HydrophobicContact CZ-CD1 4.08Å; F180-Q199 HydrophobicContact CD1-CG 3.79Å; F180-Q199 HydrophobicContact CE1-CG 4.29Å; F180-Q199 WeakPolarHBondContact O-CG 3.46Å; F180-Q199 PolarHBondContact O-NE2 2.91Å; F180-W474 HydrophobicContact CE2-CZ3 4.23Å; F180-V475 HydrophobicContact CD2-CG1 4.17Å; F180-V475 HydrophobicContact CD2-CG2 3.96Å; F180-V475 HydrophobicContact CE2-CG2 4.42Å | ||
| 181 | R | 83.6 | Confident | 66.9 | Low | 183 Ų | 183 | 83.7 Ų | 83.7 | 69% | 0.691 | 48% | 0.477 | S | S | * | . | trans | -109.9 | 139.9 | 172.3 | -69.6 | -175.1 | 177 | 177.5 | -1.3 | 108.7 | Q179 P183 V484 | Q179-R181 PolarHBondContact O-N 3.27Å; R181-P183 WeakPolarHBondContact O-CD 3.35Å; R181-V484 WeakPolarHBondContact O-CG1 3.29Å | ||
| 182 | C | 86.4 | Confident | 69.3 | Low | 34 Ų | 34 | 80 Ų | 80 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | trans | -64 | 121.6 | -179.6 | -166.7 | 0 | 0 | 0 | 0 | 110.3 | Q199 C202 | C182-Q199 HydrophobicContact CB-CB 4.44Å; C182-C202 HydrophobicContact CB-CB 3.61Å; C182-C202 WeakPolarHBondContact CB-SG 3.47Å; C182-C202 VanDerWaalsContact SG-CA 3.51Å; C182-C202 WeakPolarHBondContact SG-CB 3.38Å; C182-C202 CovalentContact SG-SG 2.03Å; C182-C202 PolarHBondContact SG-SG 3.37Å | ||
| 183 | P | 86.1 | Confident | 71.7 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 5% | 0.045 | 45% | 0.448 | C | S | . | . | trans | -74.1 | 149.4 | 176.7 | 31.2 | -34.6 | 0 | 0 | 0 | 110.6 | R181 P185 L186 V187 Y482 V484 | R181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-P185 VanDerWaalsContact C-CD 3.49Å; P183-P185 VanDerWaalsContact C-N 3.32Å; P183-P185 VanDerWaalsContact O-N 3.15Å; P183-L186 HydrophobicContact CG-CB 3.99Å; P183-L186 HydrophobicContact CG-CD1 3.64Å; P183-L186 HydrophobicContact CG-CG 3.8Å; P183-L186 PolarHBondContact O-N 3.31Å; P183-V187 PolarHBondContact O-N 3.19Å; P183-Y482 HydrophobicContact CB-CD1 4.19Å; P183-Y482 HydrophobicContact CB-CG 4.37Å; P183-Y482 WeakPolarHBondContact CB-O 3.47Å; P183-Y482 HydrophobicContact CG-CD1 3.89Å; P183-Y482 HydrophobicContact CG-CG 4.07Å; P183-V484 HydrophobicContact CB-CG1 3.87Å; P183-V484 HydrophobicContact CG-CG1 4.35Å | ||
| 184 | G | 82.9 | Confident | 74.2 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -44.1 | -47.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L186 V187 | G184-L186 PolarHBondContact O-N 2.78Å; G184-L186 VanDerWaalsContact O-N 3.11Å; G184-V187 PolarHBondContact O-N 3.48Å |
| 185 | P | 83.6 | Confident | 76.9 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -62.4 | -18.5 | 179.3 | -26.1 | 32.2 | 0 | 0 | 0 | 116.6 | P183 E294 M295 | P183-P185 VanDerWaalsContact C-CD 3.49Å; P183-P185 VanDerWaalsContact C-N 3.32Å; P183-P185 VanDerWaalsContact O-N 3.15Å; P185-E294 WeakPolarHBondContact CA-OE2 3.49Å; P185-E294 HydrophobicContact CB-CB 3.79Å; P185-E294 WeakPolarHBondContact CD-OE2 3.38Å; P185-E294 HydrophobicContact CG-CB 4.17Å; P185-E294 VanDerWaalsContact CG-OE2 3.27Å; P185-E294 WeakPolarHBondContact CG-OE2 3.17Å; P185-M295 HydrophobicContact CB-CB 4.23Å; P185-M295 WeakPolarHBondContact O-CB 3.26Å |
| 186 | L | 87.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -109.2 | 0.7 | -175.8 | -59.8 | -175.2 | 0 | 0 | 0 | 113.1 | P183 G184 V188 F196 G203 P205 M295 W474 Y482 | P183-L186 HydrophobicContact CG-CB 3.99Å; P183-L186 HydrophobicContact CG-CD1 3.64Å; P183-L186 HydrophobicContact CG-CG 3.8Å; P183-L186 PolarHBondContact O-N 3.31Å; G184-L186 PolarHBondContact O-N 2.78Å; G184-L186 VanDerWaalsContact O-N 3.11Å; L186-V188 PolarHBondContact O-N 3.4Å; L186-F196 HydrophobicContact CD1-CE1 4.45Å; L186-G203 PolarHBondContact O-N 2.89Å; L186-P205 HydrophobicContact CD2-CB 3.85Å; L186-M295 HydrophobicContact CD2-CB 4.47Å; L186-M295 HydrophobicContact CD2-SD 3.95Å; L186-W474 HydrophobicContact CD1-CH2 4.39Å; L186-Y482 HydrophobicContact CD1-CD1 4.41Å; L186-Y482 HydrophobicContact CD1-CE1 4.11Å; L186-Y482 HydrophobicContact CD2-CE1 4.31Å; L186-Y482 HydrophobicContact CG-CE1 4.14Å |
| 187 | V | 88.2 | Confident | 81.6 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 131.5 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | P183 G184 N201 | P183-V187 PolarHBondContact O-N 3.19Å; G184-V187 PolarHBondContact O-N 3.48Å; V187-N201 WeakPolarHBondContact CA-O 3.4Å |
| 188 | V | 88.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | trans | -116.6 | 155.5 | 175 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | L186 L192 Y194 N201 F291 T297 | L186-V188 PolarHBondContact O-N 3.4Å; V188-L192 HydrophobicContact CB-CD1 4.31Å; V188-Y194 HydrophobicContact CB-CD2 4.39Å; V188-Y194 HydrophobicContact CG1-CD2 4.08Å; V188-Y194 HydrophobicContact CG2-CD2 3.81Å; V188-Y194 HydrophobicContact CG2-CG 3.79Å; V188-N201 PolarHBondContact N-O 3.14Å; V188-F291 HydrophobicContact CB-CE2 4.47Å; V188-F291 HydrophobicContact CG1-CD2 4.49Å; V188-F291 HydrophobicContact CG1-CE2 4.09Å; V188-T297 HydrophobicContact CG1-CG2 3.81Å | ||
| 189 | P | 87.2 | Confident | 85.2 | Confident | 32 Ų | 32 | 63 Ų | 63 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | trans | -55.4 | 137.9 | 178.9 | -29.4 | 35.8 | 0 | 0 | 0 | 113.6 | Y191 L192 F291 | P189-Y191 HydrophobicContact CB-CD1 3.5Å; P189-Y191 HydrophobicContact CB-CE1 3.1Å; P189-Y191 HydrophobicContact CB-CG 4.42Å; P189-Y191 HydrophobicContact CG-CE1 3.84Å; P189-Y191 PolarHBondContact O-N 3.37Å; P189-Y191 VanDerWaalsContact O-N 3.1Å; P189-L192 WeakPolarHBondContact O-CB 3.25Å; P189-L192 PolarHBondContact O-N 3.04Å; P189-L192 VanDerWaalsContact O-N 3.08Å; P189-F291 HydrophobicContact CG-CD1 3.78Å; P189-F291 HydrophobicContact CG-CE1 4.17Å; P189-F291 HydrophobicContact CG-CG 4.12Å | ||
| 190 | P | 85.7 | Confident | 86.4 | Confident | 87 Ų | 87 | 62 Ų | 62 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.5 | -28.4 | -174.7 | -27.9 | 34.8 | 0 | 0 | 0 | 115.7 | L192 N193 N201 | P190-L192 PolarHBondContact O-N 3.39Å; P190-L192 VanDerWaalsContact O-N 3.12Å; P190-N193 PolarHBondContact O-N 2.95Å; P190-N193 PolarHBondContact O-OD1 2.96Å; P190-N201 WeakPolarHBondContact CA-OD1 3.46Å |
| 191 | Y | 84.6 | Confident | 86.9 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -65.4 | -15.2 | 179.7 | 67.9 | -100.6 | 0 | 0 | 0 | 113.9 | P189 | P189-Y191 HydrophobicContact CB-CD1 3.5Å; P189-Y191 HydrophobicContact CB-CE1 3.1Å; P189-Y191 HydrophobicContact CB-CG 4.42Å; P189-Y191 HydrophobicContact CG-CE1 3.84Å; P189-Y191 PolarHBondContact O-N 3.37Å; P189-Y191 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 85.4 | Confident | 87.1 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -81.9 | -21.4 | 178.2 | -69.6 | 177.7 | 0 | 0 | 0 | 113 | V188 P189 P190 Y194 F291 K303 | V188-L192 HydrophobicContact CB-CD1 4.31Å; P189-L192 WeakPolarHBondContact O-CB 3.25Å; P189-L192 PolarHBondContact O-N 3.04Å; P189-L192 VanDerWaalsContact O-N 3.08Å; P190-L192 PolarHBondContact O-N 3.39Å; P190-L192 VanDerWaalsContact O-N 3.12Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 HydrophobicContact CB-CD1 3.59Å; L192-Y194 HydrophobicContact CB-CE1 3.6Å; L192-Y194 HydrophobicContact CB-CG 4.27Å; L192-Y194 HydrophobicContact CD1-CE1 4.25Å; L192-Y194 HydrophobicContact CD1-CE2 4.49Å; L192-Y194 HydrophobicContact CD2-CE1 4.26Å; L192-Y194 HydrophobicContact CG-CE1 4.26Å; L192-Y194 VanDerWaalsContact O-CD1 3.3Å; L192-Y194 WeakPolarHBondContact O-CD1 3.38Å; L192-Y194 PolarHBondContact O-N 2.72Å; L192-F291 HydrophobicContact CD1-CE1 3.96Å; L192-F291 HydrophobicContact CD1-CE2 4.42Å; L192-F291 HydrophobicContact CD1-CZ 3.6Å; L192-K303 HydrophobicContact CD2-CB 4.13Å; L192-K303 HydrophobicContact CD2-CG 3.99Å |
| 193 | N | 86.8 | Confident | 87.3 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 69% | 0.69 | 30% | 0.295 | S | S | * | . | trans | 52.8 | 37.8 | -178 | -58.9 | -59.2 | 0 | 0 | 0 | 114.3 | P190 | P190-N193 PolarHBondContact O-N 2.95Å; P190-N193 PolarHBondContact O-OD1 2.96Å | ||
| 194 | Y | 91.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | trans | -72.5 | 150.6 | 179.5 | -74.1 | 14.1 | 0 | 0 | 0 | 111.1 | V188 L192 E200 N201 C202 N288 Q300 | V188-Y194 HydrophobicContact CB-CD2 4.39Å; V188-Y194 HydrophobicContact CG1-CD2 4.08Å; V188-Y194 HydrophobicContact CG2-CD2 3.81Å; V188-Y194 HydrophobicContact CG2-CG 3.79Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 HydrophobicContact CB-CD1 3.59Å; L192-Y194 HydrophobicContact CB-CE1 3.6Å; L192-Y194 HydrophobicContact CB-CG 4.27Å; L192-Y194 HydrophobicContact CD1-CE1 4.25Å; L192-Y194 HydrophobicContact CD1-CE2 4.49Å; L192-Y194 HydrophobicContact CD2-CE1 4.26Å; L192-Y194 HydrophobicContact CG-CE1 4.26Å; L192-Y194 VanDerWaalsContact O-CD1 3.3Å; L192-Y194 WeakPolarHBondContact O-CD1 3.38Å; L192-Y194 PolarHBondContact O-N 2.72Å; Y194-E200 CarbonylContact O-C 3.29Å; Y194-N201 PolarHBondContact O-N 3.15Å; Y194-C202 WeakPolarHBondContact CB-O 3.11Å; Y194-N288 WeakPolarHBondContact CE2-ND2 3.44Å; Y194-N288 PolarHBondContact OH-ND2 3.47Å; Y194-Q300 VanDerWaalsContact CB-OE1 3.25Å; Y194-Q300 HydrophobicContact CD1-CB 3.71Å; Y194-Q300 HydrophobicContact CD2-CB 4.01Å; Y194-Q300 HydrophobicContact CD2-CG 4.18Å; Y194-Q300 HydrophobicContact CE1-CB 3.67Å; Y194-Q300 WeakPolarHBondContact CE1-O 3.5Å; Y194-Q300 HydrophobicContact CE2-CB 3.95Å; Y194-Q300 HydrophobicContact CE2-CG 4.3Å; Y194-Q300 HydrophobicContact CG-CB 3.9Å; Y194-Q300 HydrophobicContact CG-CG 4.36Å; Y194-Q300 PolarHBondContact OH-N 3.32Å; Y194-Q300 PolarHBondContact OH-O 2.98Å | ||
| 195 | R | 89.7 | Confident | 88 | Confident | 163 Ų | 163 | 50.5 Ų | 50.5 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128 | 176.5 | -70.3 | -176.6 | 171.4 | 178.8 | -3 | 109.9 | Q199 E200 C202 Q300 | R195-Q199 WeakPolarHBondContact CA-O 3.34Å; R195-E200 HydrophobicContact CG-CG 4.49Å; R195-E200 IonicContact CZ-OE1 3.34Å; R195-E200 IonicContact NE-OE1 3.45Å; R195-E200 PolarHBondContact NE-OE1 2.98Å; R195-E200 IonicContact NH2-OE1 2.63Å; R195-E200 PolarHBondContact NH2-OE1 3.1Å; R195-C202 CarbonylContact C-O 3.57Å; R195-Q300 PolarHBondContact O-NE2 3.19Å; R195-Q300 PolarHBondContact O-OE1 3.33Å |
| 196 | F | 89.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 124.1 | 178.1 | -177.7 | -116.7 | 0 | 0 | 0 | 110 | F180 L186 G198 Q199 C202 A204 M215 W474 | F180-F196 HydrophobicContact CE1-CD1 4.01Å; F180-F196 HydrophobicContact CE1-CE1 4.3Å; F180-F196 HydrophobicContact CZ-CD1 4.11Å; F180-F196 HydrophobicContact CZ-CE1 4Å; L186-F196 HydrophobicContact CD1-CE1 4.45Å; F196-G198 PolarHBondContact O-N 3.06Å; F196-G198 VanDerWaalsContact O-N 3.15Å; F196-Q199 PolarHBondContact N-O 3.35Å; F196-Q199 PolarHBondContact O-N 3.45Å; F196-C202 HydrophobicContact CB-CB 4.01Å; F196-C202 VanDerWaalsContact CB-O 3.24Å; F196-C202 WeakPolarHBondContact CB-O 3.31Å; F196-C202 PolarHBondContact N-O 3.44Å; F196-A204 HydrophobicContact CD2-CB 3.8Å; F196-A204 HydrophobicContact CE2-CB 3.57Å; F196-A204 HydrophobicContact CZ-CB 4.16Å; F196-M215 HydrophobicContact CE2-CE 4.12Å; F196-M215 HydrophobicContact CE2-SD 3.83Å; F196-M215 HydrophobicContact CZ-CE 4.15Å; F196-M215 HydrophobicContact CZ-SD 4.01Å; F196-W474 AromaticContact CE1-CH2 3.8Å; F196-W474 HydrophobicContact CE1-CH2 3.8Å; F196-W474 AromaticContact CE1-CZ3 3.7Å; F196-W474 HydrophobicContact CE1-CZ3 3.7Å; F196-W474 HydrophobicContact CZ-CE3 4.33Å; F196-W474 AromaticContact CZ-CH2 3.89Å; F196-W474 HydrophobicContact CZ-CH2 3.89Å; F196-W474 AromaticContact CZ-CZ3 3.71Å; F196-W474 HydrophobicContact CZ-CZ3 3.71Å |
| 197 | L | 87.3 | Confident | 88.3 | Confident | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39 | -178 | -60 | 176.9 | 0 | 0 | 0 | 113.9 | F180 Q199 E471 W474 V475 | F180-L197 HydrophobicContact CD1-CB 3.69Å; F180-L197 HydrophobicContact CD1-CD1 4.09Å; F180-L197 HydrophobicContact CD2-CD1 4.13Å; F180-L197 HydrophobicContact CE1-CB 4.04Å; F180-L197 HydrophobicContact CE1-CD1 4.07Å; F180-L197 HydrophobicContact CE2-CD1 4.11Å; F180-L197 HydrophobicContact CG-CB 4.23Å; F180-L197 HydrophobicContact CG-CD1 4.12Å; F180-L197 HydrophobicContact CZ-CD1 4.08Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.46Å; L197-E471 HydrophobicContact CD2-CB 3.71Å; L197-E471 HydrophobicContact CD2-CG 3.66Å; L197-W474 HydrophobicContact CD1-CE3 3.99Å; L197-W474 HydrophobicContact CD1-CZ3 3.74Å; L197-V475 HydrophobicContact CD1-CG2 3.53Å |
| 198 | G | 83.9 | Confident | 87.8 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 77% | 0.773 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -0.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F196 | F196-G198 PolarHBondContact O-N 3.06Å; F196-G198 VanDerWaalsContact O-N 3.15Å |
| 199 | Q | 88.1 | Confident | 87 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.4 | 174.4 | -62.5 | -59.5 | -52.5 | 0 | 0 | 111.2 | F180 C182 R195 F196 L197 C202 | F180-Q199 HydrophobicContact CD1-CG 3.79Å; F180-Q199 HydrophobicContact CE1-CG 4.29Å; F180-Q199 WeakPolarHBondContact O-CG 3.46Å; F180-Q199 PolarHBondContact O-NE2 2.91Å; C182-Q199 HydrophobicContact CB-CB 4.44Å; R195-Q199 WeakPolarHBondContact CA-O 3.34Å; F196-Q199 PolarHBondContact N-O 3.35Å; F196-Q199 PolarHBondContact O-N 3.45Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.46Å; Q199-C202 HydrophobicContact CB-CB 4.16Å |
| 200 | E | 89.6 | Confident | 86.5 | Confident | 116 Ų | 116 | 58.7 Ų | 58.7 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 155.3 | 174.3 | -58.2 | -165.9 | 142.8 | 0 | 0 | 111.2 | Y194 R195 C202 | Y194-E200 CarbonylContact O-C 3.29Å; R195-E200 HydrophobicContact CG-CG 4.49Å; R195-E200 IonicContact CZ-OE1 3.34Å; R195-E200 IonicContact NE-OE1 3.45Å; R195-E200 PolarHBondContact NE-OE1 2.98Å; R195-E200 IonicContact NH2-OE1 2.63Å; R195-E200 PolarHBondContact NH2-OE1 3.1Å; E200-C202 PolarHBondContact O-N 3.47Å |
| 201 | N | 88.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 59 Ų | 59 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 33.8 | -179.9 | -51.9 | -37.4 | 0 | 0 | 0 | 112.7 | V187 V188 P190 Y194 | V187-N201 WeakPolarHBondContact CA-O 3.4Å; V188-N201 PolarHBondContact N-O 3.14Å; P190-N201 WeakPolarHBondContact CA-OD1 3.46Å; Y194-N201 PolarHBondContact O-N 3.15Å |
| 202 | C | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -129.9 | 137.5 | -178.7 | -158.4 | 0 | 0 | 0 | 0 | 110.5 | C182 Y194 R195 F196 Q199 E200 | C182-C202 HydrophobicContact CB-CB 3.61Å; C182-C202 WeakPolarHBondContact CB-SG 3.47Å; C182-C202 VanDerWaalsContact SG-CA 3.51Å; C182-C202 WeakPolarHBondContact SG-CB 3.38Å; C182-C202 CovalentContact SG-SG 2.03Å; C182-C202 PolarHBondContact SG-SG 3.37Å; Y194-C202 WeakPolarHBondContact CB-O 3.11Å; R195-C202 CarbonylContact C-O 3.57Å; F196-C202 HydrophobicContact CB-CB 4.01Å; F196-C202 VanDerWaalsContact CB-O 3.24Å; F196-C202 WeakPolarHBondContact CB-O 3.31Å; F196-C202 PolarHBondContact N-O 3.44Å; Q199-C202 HydrophobicContact CB-CB 4.16Å; E200-C202 PolarHBondContact O-N 3.47Å |
| 203 | G | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -120.8 | 151.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L186 | L186-G203 PolarHBondContact O-N 2.89Š| ||
| 204 | A | 91.3 | Very high | 84.2 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | trans | -67 | 145.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F196 T297 V298 | F196-A204 HydrophobicContact CD2-CB 3.8Å; F196-A204 HydrophobicContact CE2-CB 3.57Å; F196-A204 HydrophobicContact CZ-CB 4.16Å; A204-T297 CarbonylContact O-C 3.6Å; A204-T297 WeakPolarHBondContact O-CA 3.24Å; A204-T297 WeakPolarHBondContact O-CB 3Å; A204-V298 HydrophobicContact CB-CB 4.23Å; A204-V298 HydrophobicContact CB-CG2 4.01Å; A204-V298 PolarHBondContact O-N 3.3Å | ||
| 205 | P | 91.3 | Very high | 84 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 144.7 | 179.8 | 29.1 | -36.1 | 0 | 0 | 0 | 112.9 | L186 G213 M295 W474 | L186-P205 HydrophobicContact CD2-CB 3.85Å; P205-G213 CarbonylContact C-O 3.51Å; P205-G213 VanDerWaalsContact C-O 3.3Å; P205-G213 WeakPolarHBondContact CB-O 3.24Å; P205-M295 HydrophobicContact CB-CE 4.14Å; P205-M295 HydrophobicContact CB-SD 4.03Å; P205-W474 HydrophobicContact CG-CZ2 3.99Å |
| 206 | C | 91.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | trans | -138 | 42.6 | -177 | -147.3 | 0 | 0 | 0 | 0 | 111.9 | G213 C287 R296 T297 V298 | C206-G213 PolarHBondContact N-O 3.13Å; C206-C287 HydrophobicContact CB-CB 3.75Å; C206-C287 WeakPolarHBondContact CB-SG 3.31Å; C206-C287 PolarHBondContact O-SG 2.92Å; C206-C287 VanDerWaalsContact O-SG 3.37Å; C206-C287 VanDerWaalsContact SG-CA 3.51Å; C206-C287 WeakPolarHBondContact SG-CB 3.44Å; C206-C287 CovalentContact SG-SG 2.03Å; C206-C287 PolarHBondContact SG-SG 3.17Å; C206-R296 WeakPolarHBondContact CA-O 3.35Å; C206-R296 HydrophobicContact CB-CB 4.28Å; C206-R296 PolarHBondContact N-O 3.44Å; C206-T297 VanDerWaalsContact CB-C 3.42Å; C206-V298 HydrophobicContact CB-CG2 3.89Å | ||
| 207 | E | 86.2 | Confident | 83.9 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -113.1 | 100.3 | 176.3 | -80 | -67.4 | -175.4 | 0 | 0 | 112.2 | K209 K210 G213 R290 M295 R296 | E207-K209 VanDerWaalsContact C-N 3.26Å; E207-K209 PolarHBondContact O-N 3.45Å; E207-K210 HydrophobicContact CB-CB 4.31Å; E207-K210 HydrophobicContact CB-CD 4.45Å; E207-K210 HydrophobicContact CB-CG 4.48Å; E207-K210 PolarHBondContact O-N 3.49Å; E207-G213 CarbonylContact C-O 3.56Å; E207-G213 PolarHBondContact N-O 2.87Å; E207-G213 CarbonylContact O-C 3.55Å; E207-G213 VanDerWaalsContact O-C 3.29Å; E207-G213 VanDerWaalsContact O-CA 3.26Å; E207-G213 WeakPolarHBondContact O-CA 3.17Å; E207-R290 IonicContact OE1-CZ 3.94Å; E207-R290 IonicContact OE1-NE 3.97Å; E207-R290 PolarHBondContact OE1-NE 3.48Å; E207-R290 IonicContact OE1-NH2 3.92Å; E207-R290 PolarHBondContact OE1-NH2 2.94Å; E207-M295 HydrophobicContact CB-CE 3.89Å; E207-M295 HydrophobicContact CB-CG 4.14Å; E207-M295 HydrophobicContact CG-CE 4.35Å; E207-M295 HydrophobicContact CG-CG 3.6Å; E207-R296 VanDerWaalsContact CD-NE 3.32Å; E207-R296 HydrophobicContact CG-CB 4.19Å; E207-R296 WeakPolarHBondContact OE1-CG 3.38Å; E207-R296 IonicContact OE1-NE 3Å; E207-R296 PolarHBondContact OE1-NE 3.39Å; E207-R296 VanDerWaalsContact OE1-NE 3.1Å; E207-R296 IonicContact OE2-CZ 2.72Å; E207-R296 IonicContact OE2-NE 2.85Å; E207-R296 PolarHBondContact OE2-NE 2.91Å; E207-R296 IonicContact OE2-NH2 3.87Å; E207-R296 PolarHBondContact OE2-NH2 3.32Å | ||
| 208 | L | 77 | Confident | 84 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.9 | -177 | -66.8 | 162.3 | 0 | 0 | 0 | 114.3 | I214 L222 D283 | L208-I214 HydrophobicContact CD2-CG2 4.31Å; L208-L222 HydrophobicContact CD2-CB 4.47Å; L208-L222 HydrophobicContact CD2-CD1 3.78Å; L208-L222 HydrophobicContact CD2-CD2 4.18Å; L208-L222 HydrophobicContact CD2-CG 4.37Å; L208-D283 HydrophobicContact CD1-CB 4.21Å |
| 209 | K | 73.3 | Confident | 84.3 | Confident | 184 Ų | 184 | 46.2 Ų | 46.2 | 80% | 0.8 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -4.6 | -170.9 | -63.3 | -175.5 | 179.6 | -179.3 | 0 | 114.6 | E207 | E207-K209 VanDerWaalsContact C-N 3.26Å; E207-K209 PolarHBondContact O-N 3.45Å |
| 210 | K | 75.1 | Confident | 84.4 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -102.6 | 144.4 | -179.2 | -75.7 | -174 | 175.3 | -175.6 | 0 | 110.3 | E207 H212 G213 E294 M295 | E207-K210 HydrophobicContact CB-CB 4.31Å; E207-K210 HydrophobicContact CB-CD 4.45Å; E207-K210 HydrophobicContact CB-CG 4.48Å; E207-K210 PolarHBondContact O-N 3.49Å; K210-H212 PolarHBondContact O-N 3.1Å; K210-G213 PolarHBondContact O-N 2.93Å; K210-E294 PolarHBondContact NZ-O 2.84Å; K210-M295 HydrophobicContact CB-CE 4.26Å; K210-M295 HydrophobicContact CD-CE 4.13Å |
| 211 | S | 65.1 | Low | 84.5 | Confident | 94 Ų | 94 | 48.6 Ų | 48.6 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 132.1 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 110 | G213 | S211-G213 PolarHBondContact O-N 2.97Å; S211-G213 VanDerWaalsContact O-N 3.12Å |
| 212 | H | 70.9 | Confident | 84.7 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 22.7 | -172.8 | -54.9 | -76.9 | 0 | 0 | 0 | 115 | K210 I214 S478 Y482 | K210-H212 PolarHBondContact O-N 3.1Å; H212-I214 PolarHBondContact O-N 2.68Å; H212-S478 PolarHBondContact ND1-OG 2.82Å; H212-Y482 HydrophobicContact CB-CE2 4.37Å; H212-Y482 PolarHBondContact O-OH 3.13Å |
| 213 | G | 75.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -81.7 | 0 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P205 C206 E207 K210 S211 | P205-G213 CarbonylContact C-O 3.51Å; P205-G213 VanDerWaalsContact C-O 3.3Å; P205-G213 WeakPolarHBondContact CB-O 3.24Å; C206-G213 PolarHBondContact N-O 3.13Å; E207-G213 CarbonylContact C-O 3.56Å; E207-G213 PolarHBondContact N-O 2.87Å; E207-G213 CarbonylContact O-C 3.55Å; E207-G213 VanDerWaalsContact O-C 3.29Å; E207-G213 VanDerWaalsContact O-CA 3.26Å; E207-G213 WeakPolarHBondContact O-CA 3.17Å; K210-G213 PolarHBondContact O-N 2.93Å; S211-G213 PolarHBondContact O-N 2.97Å; S211-G213 VanDerWaalsContact O-N 3.12Å | ||
| 214 | I | 84.3 | Confident | 85.1 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -138.5 | 148.4 | 170.8 | 43.5 | 178.4 | 0 | 0 | 0 | 106.9 | L208 H212 F217 L222 | L208-I214 HydrophobicContact CD2-CG2 4.31Å; H212-I214 PolarHBondContact O-N 2.68Å; I214-F217 WeakPolarHBondContact CD1-O 3.47Å; I214-F217 WeakPolarHBondContact CG1-O 3.38Å; I214-L222 HydrophobicContact CD1-CD1 3.28Å; I214-L222 HydrophobicContact CG1-CD1 4.47Å; I214-L222 HydrophobicContact CG2-CD1 4.26Å |
| 215 | M | 86.3 | Confident | 85.3 | Confident | 29 Ų | 29 | 57 Ų | 57 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.8 | -53.6 | -164.7 | -161.7 | 176.1 | 168.6 | 0 | 0 | 112.7 | F196 E471 W474 | F196-M215 HydrophobicContact CE2-CE 4.12Å; F196-M215 HydrophobicContact CE2-SD 3.83Å; F196-M215 HydrophobicContact CZ-CE 4.15Å; F196-M215 HydrophobicContact CZ-SD 4.01Å; M215-E471 HydrophobicContact CE-CG 3.88Å; M215-W474 HydrophobicContact CE-CD2 4.29Å; M215-W474 HydrophobicContact CE-CE3 4.24Å; M215-W474 HydrophobicContact CE-CG 4.4Å; M215-W474 HydrophobicContact CG-CB 4.45Å; M215-W474 HydrophobicContact CG-CD2 3.79Å; M215-W474 HydrophobicContact CG-CG 3.71Å; M215-W474 PolarHBondContact O-NE1 3.15Å |
| 216 | Y | 87.7 | Confident | 85.4 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -113 | -29.4 | -165.2 | -64.6 | -48.4 | 0 | 0 | 0 | 115.8 | W470 E471 P496 | Y216-W470 HydrophobicContact CD1-CB 4.23Å; Y216-W470 HydrophobicContact CE1-CB 3.61Å; Y216-E471 WeakPolarHBondContact OH-CG 3.38Å; Y216-P496 HydrophobicContact CD1-CG 3.97Å; Y216-P496 HydrophobicContact CD2-CG 4.48Å; Y216-P496 HydrophobicContact CG-CG 3.76Å |
| 217 | F | 90.5 | Very high | 85.6 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -121.1 | 165.3 | -167.8 | -57.1 | -70.5 | 0 | 0 | 0 | 110.3 | I214 E221 L378 P496 F498 F501 | I214-F217 WeakPolarHBondContact CD1-O 3.47Å; I214-F217 WeakPolarHBondContact CG1-O 3.38Å; F217-E221 HydrophobicContact CB-CB 4.26Å; F217-L378 HydrophobicContact CB-CD2 4.4Å; F217-L378 HydrophobicContact CD2-CD1 3.75Å; F217-L378 HydrophobicContact CD2-CD2 3.85Å; F217-L378 HydrophobicContact CD2-CG 3.82Å; F217-L378 HydrophobicContact CE2-CD1 3.41Å; F217-L378 VanDerWaalsContact CE2-CD1 3.41Å; F217-L378 HydrophobicContact CE2-CD2 4.36Å; F217-L378 HydrophobicContact CE2-CG 4.01Å; F217-L378 HydrophobicContact CG-CD2 4.06Å; F217-L378 HydrophobicContact CZ-CD1 3.92Å; F217-P496 HydrophobicContact CE1-CB 4.24Å; F217-P496 HydrophobicContact CE1-CG 3.93Å; F217-P496 HydrophobicContact CE2-CG 4.43Å; F217-P496 HydrophobicContact CZ-CB 3.97Å; F217-P496 HydrophobicContact CZ-CG 3.72Å; F217-F498 HydrophobicContact CD1-CB 4.39Å; F217-F498 AromaticContact CD1-CD2 3.84Å; F217-F498 HydrophobicContact CD1-CD2 3.84Å; F217-F498 HydrophobicContact CE1-CB 4.21Å; F217-F498 HydrophobicContact CE1-CD2 4.04Å; F217-F501 HydrophobicContact CE1-CD2 4.38Å; F217-F501 HydrophobicContact CZ-CD1 4.43Å; F217-F501 AromaticContact CZ-CD2 3.79Å; F217-F501 HydrophobicContact CZ-CD2 3.79Å; F217-F501 HydrophobicContact CZ-CE1 4.37Å; F217-F501 AromaticContact CZ-CE2 3.75Å; F217-F501 HydrophobicContact CZ-CE2 3.75Å; F217-F501 HydrophobicContact CZ-CG 4.16Å; F217-F501 HydrophobicContact CZ-CZ 4.04Å |
| 218 | S | 89.4 | Confident | 86.2 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | trans | -90 | 165.1 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | E220 E221 L222 | S218-E220 VanDerWaalsContact C-N 3.25Å; S218-E220 PolarHBondContact O-N 3.38Å; S218-E221 WeakPolarHBondContact CB-OE2 3.44Å; S218-E221 PolarHBondContact N-OE2 2.95Å; S218-E221 PolarHBondContact O-N 3.2Å; S218-E221 WeakPolarHBondContact OG-CB 3.42Å; S218-E221 VanDerWaalsContact OG-CG 3.27Å; S218-E221 WeakPolarHBondContact OG-CG 3.5Å; S218-E221 PolarHBondContact OG-N 2.9Å; S218-E221 PolarHBondContact OG-OE2 2.63Å; S218-L222 WeakPolarHBondContact O-CD1 3.39Å; S218-L222 PolarHBondContact O-N 3.45Å | ||
| 219 | E | 89.2 | Confident | 87.1 | Confident | 70 Ų | 70 | 64 Ų | 64 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -36.4 | 175.6 | -170.5 | -172.2 | 157.9 | 0 | 0 | 111.9 | L222 K223 | E219-L222 PolarHBondContact O-N 2.98Å; E219-K223 WeakPolarHBondContact O-CG 3.36Å; E219-K223 PolarHBondContact O-N 3.4Å; E219-K223 WeakPolarHBondContact OE1-CE 3.32Å; E219-K223 IonicContact OE1-NZ 2.69Å; E219-K223 PolarHBondContact OE1-NZ 2.9Å |
| 220 | E | 90.1 | Very high | 88.3 | Confident | 161 Ų | 161 | 55.4 Ų | 55.4 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.5 | -45 | 178.8 | -63.2 | -173.5 | 175.4 | 0 | 0 | 111.8 | S218 L222 K223 F224 | S218-E220 VanDerWaalsContact C-N 3.25Å; S218-E220 PolarHBondContact O-N 3.38Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3Å; E220-K223 PolarHBondContact O-N 3.45Å; E220-F224 WeakPolarHBondContact O-CB 3.25Å; E220-F224 PolarHBondContact O-N 3.42Å |
| 221 | E | 92.8 | Very high | 89.4 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 175 | -76.2 | 170.2 | 129.3 | 0 | 0 | 111.7 | F217 S218 F224 A225 F498 | F217-E221 HydrophobicContact CB-CB 4.26Å; S218-E221 WeakPolarHBondContact CB-OE2 3.44Å; S218-E221 PolarHBondContact N-OE2 2.95Å; S218-E221 PolarHBondContact O-N 3.2Å; S218-E221 WeakPolarHBondContact OG-CB 3.42Å; S218-E221 VanDerWaalsContact OG-CG 3.27Å; S218-E221 WeakPolarHBondContact OG-CG 3.5Å; S218-E221 PolarHBondContact OG-N 2.9Å; S218-E221 PolarHBondContact OG-OE2 2.63Å; E221-F224 PolarHBondContact O-N 3.35Å; E221-A225 WeakPolarHBondContact O-CB 3.34Å; E221-A225 PolarHBondContact O-N 2.97Å; E221-F498 HydrophobicContact CB-CD2 3.87Å; E221-F498 HydrophobicContact CB-CE2 3.61Å; E221-F498 HydrophobicContact CB-CG 4.43Å; E221-F498 HydrophobicContact CB-CZ 3.97Å; E221-F498 HydrophobicContact CG-CD1 4.31Å; E221-F498 HydrophobicContact CG-CD2 4.05Å; E221-F498 HydrophobicContact CG-CE1 4.41Å; E221-F498 HydrophobicContact CG-CE2 4.16Å; E221-F498 HydrophobicContact CG-CG 4.12Å; E221-F498 HydrophobicContact CG-CZ 4.33Å; E221-F498 WeakPolarHBondContact O-CE2 3.41Å; E221-F498 VanDerWaalsContact O-CZ 3.24Å; E221-F498 WeakPolarHBondContact O-CZ 3.47Å; E221-F498 WeakPolarHBondContact OE1-CB 3.49Å |
| 222 | L | 91.9 | Very high | 91 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.3 | -98.2 | 139 | 0 | 0 | 0 | 112.8 | L208 I214 S218 E219 E220 F224 A225 R226 V377 L378 | L208-L222 HydrophobicContact CD2-CB 4.47Å; L208-L222 HydrophobicContact CD2-CD1 3.78Å; L208-L222 HydrophobicContact CD2-CD2 4.18Å; L208-L222 HydrophobicContact CD2-CG 4.37Å; I214-L222 HydrophobicContact CD1-CD1 3.28Å; I214-L222 HydrophobicContact CG1-CD1 4.47Å; I214-L222 HydrophobicContact CG2-CD1 4.26Å; S218-L222 WeakPolarHBondContact O-CD1 3.39Å; S218-L222 PolarHBondContact O-N 3.45Å; E219-L222 PolarHBondContact O-N 2.98Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3Å; L222-F224 VanDerWaalsContact C-N 3.34Å; L222-F224 PolarHBondContact O-N 3.31Å; L222-A225 PolarHBondContact O-N 3.29Å; L222-R226 WeakPolarHBondContact O-CG 3.5Å; L222-R226 PolarHBondContact O-N 2.9Å; L222-V377 VanDerWaalsContact CD2-C 3.49Å; L222-V377 HydrophobicContact CD2-CB 4.15Å; L222-V377 HydrophobicContact CD2-CG1 3.65Å; L222-V377 WeakPolarHBondContact CD2-O 3.44Å; L222-L378 HydrophobicContact CG-CD2 4.23Å |
| 223 | K | 92.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 175.8 | -74.7 | 174.8 | -175.6 | 166.4 | 0 | 111 | E219 E220 R226 I227 | E219-K223 WeakPolarHBondContact O-CG 3.36Å; E219-K223 PolarHBondContact O-N 3.4Å; E219-K223 WeakPolarHBondContact OE1-CE 3.32Å; E219-K223 IonicContact OE1-NZ 2.69Å; E219-K223 PolarHBondContact OE1-NZ 2.9Å; E220-K223 PolarHBondContact O-N 3.45Å; K223-R226 PolarHBondContact O-N 3.37Å; K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.05Å; K223-I227 VanDerWaalsContact O-N 3.12Å |
| 224 | F | 95.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 55 Ų | 55 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 176.7 | -178.8 | -88.3 | 0 | 0 | 0 | 111.5 | E220 E221 L222 R226 I227 W228 F498 M502 | E220-F224 WeakPolarHBondContact O-CB 3.25Å; E220-F224 PolarHBondContact O-N 3.42Å; E221-F224 PolarHBondContact O-N 3.35Å; L222-F224 VanDerWaalsContact C-N 3.34Å; L222-F224 PolarHBondContact O-N 3.31Å; F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 3.45Å; F224-I227 PolarHBondContact O-N 3.27Å; F224-W228 HydrophobicContact CD1-CB 4.45Å; F224-W228 HydrophobicContact CE1-CB 4.24Å; F224-W228 HydrophobicContact CE1-CD2 4.49Å; F224-W228 HydrophobicContact CE1-CE3 4.42Å; F224-W228 HydrophobicContact CE1-CG 4.45Å; F224-W228 HydrophobicContact CZ-CE3 4.16Å; F224-W228 VanDerWaalsContact O-CB 3.24Å; F224-W228 WeakPolarHBondContact O-CB 3.35Å; F224-W228 PolarHBondContact O-N 3.29Å; F224-F498 HydrophobicContact CB-CZ 4.44Å; F224-F498 AromaticContact CD1-CE1 3.6Å; F224-F498 HydrophobicContact CD1-CE1 3.6Å; F224-F498 AromaticContact CD1-CZ 3.69Å; F224-F498 HydrophobicContact CD1-CZ 3.69Å; F224-F498 HydrophobicContact CE1-CE1 4.09Å; F224-F498 HydrophobicContact CE1-CZ 4.49Å; F224-F498 HydrophobicContact CG-CE1 4.47Å; F224-F498 HydrophobicContact CG-CZ 4.49Å; F224-M502 HydrophobicContact CD1-SD 4.14Å; F224-M502 HydrophobicContact CE1-CG 4.29Å; F224-M502 HydrophobicContact CE1-SD 4.14Å |
| 225 | A | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E221 L222 W228 I229 L378 F498 M502 | E221-A225 WeakPolarHBondContact O-CB 3.34Å; E221-A225 PolarHBondContact O-N 2.97Å; L222-A225 PolarHBondContact O-N 3.29Å; A225-W228 WeakPolarHBondContact O-CB 3.27Å; A225-W228 PolarHBondContact O-N 3.18Å; A225-I229 WeakPolarHBondContact O-CB 3.49Å; A225-I229 WeakPolarHBondContact O-CD1 3.31Å; A225-I229 WeakPolarHBondContact O-CG1 3.14Å; A225-I229 PolarHBondContact O-N 3.08Å; A225-L378 HydrophobicContact CB-CB 4.46Å; A225-L378 HydrophobicContact CB-CD2 3.78Å; A225-F498 HydrophobicContact CB-CE2 4.03Å; A225-F498 HydrophobicContact CB-CZ 4.06Å; A225-M502 HydrophobicContact CB-CE 3.44Å; A225-M502 VanDerWaalsContact CB-CE 3.44Å; A225-M502 HydrophobicContact CB-SD 4.04Å |
| 226 | R | 94.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 179 | -72.2 | 179.9 | -179.7 | -158.2 | -6.4 | 112.2 | L222 K223 F224 W228 G230 F279 E282 V377 L378 | L222-R226 WeakPolarHBondContact O-CG 3.5Å; L222-R226 PolarHBondContact O-N 2.9Å; K223-R226 PolarHBondContact O-N 3.37Å; F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 3.45Å; R226-W228 VanDerWaalsContact C-N 3.34Å; R226-W228 PolarHBondContact O-N 3.33Å; R226-G230 PolarHBondContact O-N 3.19Å; R226-F279 HydrophobicContact CB-CD2 4.36Å; R226-F279 VanDerWaalsContact O-CD2 3.28Å; R226-F279 WeakPolarHBondContact O-CD2 3.26Å; R226-E282 PolarHBondContact NH2-O 2.92Å; R226-V377 PolarHBondContact NH2-O 2.76Å; R226-V377 VanDerWaalsContact NH2-O 3.11Å; R226-L378 WeakPolarHBondContact CG-O 3.26Å |
| 227 | I | 95.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -67.5 | 169.1 | 0 | 0 | 0 | 110.4 | K223 F224 G230 I231 F279 | K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.05Å; K223-I227 VanDerWaalsContact O-N 3.12Å; F224-I227 PolarHBondContact O-N 3.27Å; I227-G230 PolarHBondContact O-N 3.21Å; I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.5Å; I227-I231 PolarHBondContact O-N 2.69Å; I227-F279 HydrophobicContact CG1-CE2 4.44Å |
| 228 | W | 97.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -53.9 | 178 | 178.7 | -100.7 | 0 | 0 | 0 | 111.8 | F224 A225 R226 G230 I231 W232 M502 L506 | F224-W228 HydrophobicContact CD1-CB 4.45Å; F224-W228 HydrophobicContact CE1-CB 4.24Å; F224-W228 HydrophobicContact CE1-CD2 4.49Å; F224-W228 HydrophobicContact CE1-CE3 4.42Å; F224-W228 HydrophobicContact CE1-CG 4.45Å; F224-W228 HydrophobicContact CZ-CE3 4.16Å; F224-W228 VanDerWaalsContact O-CB 3.24Å; F224-W228 WeakPolarHBondContact O-CB 3.35Å; F224-W228 PolarHBondContact O-N 3.29Å; A225-W228 WeakPolarHBondContact O-CB 3.27Å; A225-W228 PolarHBondContact O-N 3.18Å; R226-W228 VanDerWaalsContact C-N 3.34Å; R226-W228 PolarHBondContact O-N 3.33Å; W228-G230 VanDerWaalsContact C-N 3.32Å; W228-G230 PolarHBondContact O-N 3.39Å; W228-I231 PolarHBondContact O-N 3.44Å; W228-W232 AromaticContact CD2-CD1 3.72Å; W228-W232 AromaticContact CD2-NE1 3.56Å; W228-W232 AromaticContact CE2-CD1 3.52Å; W228-W232 AromaticContact CE2-NE1 3.24Å; W228-W232 AromaticContact CE3-NE1 3.75Å; W228-W232 HydrophobicContact CH2-CZ2 4.28Å; W228-W232 AromaticContact CH2-NE1 3.39Å; W228-W232 AromaticContact CZ2-CD1 3.92Å; W228-W232 HydrophobicContact CZ2-CZ2 4.49Å; W228-W232 AromaticContact CZ2-NE1 3.17Å; W228-W232 AromaticContact CZ3-NE1 3.68Å; W228-W232 AromaticContact NE1-CD1 3.71Å; W228-W232 AromaticContact NE1-NE1 3.89Å; W228-W232 PolarHBondContact O-N 2.92Å; W228-W232 VanDerWaalsContact O-N 3.14Å; W228-M502 HydrophobicContact CB-SD 4.18Å; W228-M502 HydrophobicContact CG-SD 3.97Å; W228-M502 PolarHBondContact NE1-O 3.36Å; W228-L506 HydrophobicContact CZ2-CB 4.33Å; W228-L506 HydrophobicContact CZ2-CD1 4.38Å; W228-L506 HydrophobicContact CZ2-CD2 4.15Å |
| 229 | I | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.7 | -64.1 | 164.5 | 0 | 0 | 0 | 110.5 | A225 W232 S233 Y275 Y505 | A225-I229 WeakPolarHBondContact O-CB 3.49Å; A225-I229 WeakPolarHBondContact O-CD1 3.31Å; A225-I229 WeakPolarHBondContact O-CG1 3.14Å; A225-I229 PolarHBondContact O-N 3.08Å; I229-W232 PolarHBondContact O-N 3.49Å; I229-S233 WeakPolarHBondContact O-CB 3.45Å; I229-S233 PolarHBondContact O-N 2.79Å; I229-S233 PolarHBondContact O-OG 3.01Å; I229-Y275 HydrophobicContact CG2-CD1 3.64Å; I229-Y275 HydrophobicContact CG2-CE1 4.3Å; I229-Y275 HydrophobicContact CG2-CG 3.91Å; I229-Y505 HydrophobicContact CD1-CD1 4.01Å; I229-Y505 HydrophobicContact CD1-CD2 3.54Å; I229-Y505 HydrophobicContact CD1-CE1 4.22Å; I229-Y505 HydrophobicContact CD1-CE2 3.79Å; I229-Y505 HydrophobicContact CD1-CG 3.69Å; I229-Y505 HydrophobicContact CG1-CD1 4.37Å; I229-Y505 HydrophobicContact CG1-CD2 3.92Å; I229-Y505 HydrophobicContact CG1-CG 3.79Å |
| 230 | G | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R226 I227 W228 W232 S233 I234 | R226-G230 PolarHBondContact O-N 3.19Å; I227-G230 PolarHBondContact O-N 3.21Å; W228-G230 VanDerWaalsContact C-N 3.32Å; W228-G230 PolarHBondContact O-N 3.39Å; G230-W232 PolarHBondContact O-N 3.05Å; G230-S233 WeakPolarHBondContact CA-OG 3.28Å; G230-S233 PolarHBondContact O-N 2.91Å; G230-S233 PolarHBondContact O-OG 2.92Å; G230-I234 VanDerWaalsContact O-CG1 3.29Å; G230-I234 WeakPolarHBondContact O-CG1 3.29Å; G230-I234 PolarHBondContact O-N 2.92Å |
| 231 | I | 97.8 | Very high | 96 | Very high | 90 Ų | 90 | 47 Ų | 47 | 46% | 0.462 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -51 | 178.9 | -69.3 | 165.9 | 0 | 0 | 0 | 110.9 | I227 W228 S233 I234 L235 | I227-I231 HydrophobicContact CG2-CD1 3.77Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.5Å; I227-I231 PolarHBondContact O-N 2.69Å; W228-I231 PolarHBondContact O-N 3.44Å; I231-S233 VanDerWaalsContact C-N 3.31Å; I231-S233 PolarHBondContact O-N 3.34Å; I231-I234 PolarHBondContact O-N 3.04Å; I231-L235 HydrophobicContact CG2-CD1 4.18Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.31Å; I231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | W | 98.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | -178.1 | -73 | 111.8 | 0 | 0 | 0 | 112.6 | W228 I229 G230 L235 C236 L506 L509 I513 | W228-W232 AromaticContact CD2-CD1 3.72Å; W228-W232 AromaticContact CD2-NE1 3.56Å; W228-W232 AromaticContact CE2-CD1 3.52Å; W228-W232 AromaticContact CE2-NE1 3.24Å; W228-W232 AromaticContact CE3-NE1 3.75Å; W228-W232 HydrophobicContact CH2-CZ2 4.28Å; W228-W232 AromaticContact CH2-NE1 3.39Å; W228-W232 AromaticContact CZ2-CD1 3.92Å; W228-W232 HydrophobicContact CZ2-CZ2 4.49Å; W228-W232 AromaticContact CZ2-NE1 3.17Å; W228-W232 AromaticContact CZ3-NE1 3.68Å; W228-W232 AromaticContact NE1-CD1 3.71Å; W228-W232 AromaticContact NE1-NE1 3.89Å; W228-W232 PolarHBondContact O-N 2.92Å; W228-W232 VanDerWaalsContact O-N 3.14Å; I229-W232 PolarHBondContact O-N 3.49Å; G230-W232 PolarHBondContact O-N 3.05Å; W232-L235 HydrophobicContact CE3-CD1 4.11Å; W232-L235 HydrophobicContact CZ3-CD1 4.27Å; W232-C236 WeakPolarHBondContact O-CB 3.24Å; W232-C236 PolarHBondContact O-N 3.21Å; W232-L506 HydrophobicContact CD2-CD1 3.51Å; W232-L506 HydrophobicContact CE3-CD1 3.85Å; W232-L506 HydrophobicContact CG-CD1 4.05Å; W232-L506 HydrophobicContact CH2-CD1 3.88Å; W232-L506 HydrophobicContact CZ2-CD1 3.54Å; W232-L506 HydrophobicContact CZ3-CD1 4.03Å; W232-L509 HydrophobicContact CB-CB 4.34Å; W232-L509 HydrophobicContact CB-CD1 3.69Å; W232-I513 HydrophobicContact CE3-CD1 3.48Å; W232-I513 VanDerWaalsContact CE3-CD1 3.48Å; W232-I513 HydrophobicContact CZ3-CD1 3.79Å |
| 233 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -38.6 | 176.9 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | I229 G230 I231 C236 C237 S272 I276 | I229-S233 WeakPolarHBondContact O-CB 3.45Å; I229-S233 PolarHBondContact O-N 2.79Å; I229-S233 PolarHBondContact O-OG 3.01Å; G230-S233 WeakPolarHBondContact CA-OG 3.28Å; G230-S233 PolarHBondContact O-N 2.91Å; G230-S233 PolarHBondContact O-OG 2.92Å; I231-S233 VanDerWaalsContact C-N 3.31Å; I231-S233 PolarHBondContact O-N 3.34Å; S233-C236 PolarHBondContact O-N 3.44Å; S233-C237 WeakPolarHBondContact O-CB 3.26Å; S233-C237 PolarHBondContact O-N 3.16Å; S233-S272 WeakPolarHBondContact O-CB 3.2Å; S233-I276 WeakPolarHBondContact OG-CG1 3.25Å |
| 234 | I | 98 | Very high | 95.9 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -47 | 173.6 | -68.9 | 166.2 | 0 | 0 | 0 | 110.8 | G230 I231 C236 C237 A238 I276 | G230-I234 VanDerWaalsContact O-CG1 3.29Å; G230-I234 WeakPolarHBondContact O-CG1 3.29Å; G230-I234 PolarHBondContact O-N 2.92Å; I231-I234 PolarHBondContact O-N 3.04Å; I234-C236 VanDerWaalsContact C-N 3.34Å; I234-C236 PolarHBondContact O-N 3.47Å; I234-C237 PolarHBondContact O-N 2.76Å; I234-A238 WeakPolarHBondContact O-CB 3.42Å; I234-A238 PolarHBondContact O-N 3.24Å; I234-I276 HydrophobicContact CG1-CD1 4.21Å; I234-I276 HydrophobicContact CG1-CG1 4.19Å |
| 235 | L | 96.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 47% | 0.471 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.3 | -68.7 | 175.1 | 0 | 0 | 0 | 111.8 | I231 W232 S239 I513 | I231-L235 HydrophobicContact CG2-CD1 4.18Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.31Å; I231-L235 VanDerWaalsContact O-N 3.08Å; W232-L235 HydrophobicContact CE3-CD1 4.11Å; W232-L235 HydrophobicContact CZ3-CD1 4.27Å; L235-S239 VanDerWaalsContact O-CB 3.3Å; L235-S239 WeakPolarHBondContact O-CB 3.28Å; L235-S239 PolarHBondContact O-N 3.5Å; L235-I513 HydrophobicContact CB-CD1 3.97Å; L235-I513 HydrophobicContact CB-CG1 4.47Å |
| 236 | C | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | W232 S233 I234 S239 T240 S272 L509 I513 | W232-C236 WeakPolarHBondContact O-CB 3.24Å; W232-C236 PolarHBondContact O-N 3.21Å; S233-C236 PolarHBondContact O-N 3.44Å; I234-C236 VanDerWaalsContact C-N 3.34Å; I234-C236 PolarHBondContact O-N 3.47Å; C236-S239 PolarHBondContact O-N 2.95Å; C236-T240 WeakPolarHBondContact O-CB 3.29Å; C236-T240 VanDerWaalsContact O-CG2 3.25Å; C236-T240 WeakPolarHBondContact O-CG2 3.35Å; C236-T240 PolarHBondContact O-N 2.83Å; C236-T240 PolarHBondContact O-OG1 2.83Å; C236-S272 VanDerWaalsContact CB-OG 3.31Å; C236-S272 WeakPolarHBondContact CB-OG 3.33Å; C236-S272 PolarHBondContact SG-OG 3.42Å; C236-L509 HydrophobicContact CB-CB 4.38Å; C236-L509 HydrophobicContact CB-CD2 4.17Å; C236-L509 PolarHBondContact SG-O 2.97Å; C236-L509 VanDerWaalsContact SG-O 3.36Å; C236-I513 HydrophobicContact CB-CD1 4.38Å; C236-I513 HydrophobicContact CB-CG1 3.84Å |
| 237 | C | 97.6 | Very high | 95 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 177.4 | -170.6 | 0 | 0 | 0 | 0 | 111 | S233 I234 S239 T240 L241 I276 | S233-C237 WeakPolarHBondContact O-CB 3.26Å; S233-C237 PolarHBondContact O-N 3.16Å; I234-C237 PolarHBondContact O-N 2.76Å; C237-S239 PolarHBondContact O-N 3.48Å; C237-T240 PolarHBondContact O-N 2.96Å; C237-T240 PolarHBondContact O-OG1 3.13Å; C237-L241 WeakPolarHBondContact O-CB 3.46Å; C237-L241 PolarHBondContact O-N 3.06Å; C237-I276 HydrophobicContact CB-CD1 3.9Å |
| 238 | A | 95.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 51% | 0.512 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I234 F242 | I234-A238 WeakPolarHBondContact O-CB 3.42Å; I234-A238 PolarHBondContact O-N 3.24Å; A238-F242 VanDerWaalsContact O-CB 3.31Å; A238-F242 WeakPolarHBondContact O-CB 3.48Å; A238-F242 PolarHBondContact O-N 3.37Å |
| 239 | S | 95.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | 180 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | L235 C236 C237 T243 I513 G516 | L235-S239 VanDerWaalsContact O-CB 3.3Å; L235-S239 WeakPolarHBondContact O-CB 3.28Å; L235-S239 PolarHBondContact O-N 3.5Å; C236-S239 PolarHBondContact O-N 2.95Å; C237-S239 PolarHBondContact O-N 3.48Å; S239-T243 PolarHBondContact O-N 3.29Å; S239-T243 PolarHBondContact O-OG1 3.43Å; S239-T243 VanDerWaalsContact O-OG1 3.09Å; S239-I513 PolarHBondContact OG-O 2.92Å; S239-G516 VanDerWaalsContact OG-CA 3.27Å; S239-G516 WeakPolarHBondContact OG-CA 3.39Å; S239-G516 PolarHBondContact OG-N 2.04Å |
| 240 | T | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.9 | -37.7 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | C236 C237 T243 V244 S265 T269 G512 | C236-T240 WeakPolarHBondContact O-CB 3.29Å; C236-T240 VanDerWaalsContact O-CG2 3.25Å; C236-T240 WeakPolarHBondContact O-CG2 3.35Å; C236-T240 PolarHBondContact O-N 2.83Å; C236-T240 PolarHBondContact O-OG1 2.83Å; C237-T240 PolarHBondContact O-N 2.96Å; C237-T240 PolarHBondContact O-OG1 3.13Å; T240-T243 VanDerWaalsContact O-CB 3.26Å; T240-T243 WeakPolarHBondContact O-CB 3.2Å; T240-T243 PolarHBondContact O-N 3.42Å; T240-V244 WeakPolarHBondContact O-CG2 3.07Å; T240-V244 PolarHBondContact O-N 3.09Å; T240-S265 WeakPolarHBondContact CB-O 3.49Å; T240-T269 VanDerWaalsContact CB-OG1 3.25Å; T240-T269 WeakPolarHBondContact CB-OG1 3.44Å; T240-T269 WeakPolarHBondContact OG1-CA 3.28Å; T240-T269 PolarHBondContact OG1-N 2.92Å; T240-T269 PolarHBondContact OG1-OG1 2.99Å; T240-G512 VanDerWaalsContact CG2-O 3.25Å; T240-G512 WeakPolarHBondContact CG2-O 3.43Å |
| 241 | L | 93.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.4 | -178.6 | 61.9 | 0 | 0 | 0 | 110.8 | C237 T243 V244 L245 | C237-L241 WeakPolarHBondContact O-CB 3.46Å; C237-L241 PolarHBondContact O-N 3.06Å; L241-T243 PolarHBondContact O-N 3.13Å; L241-V244 PolarHBondContact O-N 3.31Å; L241-L245 HydrophobicContact CD1-CD1 4.29Å; L241-L245 HydrophobicContact CD1-CG 4.14Å; L241-L245 HydrophobicContact CG-CD1 3.94Å; L241-L245 HydrophobicContact CG-CG 4.25Å; L241-L245 WeakPolarHBondContact O-CB 3.29Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.15Å |
| 242 | F | 91.6 | Very high | 92 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -38 | 174.2 | 177.8 | -103.5 | 0 | 0 | 0 | 112.1 | A238 T246 W520 T524 W528 | A238-F242 VanDerWaalsContact O-CB 3.31Å; A238-F242 WeakPolarHBondContact O-CB 3.48Å; A238-F242 PolarHBondContact O-N 3.37Å; F242-T246 VanDerWaalsContact O-CB 3.31Å; F242-T246 WeakPolarHBondContact O-CB 3.35Å; F242-T246 PolarHBondContact O-N 3.36Å; F242-T246 PolarHBondContact O-OG1 3.18Å; F242-W520 AromaticContact CD1-NE1 3.9Å; F242-W520 AromaticContact CE1-CD1 3.81Å; F242-W520 AromaticContact CE1-NE1 3.75Å; F242-T524 HydrophobicContact CE1-CG2 4.16Å; F242-T524 HydrophobicContact CZ-CG2 3.83Å; F242-W528 HydrophobicContact CD2-CZ2 4.15Å; F242-W528 AromaticContact CE2-CE2 3.77Å; F242-W528 AromaticContact CE2-CZ2 3.9Å; F242-W528 HydrophobicContact CE2-CZ2 3.9Å; F242-W528 AromaticContact CE2-NE1 3.55Å; F242-W528 AromaticContact CZ-NE1 3.71Å |
| 243 | T | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -51.6 | 175 | -67 | 0 | 0 | 0 | 0 | 112 | S239 T240 L241 T246 Y247 S265 G516 I519 | S239-T243 PolarHBondContact O-N 3.29Å; S239-T243 PolarHBondContact O-OG1 3.43Å; S239-T243 VanDerWaalsContact O-OG1 3.09Å; T240-T243 VanDerWaalsContact O-CB 3.26Å; T240-T243 WeakPolarHBondContact O-CB 3.2Å; T240-T243 PolarHBondContact O-N 3.42Å; L241-T243 PolarHBondContact O-N 3.13Å; T243-T246 PolarHBondContact O-N 3.36Å; T243-Y247 PolarHBondContact O-N 3.41Å; T243-Y247 VanDerWaalsContact O-N 3.07Å; T243-S265 WeakPolarHBondContact CG2-OG 3.43Å; T243-G516 WeakPolarHBondContact OG1-CA 3.44Å; T243-I519 HydrophobicContact CG2-CD1 3.16Å; T243-I519 HydrophobicContact CG2-CG1 4.31Å |
| 244 | V | 92 | Very high | 90.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L10 T240 L241 T246 Y247 L248 | L10-V244 HydrophobicContact CD1-CG1 4.45Å; T240-V244 WeakPolarHBondContact O-CG2 3.07Å; T240-V244 PolarHBondContact O-N 3.09Å; L241-V244 PolarHBondContact O-N 3.31Å; V244-T246 PolarHBondContact O-N 3.25Å; V244-Y247 WeakPolarHBondContact O-CB 3.27Å; V244-Y247 PolarHBondContact O-N 2.62Å; V244-Y247 VanDerWaalsContact O-N 3.15Å; V244-L248 HydrophobicContact CG1-CD1 4.35Å; V244-L248 WeakPolarHBondContact O-CG 3.45Å; V244-L248 PolarHBondContact O-N 3.25Å |
| 245 | L | 89.9 | Confident | 89.9 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 177.2 | -69.5 | 175.2 | 0 | 0 | 0 | 112 | L241 Y247 L248 V249 W528 | L241-L245 HydrophobicContact CD1-CD1 4.29Å; L241-L245 HydrophobicContact CD1-CG 4.14Å; L241-L245 HydrophobicContact CG-CD1 3.94Å; L241-L245 HydrophobicContact CG-CG 4.25Å; L241-L245 WeakPolarHBondContact O-CB 3.29Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.15Å; L245-Y247 PolarHBondContact O-N 3.21Å; L245-L248 PolarHBondContact O-N 3.47Å; L245-L248 VanDerWaalsContact O-N 3.13Å; L245-V249 WeakPolarHBondContact O-CG2 3.12Å; L245-V249 PolarHBondContact O-N 2.88Å; L245-W528 HydrophobicContact CB-CH2 4.15Å; L245-W528 HydrophobicContact CB-CZ2 4.05Å |
| 246 | T | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | F242 T243 V244 D250 F254 I519 T524 W528 | F242-T246 VanDerWaalsContact O-CB 3.31Å; F242-T246 WeakPolarHBondContact O-CB 3.35Å; F242-T246 PolarHBondContact O-N 3.36Å; F242-T246 PolarHBondContact O-OG1 3.18Å; T243-T246 PolarHBondContact O-N 3.36Å; V244-T246 PolarHBondContact O-N 3.25Å; T246-D250 PolarHBondContact O-N 3.09Å; T246-F254 HydrophobicContact CG2-CE2 4.37Å; T246-F254 HydrophobicContact CG2-CZ 4.32Å; T246-I519 HydrophobicContact CG2-CG2 3.59Å; T246-T524 HydrophobicContact CG2-CG2 3.8Å; T246-W528 PolarHBondContact OG1-NE1 2.98Å |
| 247 | Y | 87.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 173.7 | 171.7 | -103.1 | 0 | 0 | 0 | 112.4 | A3 T243 V244 L245 V249 D250 M251 F254 V262 | A3-Y247 HydrophobicContact CB-CE1 3.61Å; A3-Y247 WeakPolarHBondContact CB-OH 3.31Å; T243-Y247 PolarHBondContact O-N 3.41Å; T243-Y247 VanDerWaalsContact O-N 3.07Å; V244-Y247 WeakPolarHBondContact O-CB 3.27Å; V244-Y247 PolarHBondContact O-N 2.62Å; V244-Y247 VanDerWaalsContact O-N 3.15Å; L245-Y247 PolarHBondContact O-N 3.21Å; Y247-V249 VanDerWaalsContact C-N 3.27Å; Y247-V249 PolarHBondContact O-N 3.36Å; Y247-D250 CarbonylContact O-C 3.42Å; Y247-D250 PolarHBondContact O-N 3.21Å; Y247-D250 VanDerWaalsContact O-N 3.17Å; Y247-M251 HydrophobicContact CE1-CE 3.66Å; Y247-M251 HydrophobicContact CE1-CG 4.49Å; Y247-M251 HydrophobicContact CE2-CB 4.28Å; Y247-M251 VanDerWaalsContact O-CA 3.29Å; Y247-M251 WeakPolarHBondContact O-CA 3.18Å; Y247-M251 VanDerWaalsContact O-CG 3.31Å; Y247-M251 WeakPolarHBondContact O-CG 3.47Å; Y247-M251 PolarHBondContact O-N 2.93Å; Y247-F254 HydrophobicContact CD2-CB 3.75Å; Y247-F254 AromaticContact CD2-CD2 3.6Å; Y247-F254 HydrophobicContact CD2-CD2 3.6Å; Y247-F254 HydrophobicContact CD2-CE2 4.48Å; Y247-F254 AromaticContact CD2-CG 3.95Å; Y247-F254 HydrophobicContact CD2-CG 3.95Å; Y247-F254 HydrophobicContact CE2-CB 3.93Å; Y247-F254 HydrophobicContact CE2-CD2 4.46Å; Y247-F254 HydrophobicContact CG-CD2 4.44Å; Y247-V262 HydrophobicContact CD1-CG1 3.68Å; Y247-V262 HydrophobicContact CD2-CG1 4.13Å; Y247-V262 HydrophobicContact CD2-CG2 3.92Å; Y247-V262 HydrophobicContact CE1-CG1 4.29Å; Y247-V262 HydrophobicContact CG-CB 4.41Å; Y247-V262 HydrophobicContact CG-CG1 3.57Å; Y247-V262 HydrophobicContact CG-CG2 4.09Å |
| 248 | L | 87.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -34.4 | 178.3 | -65.7 | 177.6 | 0 | 0 | 0 | 112.4 | A7 V244 L245 | A7-L248 HydrophobicContact CB-CD2 3.76Å; V244-L248 HydrophobicContact CG1-CD1 4.35Å; V244-L248 WeakPolarHBondContact O-CG 3.45Å; V244-L248 PolarHBondContact O-N 3.25Å; L245-L248 PolarHBondContact O-N 3.47Å; L245-L248 VanDerWaalsContact O-N 3.13Å |
| 249 | V | 86.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 29% | 0.291 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.2 | -36.3 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 112 | L245 Y247 F531 | L245-V249 WeakPolarHBondContact O-CG2 3.12Å; L245-V249 PolarHBondContact O-N 2.88Å; Y247-V249 VanDerWaalsContact C-N 3.27Å; Y247-V249 PolarHBondContact O-N 3.36Å; V249-F531 HydrophobicContact CG1-CB 3.9Å; V249-F531 HydrophobicContact CG1-CD2 4.24Å; V249-F531 HydrophobicContact CG1-CG 4.16Å; V249-F531 HydrophobicContact CG2-CD1 4.48Å; V249-F531 HydrophobicContact CG2-CD2 4.31Å; V249-F531 HydrophobicContact CG2-CG 4.29Å |
| 250 | D | 82.3 | Confident | 88.3 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | trans | -143.2 | 76.4 | -176.2 | -168.3 | -4.9 | 0 | 0 | 0 | 112.1 | T246 Y247 K252 R253 S527 | T246-D250 PolarHBondContact O-N 3.09Å; Y247-D250 CarbonylContact O-C 3.42Å; Y247-D250 PolarHBondContact O-N 3.21Å; Y247-D250 VanDerWaalsContact O-N 3.17Å; D250-K252 VanDerWaalsContact C-N 3.31Å; D250-K252 PolarHBondContact O-N 2.85Å; D250-R253 HydrophobicContact CB-CB 4.31Å; D250-R253 WeakPolarHBondContact O-CB 3.47Å; D250-R253 PolarHBondContact O-N 3.16Å; D250-S527 PolarHBondContact OD2-OG 2.89Å | ||
| 251 | M | 84.4 | Confident | 88.1 | Confident | 70 Ų | 70 | 40.5 Ų | 40.5 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -67.6 | -31.1 | -173.8 | -54.1 | -177.8 | 89.1 | 0 | 0 | 113.1 | A3 Y247 R253 F254 | A3-M251 HydrophobicContact CB-CE 3.01Å; Y247-M251 HydrophobicContact CE1-CE 3.66Å; Y247-M251 HydrophobicContact CE1-CG 4.49Å; Y247-M251 HydrophobicContact CE2-CB 4.28Å; Y247-M251 VanDerWaalsContact O-CA 3.29Å; Y247-M251 WeakPolarHBondContact O-CA 3.18Å; Y247-M251 VanDerWaalsContact O-CG 3.31Å; Y247-M251 WeakPolarHBondContact O-CG 3.47Å; Y247-M251 PolarHBondContact O-N 2.93Å; M251-R253 PolarHBondContact O-N 3.1Å; M251-F254 PolarHBondContact O-N 3.32Å |
| 252 | K | 81.8 | Confident | 88.1 | Confident | 191 Ų | 191 | 37.7 Ų | 37.7 | 83% | 0.83 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -69.8 | -21 | -178.1 | -66.7 | -172.4 | 178.5 | -175.7 | 0 | 112.3 | D250 F254 | D250-K252 VanDerWaalsContact C-N 3.31Å; D250-K252 PolarHBondContact O-N 2.85Å; K252-F254 VanDerWaalsContact C-N 3.33Å; K252-F254 PolarHBondContact O-N 2.92Å |
| 253 | R | 81.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -68 | -30.6 | 179.5 | 179.8 | 177.1 | 169.2 | -166.6 | -8.2 | 113.4 | D250 M251 S521 T524 | D250-R253 HydrophobicContact CB-CB 4.31Å; D250-R253 WeakPolarHBondContact O-CB 3.47Å; D250-R253 PolarHBondContact O-N 3.16Å; M251-R253 PolarHBondContact O-N 3.1Å; R253-S521 PolarHBondContact NH2-OG 3.39Å; R253-T524 VanDerWaalsContact NH1-CA 3.26Å; R253-T524 PolarHBondContact NH1-OG1 2.91Å; R253-T524 PolarHBondContact NH2-OG1 3.15Å |
| 254 | F | 82.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | -108.7 | 74.4 | -172.2 | -60.2 | -86 | 0 | 0 | 0 | 111.1 | T246 Y247 M251 K252 V262 I519 | T246-F254 HydrophobicContact CG2-CE2 4.37Å; T246-F254 HydrophobicContact CG2-CZ 4.32Å; Y247-F254 HydrophobicContact CD2-CB 3.75Å; Y247-F254 AromaticContact CD2-CD2 3.6Å; Y247-F254 HydrophobicContact CD2-CD2 3.6Å; Y247-F254 HydrophobicContact CD2-CE2 4.48Å; Y247-F254 AromaticContact CD2-CG 3.95Å; Y247-F254 HydrophobicContact CD2-CG 3.95Å; Y247-F254 HydrophobicContact CE2-CB 3.93Å; Y247-F254 HydrophobicContact CE2-CD2 4.46Å; Y247-F254 HydrophobicContact CG-CD2 4.44Å; M251-F254 PolarHBondContact O-N 3.32Å; K252-F254 VanDerWaalsContact C-N 3.33Å; K252-F254 PolarHBondContact O-N 2.92Å; F254-V262 HydrophobicContact CB-CG2 4.42Å; F254-V262 HydrophobicContact CD1-CG2 4.46Å; F254-V262 HydrophobicContact CG-CG2 4.38Å; F254-I519 HydrophobicContact CE1-CD1 4.01Å; F254-I519 HydrophobicContact CE1-CG1 4.07Å; F254-I519 HydrophobicContact CZ-CD1 3.93Å; F254-I519 HydrophobicContact CZ-CG1 4.21Å; F254-I519 HydrophobicContact CZ-CG2 4.22Å | ||
| 255 | S | 86.2 | Confident | 88.6 | Confident | 43 Ų | 43 | 34 Ų | 34 | 30% | 0.301 | 17% | 0.168 | S | C | . | . | trans | -79.9 | 164.5 | 172.4 | -62.7 | 0 | 0 | 0 | 0 | 111 | E258 R259 | S255-E258 PolarHBondContact O-N 3.2Å; S255-R259 PolarHBondContact O-N 3.34Å | ||
| 256 | Y | 89.9 | Confident | 88.9 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 143.2 | 167.7 | -76.5 | -83.9 | 0 | 0 | 0 | 109.9 | R259 P260 T331 H342 I345 E346 S349 F352 | Y256-R259 HydrophobicContact CD1-CB 4.29Å; Y256-R259 HydrophobicContact CD2-CB 4.41Å; Y256-R259 HydrophobicContact CE1-CB 4.31Å; Y256-R259 HydrophobicContact CE2-CB 4.43Å; Y256-R259 HydrophobicContact CG-CB 4.35Å; Y256-P260 HydrophobicContact CD1-CG 4.35Å; Y256-P260 HydrophobicContact CE1-CG 4.07Å; Y256-T331 HydrophobicContact CD1-CG2 4.14Å; Y256-T331 HydrophobicContact CE1-CG2 4.47Å; Y256-H342 WeakPolarHBondContact O-CB 3.44Å; Y256-I345 HydrophobicContact CD1-CG2 3.71Å; Y256-I345 HydrophobicContact CG-CB 4.49Å; Y256-I345 HydrophobicContact CG-CG2 3.79Å; Y256-E346 HydrophobicContact CD2-CB 3.83Å; Y256-E346 HydrophobicContact CD2-CG 4.08Å; Y256-E346 HydrophobicContact CE2-CB 4.38Å; Y256-E346 HydrophobicContact CE2-CG 4.27Å; Y256-S349 WeakPolarHBondContact OH-CB 3.37Å; Y256-F352 HydrophobicContact CE1-CD2 4.05Å; Y256-F352 HydrophobicContact CE1-CE2 4.41Å |
| 257 | P | 87.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 30.7 Ų | 30.7 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.6 | 2 | 10 | 35.4 | -36.8 | 0 | 0 | 0 | 115.7 | P260 T331 A335 I345 I442 | P257-P260 WeakPolarHBondContact O-CD 3.31Å; P257-T331 PolarHBondContact O-OG1 3.48Å; P257-A335 HydrophobicContact CB-CB 4.49Å; P257-A335 HydrophobicContact CG-CB 4.12Å; P257-I345 HydrophobicContact CB-CD1 4.4Å; P257-I442 HydrophobicContact CG-CD1 3.97Å |
| 258 | E | 87.1 | Confident | 89.8 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -25.4 | -175.6 | -65 | -179.3 | -133.9 | 0 | 0 | 113.8 | S255 I261 L438 I442 | S255-E258 PolarHBondContact O-N 3.2Å; E258-I261 WeakPolarHBondContact O-CB 3.37Å; E258-I261 WeakPolarHBondContact O-CG1 3.48Å; E258-I261 PolarHBondContact O-N 2.98Å; E258-L438 HydrophobicContact CG-CD1 4.2Å; E258-L438 WeakPolarHBondContact OE1-CD1 3.39Å; E258-L438 WeakPolarHBondContact OE1-CD2 3.43Å; E258-I442 HydrophobicContact CG-CD1 3.76Å; E258-I442 HydrophobicContact CG-CG1 4.4Å |
| 259 | R | 90.8 | Very high | 90.3 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -51.8 | -37.2 | -174.6 | -162.4 | 173 | 177 | 173.6 | -5.8 | 115.9 | S255 Y256 I261 V262 F263 E346 | S255-R259 PolarHBondContact O-N 3.34Å; Y256-R259 HydrophobicContact CD1-CB 4.29Å; Y256-R259 HydrophobicContact CD2-CB 4.41Å; Y256-R259 HydrophobicContact CE1-CB 4.31Å; Y256-R259 HydrophobicContact CE2-CB 4.43Å; Y256-R259 HydrophobicContact CG-CB 4.35Å; R259-I261 PolarHBondContact O-N 2.92Å; R259-V262 WeakPolarHBondContact O-CB 3.24Å; R259-V262 PolarHBondContact O-N 3.43Å; R259-F263 HydrophobicContact CG-CE2 3.85Å; R259-F263 HydrophobicContact CG-CZ 4.49Å; R259-E346 IonicContact NH1-OE1 2.72Å; R259-E346 PolarHBondContact NH1-OE1 3.38Å |
| 260 | P | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.1 | -30.3 | 174.1 | -28.6 | 38.3 | 0 | 0 | 0 | 114.8 | Y256 P257 V262 F263 L264 W324 I327 L328 | Y256-P260 HydrophobicContact CD1-CG 4.35Å; Y256-P260 HydrophobicContact CE1-CG 4.07Å; P257-P260 WeakPolarHBondContact O-CD 3.31Å; P260-V262 PolarHBondContact O-N 3.48Å; P260-F263 PolarHBondContact O-N 2.58Å; P260-L264 WeakPolarHBondContact O-CB 3.48Å; P260-L264 PolarHBondContact O-N 2.84Å; P260-W324 HydrophobicContact CB-CE3 4Å; P260-W324 HydrophobicContact CB-CZ3 4.47Å; P260-I327 HydrophobicContact CB-CG2 4.47Å; P260-I327 HydrophobicContact CG-CG2 4.03Å; P260-L328 HydrophobicContact CB-CB 3.97Å; P260-L328 HydrophobicContact CB-CD1 4.2Å; P260-L328 HydrophobicContact CG-CD1 4.48Å |
| 261 | I | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.7 | -60.5 | 174.7 | 0 | 0 | 0 | 110.5 | E258 R259 L264 S265 L328 F445 W518 | E258-I261 WeakPolarHBondContact O-CB 3.37Å; E258-I261 WeakPolarHBondContact O-CG1 3.48Å; E258-I261 PolarHBondContact O-N 2.98Å; R259-I261 PolarHBondContact O-N 2.92Å; I261-L264 PolarHBondContact O-N 2.99Å; I261-S265 PolarHBondContact O-N 3.12Å; I261-S265 PolarHBondContact O-OG 2.89Å; I261-S265 VanDerWaalsContact O-OG 3.05Å; I261-L328 HydrophobicContact CD1-CD1 4.35Å; I261-L328 HydrophobicContact CG1-CD1 3.89Å; I261-L328 HydrophobicContact CG1-CD2 3.87Å; I261-F445 HydrophobicContact CD1-CD1 4.01Å; I261-F445 HydrophobicContact CD1-CE1 4.12Å; I261-F445 HydrophobicContact CG1-CD1 4.27Å; I261-F445 HydrophobicContact CG1-CE1 3.96Å; I261-F445 HydrophobicContact CG2-CE1 4.21Å; I261-F445 HydrophobicContact CG2-CZ 4.26Å; I261-W518 HydrophobicContact CD1-CD2 3.99Å; I261-W518 HydrophobicContact CD1-CG 4.13Å; I261-W518 HydrophobicContact CD1-CZ2 4.19Å |
| 262 | V | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | Y247 F254 R259 P260 L264 S265 G266 | Y247-V262 HydrophobicContact CD1-CG1 3.68Å; Y247-V262 HydrophobicContact CD2-CG1 4.13Å; Y247-V262 HydrophobicContact CD2-CG2 3.92Å; Y247-V262 HydrophobicContact CE1-CG1 4.29Å; Y247-V262 HydrophobicContact CG-CB 4.41Å; Y247-V262 HydrophobicContact CG-CG1 3.57Å; Y247-V262 HydrophobicContact CG-CG2 4.09Å; F254-V262 HydrophobicContact CB-CG2 4.42Å; F254-V262 HydrophobicContact CD1-CG2 4.46Å; F254-V262 HydrophobicContact CG-CG2 4.38Å; R259-V262 WeakPolarHBondContact O-CB 3.24Å; R259-V262 PolarHBondContact O-N 3.43Å; P260-V262 PolarHBondContact O-N 3.48Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-S265 PolarHBondContact O-N 3.34Å; V262-G266 PolarHBondContact O-N 3.18Å |
| 263 | F | 95.5 | Very high | 93 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.4 | -64.4 | -61.4 | 0 | 0 | 0 | 111.6 | F6 R259 P260 G266 C267 W324 H353 | F6-F263 HydrophobicContact CB-CE1 4.22Å; F6-F263 AromaticContact CD1-CD1 3.7Å; F6-F263 HydrophobicContact CD1-CD1 3.7Å; F6-F263 AromaticContact CD1-CE1 3.62Å; F6-F263 HydrophobicContact CD1-CE1 3.62Å; F6-F263 HydrophobicContact CD2-CD1 4.32Å; F6-F263 HydrophobicContact CD2-CE1 4.42Å; F6-F263 AromaticContact CE1-CD1 3.54Å; F6-F263 HydrophobicContact CE1-CD1 3.54Å; F6-F263 AromaticContact CE1-CE1 3.97Å; F6-F263 HydrophobicContact CE1-CE1 3.97Å; F6-F263 HydrophobicContact CE2-CD1 4.16Å; F6-F263 HydrophobicContact CG-CD1 4.06Å; F6-F263 AromaticContact CG-CE1 3.84Å; F6-F263 HydrophobicContact CG-CE1 3.84Å; F6-F263 AromaticContact CZ-CD1 3.77Å; F6-F263 HydrophobicContact CZ-CD1 3.77Å; F6-F263 HydrophobicContact CZ-CE1 4.49Å; R259-F263 HydrophobicContact CG-CE2 3.85Å; R259-F263 HydrophobicContact CG-CZ 4.49Å; P260-F263 PolarHBondContact O-N 2.58Å; F263-G266 PolarHBondContact O-N 3.29Å; F263-C267 PolarHBondContact O-N 2.96Å; F263-C267 PolarHBondContact O-SG 3.36Å; F263-W324 HydrophobicContact CB-CD2 3.63Å; F263-W324 VanDerWaalsContact CB-CE2 3.5Å; F263-W324 HydrophobicContact CB-CE3 4.12Å; F263-W324 HydrophobicContact CB-CG 3.99Å; F263-W324 HydrophobicContact CB-CH2 4.38Å; F263-W324 HydrophobicContact CB-CZ2 3.91Å; F263-W324 HydrophobicContact CB-CZ3 4.47Å; F263-W324 HydrophobicContact CD1-CZ2 4.38Å; F263-W324 HydrophobicContact CD2-CD2 4.4Å; F263-W324 HydrophobicContact CD2-CE3 4.13Å; F263-W324 AromaticContact CD2-CH2 3.55Å; F263-W324 HydrophobicContact CD2-CH2 3.55Å; F263-W324 AromaticContact CD2-CZ2 3.83Å; F263-W324 HydrophobicContact CD2-CZ2 3.83Å; F263-W324 AromaticContact CD2-CZ3 3.7Å; F263-W324 HydrophobicContact CD2-CZ3 3.7Å; F263-W324 HydrophobicContact CE2-CH2 4Å; F263-W324 HydrophobicContact CE2-CZ2 4.48Å; F263-W324 HydrophobicContact CE2-CZ3 4.36Å; F263-W324 HydrophobicContact CG-CD2 4.31Å; F263-W324 AromaticContact CG-CE2 3.94Å; F263-W324 HydrophobicContact CG-CE3 4.5Å; F263-W324 HydrophobicContact CG-CH2 4.03Å; F263-W324 AromaticContact CG-CZ2 3.79Å; F263-W324 HydrophobicContact CG-CZ2 3.79Å; F263-W324 HydrophobicContact CG-CZ3 4.36Å; F263-H353 AromaticContact CE1-CE1 3.73Å; F263-H353 AromaticContact CE2-CE1 3.49Å; F263-H353 VanDerWaalsContact CE2-CE1 3.49Å; F263-H353 WeakPolarHBondContact CE2-CE1 3.44Å; F263-H353 AromaticContact CE2-NE2 3.71Å; F263-H353 AromaticContact CZ-CE1 3.3Å; F263-H353 WeakPolarHBondContact CZ-CE1 3.24Å; F263-H353 AromaticContact CZ-NE2 3.68Å |
| 264 | L | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 172 | -178.3 | 149.8 | 0 | 0 | 0 | 111 | P260 I261 V262 G266 C267 Y268 W324 W325 Y449 V511 | P260-L264 WeakPolarHBondContact O-CB 3.48Å; P260-L264 PolarHBondContact O-N 2.84Å; I261-L264 PolarHBondContact O-N 2.99Å; V262-L264 VanDerWaalsContact C-N 3.34Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-G266 PolarHBondContact O-N 3.46Å; L264-C267 WeakPolarHBondContact O-CB 3.25Å; L264-C267 PolarHBondContact O-N 3.29Å; L264-Y268 HydrophobicContact CD2-CD2 3.65Å; L264-Y268 HydrophobicContact CD2-CE2 3.78Å; L264-Y268 HydrophobicContact CG-CD2 4.06Å; L264-Y268 HydrophobicContact CG-CE2 3.99Å; L264-Y268 VanDerWaalsContact O-CD2 3.31Å; L264-Y268 WeakPolarHBondContact O-CD2 3.43Å; L264-Y268 PolarHBondContact O-N 2.98Å; L264-W324 HydrophobicContact CB-CB 4.28Å; L264-W325 HydrophobicContact CD1-CB 4.05Å; L264-Y449 HydrophobicContact CD1-CD2 4.08Å; L264-Y449 HydrophobicContact CD1-CE2 3.81Å; L264-V511 HydrophobicContact CD2-CG1 4.27Å |
| 265 | S | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | T240 T243 I261 V262 C267 Y268 T269 S515 | T240-S265 WeakPolarHBondContact CB-O 3.49Å; T243-S265 WeakPolarHBondContact CG2-OG 3.43Å; I261-S265 PolarHBondContact O-N 3.12Å; I261-S265 PolarHBondContact O-OG 2.89Å; I261-S265 VanDerWaalsContact O-OG 3.05Å; V262-S265 PolarHBondContact O-N 3.34Å; S265-C267 VanDerWaalsContact C-N 3.31Å; S265-C267 PolarHBondContact O-N 2.86Å; S265-Y268 CarbonylContact O-C 3.57Å; S265-Y268 PolarHBondContact O-N 3.43Å; S265-Y268 VanDerWaalsContact O-N 3.1Å; S265-T269 PolarHBondContact O-N 3.27Å; S265-T269 PolarHBondContact O-OG1 2.94Å; S265-T269 VanDerWaalsContact O-OG1 3.09Å; S265-S515 VanDerWaalsContact OG-CB 3.24Å; S265-S515 WeakPolarHBondContact OG-CB 3.28Å; S265-S515 PolarHBondContact OG-OG 3.46Å |
| 266 | G | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V262 F263 L264 T269 M270 | V262-G266 PolarHBondContact O-N 3.18Å; F263-G266 PolarHBondContact O-N 3.29Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-G266 PolarHBondContact O-N 3.46Å; G266-T269 PolarHBondContact O-N 3.13Å; G266-M270 PolarHBondContact O-N 3.46Å |
| 267 | C | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 172.6 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | F263 L264 S265 T269 M270 V271 F317 | F263-C267 PolarHBondContact O-N 2.96Å; F263-C267 PolarHBondContact O-SG 3.36Å; L264-C267 WeakPolarHBondContact O-CB 3.25Å; L264-C267 PolarHBondContact O-N 3.29Å; S265-C267 VanDerWaalsContact C-N 3.31Å; S265-C267 PolarHBondContact O-N 2.86Å; C267-T269 VanDerWaalsContact C-N 3.33Å; C267-T269 PolarHBondContact O-N 2.99Å; C267-M270 PolarHBondContact O-N 3.5Å; C267-M270 VanDerWaalsContact O-N 3.17Å; C267-V271 WeakPolarHBondContact O-CG2 3.31Å; C267-V271 PolarHBondContact O-N 3.29Å; C267-F317 HydrophobicContact CB-CB 4.25Å; C267-F317 HydrophobicContact CB-CD1 4.28Å; C267-F317 WeakPolarHBondContact CB-O 3.29Å |
| 268 | Y | 97.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 10 Ų | 10 | 4% | 0.043 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.3 | -26.8 | 178.8 | -82.8 | -71.7 | 0 | 0 | 0 | 114 | L264 S265 M270 V271 S272 Y449 T508 V511 | L264-Y268 HydrophobicContact CD2-CD2 3.65Å; L264-Y268 HydrophobicContact CD2-CE2 3.78Å; L264-Y268 HydrophobicContact CG-CD2 4.06Å; L264-Y268 HydrophobicContact CG-CE2 3.99Å; L264-Y268 VanDerWaalsContact O-CD2 3.31Å; L264-Y268 WeakPolarHBondContact O-CD2 3.43Å; L264-Y268 PolarHBondContact O-N 2.98Å; S265-Y268 CarbonylContact O-C 3.57Å; S265-Y268 PolarHBondContact O-N 3.43Å; S265-Y268 VanDerWaalsContact O-N 3.1Å; Y268-M270 VanDerWaalsContact C-N 3.34Å; Y268-V271 HydrophobicContact CD1-CB 4.47Å; Y268-V271 HydrophobicContact CD1-CG1 4.49Å; Y268-S272 VanDerWaalsContact O-CB 3.28Å; Y268-S272 WeakPolarHBondContact O-CB 3.39Å; Y268-S272 PolarHBondContact O-N 3.3Å; Y268-S272 PolarHBondContact O-OG 2.91Å; Y268-Y449 HydrophobicContact CE2-CE2 4.42Å; Y268-T508 WeakPolarHBondContact CE1-O 3.41Å; Y268-V511 HydrophobicContact CD2-CG1 4.18Å; Y268-V511 HydrophobicContact CE1-CB 4.18Å; Y268-V511 HydrophobicContact CE1-CG1 4.44Å; Y268-V511 HydrophobicContact CE2-CB 3.94Å; Y268-V511 HydrophobicContact CE2-CG1 3.32Å; Y268-V511 VanDerWaalsContact CZ-CG1 3.47Å; Y268-V511 WeakPolarHBondContact OH-CB 3.38Å; Y268-V511 WeakPolarHBondContact OH-CG1 3.37Å |
| 269 | T | 97.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 5% | 0.049 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 168.6 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | T240 S265 G266 C267 S272 I273 | T240-T269 VanDerWaalsContact CB-OG1 3.25Å; T240-T269 WeakPolarHBondContact CB-OG1 3.44Å; T240-T269 WeakPolarHBondContact OG1-CA 3.28Å; T240-T269 PolarHBondContact OG1-N 2.92Å; T240-T269 PolarHBondContact OG1-OG1 2.99Å; S265-T269 PolarHBondContact O-N 3.27Å; S265-T269 PolarHBondContact O-OG1 2.94Å; S265-T269 VanDerWaalsContact O-OG1 3.09Å; G266-T269 PolarHBondContact O-N 3.13Å; C267-T269 VanDerWaalsContact C-N 3.33Å; C267-T269 PolarHBondContact O-N 2.99Å; T269-S272 PolarHBondContact O-N 2.72Å; T269-I273 HydrophobicContact CG2-CD1 3.95Å; T269-I273 VanDerWaalsContact O-CG1 3.28Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 3.42Å |
| 270 | M | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 177.8 | -62.7 | -56.5 | -74.4 | 0 | 0 | 112.6 | L10 L13 G266 C267 Y268 S272 I273 A274 M313 F317 | L10-M270 HydrophobicContact CD2-CG 4.05Å; L10-M270 HydrophobicContact CD2-SD 4.23Å; L13-M270 HydrophobicContact CB-CE 3.87Å; L13-M270 HydrophobicContact CD1-CE 4.4Å; L13-M270 HydrophobicContact CD2-CE 4.1Å; L13-M270 HydrophobicContact CG-CE 4.37Å; G266-M270 PolarHBondContact O-N 3.46Å; C267-M270 PolarHBondContact O-N 3.5Å; C267-M270 VanDerWaalsContact O-N 3.17Å; Y268-M270 VanDerWaalsContact C-N 3.34Å; M270-S272 VanDerWaalsContact C-N 3.28Å; M270-S272 PolarHBondContact O-N 3.07Å; M270-I273 PolarHBondContact O-N 3.38Å; M270-I273 HydrophobicContact SD-CD1 4.28Å; M270-A274 PolarHBondContact O-N 2.84Å; M270-M313 HydrophobicContact CB-CE 4.03Å; M270-M313 HydrophobicContact CB-CG 4.48Å; M270-M313 HydrophobicContact CE-CE 3.41Å; M270-M313 VanDerWaalsContact CE-CE 3.41Å; M270-M313 HydrophobicContact CE-CG 4.33Å; M270-M313 HydrophobicContact CE-SD 4.09Å; M270-M313 WeakPolarHBondContact O-CE 2.96Å; M270-M313 HydrophobicContact SD-CE 3.98Å; M270-F317 HydrophobicContact CB-CB 4.15Å; M270-F317 HydrophobicContact CB-CD1 4.08Å; M270-F317 HydrophobicContact CB-CD2 3.31Å; M270-F317 HydrophobicContact CB-CE1 4.36Å; M270-F317 HydrophobicContact CB-CE2 3.68Å; M270-F317 HydrophobicContact CB-CG 3.58Å; M270-F317 HydrophobicContact CB-CZ 4.19Å; M270-F317 HydrophobicContact CE-CE2 3.85Å; M270-F317 HydrophobicContact CE-CZ 4.26Å; M270-F317 HydrophobicContact CG-CD1 4.19Å; M270-F317 HydrophobicContact CG-CD2 3.89Å; M270-F317 HydrophobicContact CG-CE1 4.02Å; M270-F317 HydrophobicContact CG-CE2 3.74Å; M270-F317 HydrophobicContact CG-CG 4.16Å; M270-F317 HydrophobicContact CG-CZ 3.81Å |
| 271 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 173.2 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | C267 Y268 A274 Y275 L314 F317 S318 L509 | C267-V271 WeakPolarHBondContact O-CG2 3.31Å; C267-V271 PolarHBondContact O-N 3.29Å; Y268-V271 HydrophobicContact CD1-CB 4.47Å; Y268-V271 HydrophobicContact CD1-CG1 4.49Å; V271-A274 PolarHBondContact O-N 3.42Å; V271-Y275 HydrophobicContact CG1-CD2 3.97Å; V271-Y275 HydrophobicContact CG1-CE2 3.77Å; V271-Y275 VanDerWaalsContact O-CD2 3.29Å; V271-Y275 WeakPolarHBondContact O-CD2 3.5Å; V271-Y275 PolarHBondContact O-N 2.83Å; V271-L314 HydrophobicContact CB-CD1 4.38Å; V271-L314 HydrophobicContact CG1-CD1 3.74Å; V271-L314 HydrophobicContact CG2-CD1 4.38Å; V271-F317 HydrophobicContact CG2-CB 3.87Å; V271-S318 WeakPolarHBondContact CG2-OG 3.28Å; V271-L509 HydrophobicContact CG1-CD2 4.47Å |
| 272 | S | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 179.4 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | S233 C236 Y268 T269 M270 A274 Y275 I276 | S233-S272 WeakPolarHBondContact O-CB 3.2Å; C236-S272 VanDerWaalsContact CB-OG 3.31Å; C236-S272 WeakPolarHBondContact CB-OG 3.33Å; C236-S272 PolarHBondContact SG-OG 3.42Å; Y268-S272 VanDerWaalsContact O-CB 3.28Å; Y268-S272 WeakPolarHBondContact O-CB 3.39Å; Y268-S272 PolarHBondContact O-N 3.3Å; Y268-S272 PolarHBondContact O-OG 2.91Å; T269-S272 PolarHBondContact O-N 2.72Å; M270-S272 VanDerWaalsContact C-N 3.28Å; M270-S272 PolarHBondContact O-N 3.07Å; S272-A274 VanDerWaalsContact C-N 3.29Å; S272-A274 PolarHBondContact O-N 3.27Å; S272-Y275 PolarHBondContact O-N 2.76Å; S272-I276 VanDerWaalsContact O-CG1 3.26Å; S272-I276 WeakPolarHBondContact O-CG1 3.25Å; S272-I276 PolarHBondContact O-N 3.28Å |
| 273 | I | 98.1 | Very high | 96.1 | Very high | 33 Ų | 33 | 26 Ų | 26 | 17% | 0.169 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.7 | -69.8 | 162.8 | 0 | 0 | 0 | 110.9 | F14 T269 M270 Y275 I276 A277 M313 | F14-I273 HydrophobicContact CD2-CD1 4.1Å; F14-I273 HydrophobicContact CE2-CD1 3.36Å; F14-I273 HydrophobicContact CZ-CD1 3.92Å; T269-I273 HydrophobicContact CG2-CD1 3.95Å; T269-I273 VanDerWaalsContact O-CG1 3.28Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 3.42Å; M270-I273 PolarHBondContact O-N 3.38Å; M270-I273 HydrophobicContact SD-CD1 4.28Å; I273-Y275 PolarHBondContact O-N 3.21Å; I273-I276 PolarHBondContact O-N 3.09Å; I273-A277 WeakPolarHBondContact O-CB 3.31Å; I273-A277 PolarHBondContact O-N 3.02Å; I273-M313 HydrophobicContact CB-CE 3.46Å; I273-M313 VanDerWaalsContact CB-CE 3.46Å; I273-M313 HydrophobicContact CG2-CE 3.36Å |
| 274 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M270 V271 S272 A277 G278 M313 L314 V381 | M270-A274 PolarHBondContact O-N 2.84Å; V271-A274 PolarHBondContact O-N 3.42Å; S272-A274 VanDerWaalsContact C-N 3.29Å; S272-A274 PolarHBondContact O-N 3.27Å; A274-A277 PolarHBondContact O-N 2.8Å; A274-G278 PolarHBondContact O-N 2.85Å; A274-M313 HydrophobicContact CB-CB 4.42Å; A274-M313 HydrophobicContact CB-CE 4.5Å; A274-M313 HydrophobicContact CB-CG 4.09Å; A274-M313 HydrophobicContact CB-SD 4.28Å; A274-L314 HydrophobicContact CB-CB 4.2Å; A274-V381 VanDerWaalsContact O-CG1 3.26Å; A274-V381 WeakPolarHBondContact O-CG1 3.04Å |
| 275 | Y | 98.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 175.1 | -76.2 | -60.1 | 0 | 0 | 0 | 113.5 | I229 V271 S272 I273 A277 G278 F279 L314 V381 Y505 L509 | I229-Y275 HydrophobicContact CG2-CD1 3.64Å; I229-Y275 HydrophobicContact CG2-CE1 4.3Å; I229-Y275 HydrophobicContact CG2-CG 3.91Å; V271-Y275 HydrophobicContact CG1-CD2 3.97Å; V271-Y275 HydrophobicContact CG1-CE2 3.77Å; V271-Y275 VanDerWaalsContact O-CD2 3.29Å; V271-Y275 WeakPolarHBondContact O-CD2 3.5Å; V271-Y275 PolarHBondContact O-N 2.83Å; S272-Y275 PolarHBondContact O-N 2.76Å; I273-Y275 PolarHBondContact O-N 3.21Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; Y275-G278 PolarHBondContact O-N 3.41Å; Y275-F279 PolarHBondContact O-N 3.25Å; Y275-L314 HydrophobicContact CD2-CD1 4.22Å; Y275-L314 HydrophobicContact CE1-CD2 4.2Å; Y275-L314 HydrophobicContact CE2-CD1 3.6Å; Y275-V381 HydrophobicContact CD1-CG1 4.17Å; Y275-V381 HydrophobicContact CD1-CG2 4Å; Y275-V381 HydrophobicContact CE1-CG2 3.72Å; Y275-Y505 HydrophobicContact CE1-CD1 4.2Å; Y275-Y505 HydrophobicContact CE1-CE1 4.34Å; Y275-L509 HydrophobicContact CD2-CD2 3.95Å; Y275-L509 HydrophobicContact CE2-CD2 4.32Å |
| 276 | I | 98.2 | Very high | 95.7 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 172.8 | -68.7 | 165.4 | 0 | 0 | 0 | 109.9 | S233 I234 C237 S272 I273 G278 F279 L280 | S233-I276 WeakPolarHBondContact OG-CG1 3.25Å; I234-I276 HydrophobicContact CG1-CD1 4.21Å; I234-I276 HydrophobicContact CG1-CG1 4.19Å; C237-I276 HydrophobicContact CB-CD1 3.9Å; S272-I276 VanDerWaalsContact O-CG1 3.26Å; S272-I276 WeakPolarHBondContact O-CG1 3.25Å; S272-I276 PolarHBondContact O-N 3.28Å; I273-I276 PolarHBondContact O-N 3.09Å; I276-G278 VanDerWaalsContact C-N 3.35Å; I276-F279 WeakPolarHBondContact O-CB 3.26Å; I276-F279 PolarHBondContact O-N 3.38Å; I276-L280 HydrophobicContact CG2-CD1 4.11Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.66Å |
| 277 | A | 96.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I273 A274 Y275 F279 L280 L281 L310 | I273-A277 WeakPolarHBondContact O-CB 3.31Å; I273-A277 PolarHBondContact O-N 3.02Å; A274-A277 PolarHBondContact O-N 2.8Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; A277-F279 VanDerWaalsContact C-N 3.33Å; A277-F279 PolarHBondContact O-N 3.21Å; A277-L280 PolarHBondContact O-N 2.94Å; A277-L281 HydrophobicContact CB-CD1 4.39Å; A277-L281 VanDerWaalsContact O-CB 3.24Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CG 3.33Å; A277-L281 PolarHBondContact O-N 3.05Å; A277-L310 HydrophobicContact CB-CD2 3.78Å |
| 278 | G | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A274 Y275 I276 L280 E282 G380 | A274-G278 PolarHBondContact O-N 2.85Å; Y275-G278 PolarHBondContact O-N 3.41Å; I276-G278 VanDerWaalsContact C-N 3.35Å; G278-L280 PolarHBondContact O-N 3.03Å; G278-E282 PolarHBondContact O-N 3.47Å; G278-G380 WeakPolarHBondContact CA-O 3.19Å |
| 279 | F | 95.4 | Very high | 94.5 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 33% | 0.329 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 173.7 | 174.2 | -98.9 | 0 | 0 | 0 | 112.4 | R226 I227 Y275 I276 A277 | R226-F279 HydrophobicContact CB-CD2 4.36Å; R226-F279 VanDerWaalsContact O-CD2 3.28Å; R226-F279 WeakPolarHBondContact O-CD2 3.26Å; I227-F279 HydrophobicContact CG1-CE2 4.44Å; Y275-F279 PolarHBondContact O-N 3.25Å; I276-F279 WeakPolarHBondContact O-CB 3.26Å; I276-F279 PolarHBondContact O-N 3.38Å; A277-F279 VanDerWaalsContact C-N 3.33Å; A277-F279 PolarHBondContact O-N 3.21Å |
| 280 | L | 95.6 | Very high | 93.7 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 65% | 0.649 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -77.8 | -34.8 | -178.8 | -66.1 | 173.8 | 0 | 0 | 0 | 113.6 | I276 A277 G278 | I276-L280 HydrophobicContact CG2-CD1 4.11Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.66Å; A277-L280 PolarHBondContact O-N 2.94Å; G278-L280 PolarHBondContact O-N 3.03Å |
| 281 | L | 92.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -87.9 | -13.8 | -176.6 | -64.7 | 171.8 | 0 | 0 | 0 | 112.8 | A277 D283 K284 V285 | A277-L281 HydrophobicContact CB-CD1 4.39Å; A277-L281 VanDerWaalsContact O-CB 3.24Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CG 3.33Å; A277-L281 PolarHBondContact O-N 3.05Å; L281-D283 PolarHBondContact O-N 3.14Å; L281-K284 WeakPolarHBondContact O-CB 3.34Å; L281-K284 PolarHBondContact O-N 3.46Å; L281-V285 HydrophobicContact CB-CG2 3.72Å; L281-V285 HydrophobicContact CD1-CG2 3.67Å; L281-V285 HydrophobicContact CG-CG2 4.22Å |
| 282 | E | 89.4 | Confident | 90.3 | Very high | 108 Ų | 108 | 56.9 Ų | 56.9 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -122.4 | 172.4 | -71.7 | -170.4 | -166.8 | 0 | 0 | 113.4 | R226 G278 | R226-E282 PolarHBondContact NH2-O 2.92Å; G278-E282 PolarHBondContact O-N 3.47Å |
| 283 | D | 89.6 | Confident | 88.1 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.7 | -177.6 | 62.7 | -20.8 | 0 | 0 | 0 | 112.9 | L208 L281 V285 V286 C287 R296 | L208-D283 HydrophobicContact CD1-CB 4.21Å; L281-D283 PolarHBondContact O-N 3.14Å; D283-V285 VanDerWaalsContact C-N 3.25Å; D283-V285 PolarHBondContact O-N 2.89Å; D283-V286 PolarHBondContact O-N 2.66Å; D283-C287 WeakPolarHBondContact O-CB 3.3Å; D283-C287 PolarHBondContact O-N 3.1Å; D283-R296 IonicContact OD2-CZ 3.7Å; D283-R296 IonicContact OD2-NH1 3.49Å; D283-R296 PolarHBondContact OD2-NH1 2.84Å; D283-R296 IonicContact OD2-NH2 2.75Å; D283-R296 PolarHBondContact OD2-NH2 3.47Å |
| 284 | K | 91 | Very high | 86.5 | Confident | 145 Ų | 145 | 69.4 Ų | 69.4 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.2 | -175.4 | -62.4 | -179.9 | 177.8 | 178.6 | 0 | 114.1 | L281 | L281-K284 WeakPolarHBondContact O-CB 3.34Å; L281-K284 PolarHBondContact O-N 3.46Å |
| 285 | V | 93.2 | Very high | 85.4 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -30.4 | -178.9 | 178 | 0 | 0 | 0 | 0 | 111.8 | L281 D283 G306 C307 L310 | L281-V285 HydrophobicContact CB-CG2 3.72Å; L281-V285 HydrophobicContact CD1-CG2 3.67Å; L281-V285 HydrophobicContact CG-CG2 4.22Å; D283-V285 VanDerWaalsContact C-N 3.25Å; D283-V285 PolarHBondContact O-N 2.89Å; V285-G306 VanDerWaalsContact CG1-C 3.4Å; V285-C307 VanDerWaalsContact CG1-CA 3.46Å; V285-C307 HydrophobicContact CG1-CB 3.98Å; V285-C307 VanDerWaalsContact CG1-N 3.32Å; V285-L310 HydrophobicContact CB-CD1 4.32Å; V285-L310 HydrophobicContact CG1-CD1 3.71Å; V285-L310 HydrophobicContact CG1-CG 4.5Å; V285-L310 HydrophobicContact CG2-CD1 4.4Å |
| 286 | V | 94.2 | Very high | 85 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -25.3 | -172 | 172 | 0 | 0 | 0 | 0 | 112.5 | D283 V298 V299 V377 V381 | D283-V286 PolarHBondContact O-N 2.66Å; V286-V298 HydrophobicContact CG1-CG1 4.39Å; V286-V299 WeakPolarHBondContact O-CG2 3.37Å; V286-V299 PolarHBondContact O-N 3.2Å; V286-V377 HydrophobicContact CG1-CB 4.37Å; V286-V377 HydrophobicContact CG1-CG2 4.03Å; V286-V381 WeakPolarHBondContact CG2-O 3.37Å |
| 287 | C | 92.8 | Very high | 84.6 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 141.5 | 175 | -55.8 | 0 | 0 | 0 | 0 | 111 | C206 D283 R296 T297 | C206-C287 HydrophobicContact CB-CB 3.75Å; C206-C287 WeakPolarHBondContact CB-SG 3.31Å; C206-C287 PolarHBondContact O-SG 2.92Å; C206-C287 VanDerWaalsContact O-SG 3.37Å; C206-C287 VanDerWaalsContact SG-CA 3.51Å; C206-C287 WeakPolarHBondContact SG-CB 3.44Å; C206-C287 CovalentContact SG-SG 2.03Å; C206-C287 PolarHBondContact SG-SG 3.17Å; D283-C287 WeakPolarHBondContact O-CB 3.3Å; D283-C287 PolarHBondContact O-N 3.1Å; C287-R296 HydrophobicContact CB-CB 4.47Å; C287-T297 WeakPolarHBondContact CA-O 3.13Å |
| 288 | N | 90.3 | Very high | 84.5 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 153.6 | 165.6 | -76.3 | -37.5 | 0 | 0 | 0 | 110.9 | Y194 F291 R296 T297 V299 | Y194-N288 WeakPolarHBondContact CE2-ND2 3.44Å; Y194-N288 PolarHBondContact OH-ND2 3.47Å; N288-F291 HydrophobicContact CB-CE2 3.87Å; N288-F291 HydrophobicContact CB-CZ 3.8Å; N288-R296 WeakPolarHBondContact O-CG 3.31Å; N288-T297 PolarHBondContact N-O 3.44Å; N288-T297 PolarHBondContact ND2-OG1 3.33Å; N288-V299 WeakPolarHBondContact OD1-CG2 3.34Å |
| 289 | D | 84.2 | Confident | 84.4 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 161 | 166.5 | -58.9 | -62.5 | 0 | 0 | 0 | 109.9 | F291 K304 | D289-F291 PolarHBondContact O-N 3.09Å; D289-K304 IonicContact OD2-NZ 3.46Å; D289-K304 PolarHBondContact OD2-NZ 3.44Å |
| 290 | R | 80.1 | Confident | 84.3 | Confident | 138 Ų | 138 | 65.9 Ų | 65.9 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 124.8 | -176.5 | -65.4 | 179.9 | 177.6 | -146.7 | 0.3 | 109.6 | E207 R296 | E207-R290 IonicContact OE1-CZ 3.94Å; E207-R290 IonicContact OE1-NE 3.97Å; E207-R290 PolarHBondContact OE1-NE 3.48Å; E207-R290 IonicContact OE1-NH2 3.92Å; E207-R290 PolarHBondContact OE1-NH2 2.94Å; R290-R296 HydrophobicContact CG-CG 3.81Å |
| 291 | F | 68.1 | Low | 84.2 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 31% | 0.311 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -73.7 | -57.6 | 179.3 | -62.3 | -72.5 | 0 | 0 | 0 | 111.8 | V188 P189 L192 N288 D289 | V188-F291 HydrophobicContact CB-CE2 4.47Å; V188-F291 HydrophobicContact CG1-CD2 4.49Å; V188-F291 HydrophobicContact CG1-CE2 4.09Å; P189-F291 HydrophobicContact CG-CD1 3.78Å; P189-F291 HydrophobicContact CG-CE1 4.17Å; P189-F291 HydrophobicContact CG-CG 4.12Å; L192-F291 HydrophobicContact CD1-CE1 3.96Å; L192-F291 HydrophobicContact CD1-CE2 4.42Å; L192-F291 HydrophobicContact CD1-CZ 3.6Å; N288-F291 HydrophobicContact CB-CE2 3.87Å; N288-F291 HydrophobicContact CB-CZ 3.8Å; D289-F291 PolarHBondContact O-N 3.09Å |
| 292 | E | 56.3 | Low | 84.2 | Confident | 185 Ų | 185 | 59.6 Ų | 59.6 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -137.7 | -26.6 | -174.3 | -73.3 | -178.2 | 170.8 | 0 | 0 | 117.6 | ||
| 293 | K | 53.3 | Low | 84.1 | Confident | 186 Ų | 186 | 61.3 Ų | 61.3 | 81% | 0.809 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 174.3 | -0.9 | 153.4 | -106.7 | 165.9 | -173 | 173.8 | 0 | 118.8 | ||
| 294 | E | 64.8 | Low | 84.2 | Confident | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -106.7 | -42.4 | -163.8 | -64.9 | -172.7 | 163.8 | 0 | 0 | 116 | P185 K210 | P185-E294 WeakPolarHBondContact CA-OE2 3.49Å; P185-E294 HydrophobicContact CB-CB 3.79Å; P185-E294 WeakPolarHBondContact CD-OE2 3.38Å; P185-E294 HydrophobicContact CG-CB 4.17Å; P185-E294 VanDerWaalsContact CG-OE2 3.27Å; P185-E294 WeakPolarHBondContact CG-OE2 3.17Å; K210-E294 PolarHBondContact NZ-O 2.84Å |
| 295 | M | 74.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | trans | -157.1 | 148.7 | -178.6 | -142.8 | 161 | -163.7 | 0 | 0 | 113.1 | P185 L186 P205 E207 K210 Y482 | P185-M295 HydrophobicContact CB-CB 4.23Å; P185-M295 WeakPolarHBondContact O-CB 3.26Å; L186-M295 HydrophobicContact CD2-CB 4.47Å; L186-M295 HydrophobicContact CD2-SD 3.95Å; P205-M295 HydrophobicContact CB-CE 4.14Å; P205-M295 HydrophobicContact CB-SD 4.03Å; E207-M295 HydrophobicContact CB-CE 3.89Å; E207-M295 HydrophobicContact CB-CG 4.14Å; E207-M295 HydrophobicContact CG-CE 4.35Å; E207-M295 HydrophobicContact CG-CG 3.6Å; K210-M295 HydrophobicContact CB-CE 4.26Å; K210-M295 HydrophobicContact CD-CE 4.13Å; M295-Y482 WeakPolarHBondContact CE-OH 2.98Å; M295-Y482 HydrophobicContact SD-CE1 3.91Å; M295-Y482 PolarHBondContact SD-OH 3.45Å | ||
| 296 | R | 89 | Confident | 84.3 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | trans | -77.2 | 143 | 165.9 | -70.7 | -176.1 | -71.5 | 160.7 | 5.5 | 109.3 | C206 E207 D283 C287 N288 R290 | C206-R296 WeakPolarHBondContact CA-O 3.35Å; C206-R296 HydrophobicContact CB-CB 4.28Å; C206-R296 PolarHBondContact N-O 3.44Å; E207-R296 VanDerWaalsContact CD-NE 3.32Å; E207-R296 HydrophobicContact CG-CB 4.19Å; E207-R296 WeakPolarHBondContact OE1-CG 3.38Å; E207-R296 IonicContact OE1-NE 3Å; E207-R296 PolarHBondContact OE1-NE 3.39Å; E207-R296 VanDerWaalsContact OE1-NE 3.1Å; E207-R296 IonicContact OE2-CZ 2.72Å; E207-R296 IonicContact OE2-NE 2.85Å; E207-R296 PolarHBondContact OE2-NE 2.91Å; E207-R296 IonicContact OE2-NH2 3.87Å; E207-R296 PolarHBondContact OE2-NH2 3.32Å; D283-R296 IonicContact OD2-CZ 3.7Å; D283-R296 IonicContact OD2-NH1 3.49Å; D283-R296 PolarHBondContact OD2-NH1 2.84Å; D283-R296 IonicContact OD2-NH2 2.75Å; D283-R296 PolarHBondContact OD2-NH2 3.47Å; C287-R296 HydrophobicContact CB-CB 4.47Å; N288-R296 WeakPolarHBondContact O-CG 3.31Å; R290-R296 HydrophobicContact CG-CG 3.81Å | ||
| 297 | T | 90.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -113.2 | 154.9 | 176.5 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | V188 A204 C206 C287 N288 | V188-T297 HydrophobicContact CG1-CG2 3.81Å; A204-T297 CarbonylContact O-C 3.6Å; A204-T297 WeakPolarHBondContact O-CA 3.24Å; A204-T297 WeakPolarHBondContact O-CB 3Å; C206-T297 VanDerWaalsContact CB-C 3.42Å; C287-T297 WeakPolarHBondContact CA-O 3.13Å; N288-T297 PolarHBondContact N-O 3.44Å; N288-T297 PolarHBondContact ND2-OG1 3.33Å |
| 298 | V | 93.7 | Very high | 84.5 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 138.5 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | A204 C206 V286 Q300 G375 V377 | A204-V298 HydrophobicContact CB-CB 4.23Å; A204-V298 HydrophobicContact CB-CG2 4.01Å; A204-V298 PolarHBondContact O-N 3.3Å; C206-V298 HydrophobicContact CB-CG2 3.89Å; V286-V298 HydrophobicContact CG1-CG1 4.39Å; V298-Q300 PolarHBondContact O-N 3.13Å; V298-G375 VanDerWaalsContact CG1-O 3.28Å; V298-G375 WeakPolarHBondContact CG1-O 3.26Å; V298-V377 HydrophobicContact CG2-CG2 3.81Å |
| 299 | V | 94.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -63.6 | 131.4 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | V286 N288 K304 C307 G375 | V286-V299 WeakPolarHBondContact O-CG2 3.37Å; V286-V299 PolarHBondContact O-N 3.2Å; N288-V299 WeakPolarHBondContact OD1-CG2 3.34Å; V299-K304 HydrophobicContact CG1-CB 3.75Å; V299-K304 HydrophobicContact CG2-CB 4.17Å; V299-K304 HydrophobicContact CG2-CG 4.18Å; V299-C307 HydrophobicContact CG1-CB 3.93Å; V299-C307 VanDerWaalsContact CG1-SG 3.54Å; V299-G375 PolarHBondContact O-N 2.97Å | ||
| 300 | Q | 94.1 | Very high | 85.4 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -124.3 | 154.5 | 165.7 | -61.6 | -175.4 | -18.4 | 0 | 0 | 109.9 | Y194 R195 V298 V373 N387 | Y194-Q300 VanDerWaalsContact CB-OE1 3.25Å; Y194-Q300 HydrophobicContact CD1-CB 3.71Å; Y194-Q300 HydrophobicContact CD2-CB 4.01Å; Y194-Q300 HydrophobicContact CD2-CG 4.18Å; Y194-Q300 HydrophobicContact CE1-CB 3.67Å; Y194-Q300 WeakPolarHBondContact CE1-O 3.5Å; Y194-Q300 HydrophobicContact CE2-CB 3.95Å; Y194-Q300 HydrophobicContact CE2-CG 4.3Å; Y194-Q300 HydrophobicContact CG-CB 3.9Å; Y194-Q300 HydrophobicContact CG-CG 4.36Å; Y194-Q300 PolarHBondContact OH-N 3.32Å; Y194-Q300 PolarHBondContact OH-O 2.98Å; R195-Q300 PolarHBondContact O-NE2 3.19Å; R195-Q300 PolarHBondContact O-OE1 3.33Å; V298-Q300 PolarHBondContact O-N 3.13Å; Q300-V373 CarbonylContact C-O 3.52Å; Q300-V373 WeakPolarHBondContact CA-O 3.1Å; Q300-N387 PolarHBondContact NE2-ND2 2.95Å |
| 301 | G | 92.3 | Very high | 86.3 | Confident | 12 Ų | 12 | 58 Ų | 58 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 71.5 | -164.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G371 V373 | G301-G371 WeakPolarHBondContact CA-O 3.37Å; G301-V373 PolarHBondContact N-O 3.15Å |
| 302 | T | 92.1 | Very high | 87.7 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -103.6 | 6.5 | -169.2 | 51.8 | 0 | 0 | 0 | 0 | 114 | T308 L368 V373 | T302-T308 WeakPolarHBondContact CA-OG1 3.44Å; T302-T308 PolarHBondContact O-OG1 3.07Å; T302-T308 VanDerWaalsContact O-OG1 3.06Å; T302-L368 HydrophobicContact CG2-CB 4.42Å; T302-L368 HydrophobicContact CG2-CD2 3.68Å; T302-V373 HydrophobicContact CG2-CG2 4.22Å |
| 303 | K | 88.8 | Confident | 89.6 | Confident | 144 Ų | 144 | 50.7 Ų | 50.7 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | trans | -75.3 | -28.7 | -171.1 | -62.3 | -65.8 | -174.1 | 177.7 | 0 | 113.9 | L192 | L192-K303 HydrophobicContact CD2-CB 4.13Å; L192-K303 HydrophobicContact CD2-CG 3.99Å | ||
| 304 | K | 91.9 | Very high | 91.7 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -91.4 | 108.5 | 176.2 | -166.3 | 80.9 | 172.8 | -177.8 | 0 | 109.2 | D289 V299 G306 C307 T308 | D289-K304 IonicContact OD2-NZ 3.46Å; D289-K304 PolarHBondContact OD2-NZ 3.44Å; V299-K304 HydrophobicContact CG1-CB 3.75Å; V299-K304 HydrophobicContact CG2-CB 4.17Å; V299-K304 HydrophobicContact CG2-CG 4.18Å; K304-G306 PolarHBondContact O-N 2.99Å; K304-C307 HydrophobicContact CB-CB 4.12Å; K304-C307 HydrophobicContact CG-CB 4.38Å; K304-C307 WeakPolarHBondContact O-CB 3.24Å; K304-C307 PolarHBondContact O-N 2.84Å; K304-C307 VanDerWaalsContact O-N 3.13Å; K304-T308 PolarHBondContact O-N 3.29Å; K304-T308 VanDerWaalsContact O-N 3.09Å; K304-T308 PolarHBondContact O-OG1 2.8Å |
| 305 | E | 92.3 | Very high | 93.3 | Very high | 156 Ų | 156 | 36.7 Ų | 36.7 | 73% | 0.729 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -56.6 | -47.2 | -171.7 | -61.8 | -176.6 | 171 | 0 | 0 | 113.5 | C307 T308 I309 | E305-C307 VanDerWaalsContact C-N 3.26Å; E305-C307 PolarHBondContact O-N 3.31Å; E305-T308 PolarHBondContact O-N 3.37Å; E305-I309 VanDerWaalsContact O-CG1 3.31Å; E305-I309 WeakPolarHBondContact O-CG1 3.34Å; E305-I309 PolarHBondContact O-N 3.08Å |
| 306 | G | 93.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V285 K304 L310 | V285-G306 VanDerWaalsContact CG1-C 3.4Å; K304-G306 PolarHBondContact O-N 2.99Å; G306-L310 WeakPolarHBondContact O-CG 3.2Å; G306-L310 PolarHBondContact O-N 2.96Å; G306-L310 VanDerWaalsContact O-N 3.12Å |
| 307 | C | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -46.7 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | V285 V299 K304 E305 I309 L310 F311 C382 | V285-C307 VanDerWaalsContact CG1-CA 3.46Å; V285-C307 HydrophobicContact CG1-CB 3.98Å; V285-C307 VanDerWaalsContact CG1-N 3.32Å; V299-C307 HydrophobicContact CG1-CB 3.93Å; V299-C307 VanDerWaalsContact CG1-SG 3.54Å; K304-C307 HydrophobicContact CB-CB 4.12Å; K304-C307 HydrophobicContact CG-CB 4.38Å; K304-C307 WeakPolarHBondContact O-CB 3.24Å; K304-C307 PolarHBondContact O-N 2.84Å; K304-C307 VanDerWaalsContact O-N 3.13Å; E305-C307 VanDerWaalsContact C-N 3.26Å; E305-C307 PolarHBondContact O-N 3.31Å; C307-I309 VanDerWaalsContact C-N 3.33Å; C307-I309 PolarHBondContact O-N 3.1Å; C307-L310 PolarHBondContact O-N 3.17Å; C307-F311 WeakPolarHBondContact O-CB 3.23Å; C307-F311 PolarHBondContact O-N 3.34Å; C307-C382 WeakPolarHBondContact CA-SG 3.28Å; C307-C382 HydrophobicContact CB-CB 4.12Å; C307-C382 WeakPolarHBondContact CB-SG 2.86Å; C307-C382 WeakPolarHBondContact O-CB 3.05Å; C307-C382 WeakPolarHBondContact SG-CB 3.34Å; C307-C382 CovalentContact SG-SG 2.01Å; C307-C382 PolarHBondContact SG-SG 3.01Å |
| 308 | T | 96.1 | Very high | 95.3 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 176.5 | -56 | 0 | 0 | 0 | 0 | 112 | T302 K304 E305 F311 M312 L368 | T302-T308 WeakPolarHBondContact CA-OG1 3.44Å; T302-T308 PolarHBondContact O-OG1 3.07Å; T302-T308 VanDerWaalsContact O-OG1 3.06Å; K304-T308 PolarHBondContact O-N 3.29Å; K304-T308 VanDerWaalsContact O-N 3.09Å; K304-T308 PolarHBondContact O-OG1 2.8Å; E305-T308 PolarHBondContact O-N 3.37Å; T308-F311 PolarHBondContact O-N 3.3Å; T308-M312 HydrophobicContact CG2-SD 4.25Å; T308-M312 WeakPolarHBondContact O-CB 3.15Å; T308-M312 VanDerWaalsContact O-CG 3.27Å; T308-M312 WeakPolarHBondContact O-CG 3.48Å; T308-M312 PolarHBondContact O-N 3.45Å; T308-L368 HydrophobicContact CG2-CD2 3.65Å |
| 309 | I | 96.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 52% | 0.518 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 179.1 | -68.3 | 165.6 | 0 | 0 | 0 | 111.1 | E305 C307 F311 M312 M313 | E305-I309 VanDerWaalsContact O-CG1 3.31Å; E305-I309 WeakPolarHBondContact O-CG1 3.34Å; E305-I309 PolarHBondContact O-N 3.08Å; C307-I309 VanDerWaalsContact C-N 3.33Å; C307-I309 PolarHBondContact O-N 3.1Å; I309-F311 VanDerWaalsContact C-N 3.31Å; I309-F311 PolarHBondContact O-N 3Å; I309-M312 PolarHBondContact O-N 3.06Å; I309-M313 WeakPolarHBondContact O-CB 3.36Å; I309-M313 PolarHBondContact O-N 2.81Å |
| 310 | L | 96.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.9 | -68.3 | -177.7 | 0 | 0 | 0 | 111.5 | A277 V285 G306 C307 L314 V381 | A277-L310 HydrophobicContact CB-CD2 3.78Å; V285-L310 HydrophobicContact CB-CD1 4.32Å; V285-L310 HydrophobicContact CG1-CD1 3.71Å; V285-L310 HydrophobicContact CG1-CG 4.5Å; V285-L310 HydrophobicContact CG2-CD1 4.4Å; G306-L310 WeakPolarHBondContact O-CG 3.2Å; G306-L310 PolarHBondContact O-N 2.96Å; G306-L310 VanDerWaalsContact O-N 3.12Å; C307-L310 PolarHBondContact O-N 3.17Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 2.71Å; L310-V381 HydrophobicContact CD1-CG1 4.22Å |
| 311 | F | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 172.5 | 163 | -101.4 | 0 | 0 | 0 | 111.9 | C307 T308 I309 M313 L314 Y315 T364 I367 L368 V373 C382 V384 | C307-F311 WeakPolarHBondContact O-CB 3.23Å; C307-F311 PolarHBondContact O-N 3.34Å; T308-F311 PolarHBondContact O-N 3.3Å; I309-F311 VanDerWaalsContact C-N 3.31Å; I309-F311 PolarHBondContact O-N 3Å; F311-M313 VanDerWaalsContact C-N 3.32Å; F311-M313 PolarHBondContact O-N 2.85Å; F311-L314 PolarHBondContact O-N 3.44Å; F311-Y315 HydrophobicContact CE2-CD1 4.49Å; F311-Y315 HydrophobicContact CE2-CD2 4.09Å; F311-Y315 AromaticContact CE2-CG 3.83Å; F311-Y315 HydrophobicContact CE2-CG 3.83Å; F311-Y315 HydrophobicContact CZ-CD1 4.25Å; F311-Y315 HydrophobicContact CZ-CG 4.04Å; F311-Y315 WeakPolarHBondContact O-CB 3.31Å; F311-Y315 PolarHBondContact O-N 3.09Å; F311-T364 HydrophobicContact CE1-CG2 4.2Å; F311-I367 HydrophobicContact CE1-CB 4.42Å; F311-I367 HydrophobicContact CE1-CG2 3.99Å; F311-I367 HydrophobicContact CE2-CG2 4.07Å; F311-I367 HydrophobicContact CZ-CB 3.88Å; F311-I367 HydrophobicContact CZ-CD1 4.02Å; F311-I367 HydrophobicContact CZ-CG2 3.36Å; F311-L368 HydrophobicContact CD1-CD2 3.91Å; F311-L368 HydrophobicContact CE1-CD2 3.82Å; F311-L368 HydrophobicContact CE1-CG 4.15Å; F311-V373 HydrophobicContact CB-CG1 3.72Å; F311-V373 HydrophobicContact CD1-CG1 4.2Å; F311-V373 HydrophobicContact CD1-CG2 3.61Å; F311-V373 HydrophobicContact CD2-CG1 4.13Å; F311-V373 HydrophobicContact CD2-CG2 4.22Å; F311-V373 HydrophobicContact CE1-CG2 3.73Å; F311-V373 HydrophobicContact CE2-CG2 4.33Å; F311-V373 HydrophobicContact CG-CB 4.45Å; F311-V373 HydrophobicContact CG-CG1 3.72Å; F311-V373 HydrophobicContact CG-CG2 3.88Å; F311-V373 HydrophobicContact CZ-CG2 4.11Å; F311-C382 WeakPolarHBondContact CA-O 3.43Å; F311-C382 HydrophobicContact CB-CB 4.01Å; F311-V384 HydrophobicContact CE2-CB 4Å; F311-V384 HydrophobicContact CE2-CG1 4.23Å |
| 312 | M | 97.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 36 Ų | 36 | 41% | 0.409 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.7 | -47.2 | -178.8 | -76.4 | 177.1 | 68.9 | 0 | 0 | 111.1 | T308 I309 F316 T364 L368 | T308-M312 HydrophobicContact CG2-SD 4.25Å; T308-M312 WeakPolarHBondContact O-CB 3.15Å; T308-M312 VanDerWaalsContact O-CG 3.27Å; T308-M312 WeakPolarHBondContact O-CG 3.48Å; T308-M312 PolarHBondContact O-N 3.45Å; I309-M312 PolarHBondContact O-N 3.06Å; M312-F316 WeakPolarHBondContact O-CB 3.46Å; M312-F316 PolarHBondContact O-N 3.22Å; M312-F316 VanDerWaalsContact O-N 3.09Å; M312-T364 HydrophobicContact CG-CG2 4.06Å; M312-L368 HydrophobicContact CE-CD1 4.39Å; M312-L368 HydrophobicContact CG-CD1 4Å; M312-L368 HydrophobicContact CG-CD2 4.38Å; M312-L368 HydrophobicContact SD-CD1 3.94Å |
| 313 | M | 96.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 34 Ų | 34 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -54 | 178.4 | -173.1 | 165.8 | 171 | 0 | 0 | 111 | M270 I273 A274 I309 F311 F317 | M270-M313 HydrophobicContact CB-CE 4.03Å; M270-M313 HydrophobicContact CB-CG 4.48Å; M270-M313 HydrophobicContact CE-CE 3.41Å; M270-M313 VanDerWaalsContact CE-CE 3.41Å; M270-M313 HydrophobicContact CE-CG 4.33Å; M270-M313 HydrophobicContact CE-SD 4.09Å; M270-M313 WeakPolarHBondContact O-CE 2.96Å; M270-M313 HydrophobicContact SD-CE 3.98Å; I273-M313 HydrophobicContact CB-CE 3.46Å; I273-M313 VanDerWaalsContact CB-CE 3.46Å; I273-M313 HydrophobicContact CG2-CE 3.36Å; A274-M313 HydrophobicContact CB-CB 4.42Å; A274-M313 HydrophobicContact CB-CE 4.5Å; A274-M313 HydrophobicContact CB-CG 4.09Å; A274-M313 HydrophobicContact CB-SD 4.28Å; I309-M313 WeakPolarHBondContact O-CB 3.36Å; I309-M313 PolarHBondContact O-N 2.81Å; F311-M313 VanDerWaalsContact C-N 3.32Å; F311-M313 PolarHBondContact O-N 2.85Å; M313-F317 HydrophobicContact CG-CD2 4.11Å; M313-F317 HydrophobicContact CG-CE2 4.34Å; M313-F317 WeakPolarHBondContact O-CB 3.07Å; M313-F317 WeakPolarHBondContact O-CD2 3.35Å; M313-F317 PolarHBondContact O-N 3.44Å |
| 314 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -50.3 | -176 | -179.3 | 58.6 | 0 | 0 | 0 | 112.3 | V271 A274 Y275 L310 F311 S318 V381 F383 | V271-L314 HydrophobicContact CB-CD1 4.38Å; V271-L314 HydrophobicContact CG1-CD1 3.74Å; V271-L314 HydrophobicContact CG2-CD1 4.38Å; A274-L314 HydrophobicContact CB-CB 4.2Å; Y275-L314 HydrophobicContact CD2-CD1 4.22Å; Y275-L314 HydrophobicContact CE1-CD2 4.2Å; Y275-L314 HydrophobicContact CE2-CD1 3.6Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 2.71Å; F311-L314 PolarHBondContact O-N 3.44Å; L314-S318 WeakPolarHBondContact O-CB 3Å; L314-S318 PolarHBondContact O-N 3.28Å; L314-S318 PolarHBondContact O-OG 2.99Å; L314-V381 HydrophobicContact CD2-CB 4.3Å; L314-V381 HydrophobicContact CD2-CG2 3.65Å; L314-F383 HydrophobicContact CD2-CD2 3.84Å; L314-F383 HydrophobicContact CD2-CE2 4.36Å; L314-F383 HydrophobicContact CG-CD2 4.11Å; L314-F383 HydrophobicContact CG-CE2 4.21Å |
| 315 | Y | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.5 | -47.7 | -174.6 | -176.4 | -91.8 | 0 | 0 | 0 | 112.1 | F311 F317 S318 M319 K363 I367 F383 V384 F395 V396 | F311-Y315 HydrophobicContact CE2-CD1 4.49Å; F311-Y315 HydrophobicContact CE2-CD2 4.09Å; F311-Y315 AromaticContact CE2-CG 3.83Å; F311-Y315 HydrophobicContact CE2-CG 3.83Å; F311-Y315 HydrophobicContact CZ-CD1 4.25Å; F311-Y315 HydrophobicContact CZ-CG 4.04Å; F311-Y315 WeakPolarHBondContact O-CB 3.31Å; F311-Y315 PolarHBondContact O-N 3.09Å; Y315-F317 PolarHBondContact O-N 3.41Å; Y315-S318 PolarHBondContact O-N 3.17Å; Y315-M319 HydrophobicContact CD1-CG 4.23Å; Y315-M319 HydrophobicContact CD2-CE 4.2Å; Y315-M319 HydrophobicContact CD2-CG 4.49Å; Y315-M319 HydrophobicContact CE1-CG 3.81Å; Y315-M319 HydrophobicContact CE2-CE 3.47Å; Y315-M319 VanDerWaalsContact CE2-CE 3.47Å; Y315-M319 HydrophobicContact CE2-CG 4.12Å; Y315-M319 WeakPolarHBondContact O-CB 3.43Å; Y315-M319 VanDerWaalsContact O-CG 3.32Å; Y315-M319 WeakPolarHBondContact O-CG 3.03Å; Y315-M319 PolarHBondContact O-N 2.75Å; Y315-K363 HydrophobicContact CE1-CB 3.94Å; Y315-K363 WeakPolarHBondContact OH-CE 3.29Å; Y315-K363 PolarHBondContact OH-NZ 3.43Å; Y315-I367 HydrophobicContact CD1-CD1 4.03Å; Y315-I367 HydrophobicContact CD2-CD1 4.37Å; Y315-I367 HydrophobicContact CE1-CD1 3.42Å; Y315-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y315-I367 HydrophobicContact CE2-CD1 3.79Å; Y315-I367 HydrophobicContact CG-CD1 4.48Å; Y315-I367 WeakPolarHBondContact OH-CD1 3.5Å; Y315-F383 AromaticContact CD2-CE2 3.86Å; Y315-F383 HydrophobicContact CD2-CE2 3.86Å; Y315-F383 AromaticContact CD2-CZ 3.94Å; Y315-F383 HydrophobicContact CD2-CZ 3.94Å; Y315-V384 HydrophobicContact CD2-CG1 3.65Å; Y315-V384 HydrophobicContact CE2-CG1 3.46Å; Y315-V384 VanDerWaalsContact CE2-CG1 3.46Å; Y315-F395 PolarHBondContact OH-O 2.74Å; Y315-V396 HydrophobicContact CE2-CG2 4.32Å |
| 316 | F | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 18 Ų | 18 | 15% | 0.149 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -51.4 | -179.6 | 176.8 | -93.2 | 0 | 0 | 0 | 111.2 | M312 M319 A320 W357 P360 A361 | M312-F316 WeakPolarHBondContact O-CB 3.46Å; M312-F316 PolarHBondContact O-N 3.22Å; M312-F316 VanDerWaalsContact O-N 3.09Å; F316-M319 PolarHBondContact O-N 2.9Å; F316-A320 WeakPolarHBondContact O-CB 3.19Å; F316-A320 PolarHBondContact O-N 3.43Å; F316-W357 HydrophobicContact CE1-CE3 4.04Å; F316-W357 HydrophobicContact CE1-CZ3 4.23Å; F316-W357 AromaticContact CZ-CE3 3.93Å; F316-W357 HydrophobicContact CZ-CE3 3.93Å; F316-P360 HydrophobicContact CD2-CB 3.73Å; F316-P360 HydrophobicContact CE2-CB 3.9Å; F316-P360 HydrophobicContact CG-CB 4.37Å; F316-A361 HydrophobicContact CE2-CB 3.98Å |
| 317 | F | 98.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.9 | -30.3 | -176.4 | -71.5 | -67.5 | 0 | 0 | 0 | 112.8 | F9 L13 C267 M270 V271 M313 Y315 S321 | F9-F317 HydrophobicContact CE1-CZ 4.43Å; L13-F317 HydrophobicContact CD1-CE2 4.49Å; L13-F317 HydrophobicContact CD1-CZ 3.81Å; C267-F317 HydrophobicContact CB-CB 4.25Å; C267-F317 HydrophobicContact CB-CD1 4.28Å; C267-F317 WeakPolarHBondContact CB-O 3.29Å; M270-F317 HydrophobicContact CB-CB 4.15Å; M270-F317 HydrophobicContact CB-CD1 4.08Å; M270-F317 HydrophobicContact CB-CD2 3.31Å; M270-F317 HydrophobicContact CB-CE1 4.36Å; M270-F317 HydrophobicContact CB-CE2 3.68Å; M270-F317 HydrophobicContact CB-CG 3.58Å; M270-F317 HydrophobicContact CB-CZ 4.19Å; M270-F317 HydrophobicContact CE-CE2 3.85Å; M270-F317 HydrophobicContact CE-CZ 4.26Å; M270-F317 HydrophobicContact CG-CD1 4.19Å; M270-F317 HydrophobicContact CG-CD2 3.89Å; M270-F317 HydrophobicContact CG-CE1 4.02Å; M270-F317 HydrophobicContact CG-CE2 3.74Å; M270-F317 HydrophobicContact CG-CG 4.16Å; M270-F317 HydrophobicContact CG-CZ 3.81Å; V271-F317 HydrophobicContact CG2-CB 3.87Å; M313-F317 HydrophobicContact CG-CD2 4.11Å; M313-F317 HydrophobicContact CG-CE2 4.34Å; M313-F317 WeakPolarHBondContact O-CB 3.07Å; M313-F317 WeakPolarHBondContact O-CD2 3.35Å; M313-F317 PolarHBondContact O-N 3.44Å; Y315-F317 PolarHBondContact O-N 3.41Å; F317-S321 WeakPolarHBondContact O-CB 3.48Å; F317-S321 PolarHBondContact O-N 3.18Å; F317-S321 PolarHBondContact O-OG 3.4Å |
| 318 | S | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 17.1 Ų | 17.1 | 15% | 0.154 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | 172.8 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | V271 L314 Y315 S321 S322 | V271-S318 WeakPolarHBondContact CG2-OG 3.28Å; L314-S318 WeakPolarHBondContact O-CB 3Å; L314-S318 PolarHBondContact O-N 3.28Å; L314-S318 PolarHBondContact O-OG 2.99Å; Y315-S318 PolarHBondContact O-N 3.17Å; S318-S321 PolarHBondContact O-OG 3.2Å; S318-S322 PolarHBondContact O-N 3.02Å; S318-S322 PolarHBondContact O-OG 2.88Å |
| 319 | M | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.02 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.6 | -40.6 | 176.2 | -68.8 | -63.6 | 161.3 | 0 | 0 | 111.4 | Y315 F316 S322 I323 P360 K363 F395 V396 Y403 | Y315-M319 HydrophobicContact CD1-CG 4.23Å; Y315-M319 HydrophobicContact CD2-CE 4.2Å; Y315-M319 HydrophobicContact CD2-CG 4.49Å; Y315-M319 HydrophobicContact CE1-CG 3.81Å; Y315-M319 HydrophobicContact CE2-CE 3.47Å; Y315-M319 VanDerWaalsContact CE2-CE 3.47Å; Y315-M319 HydrophobicContact CE2-CG 4.12Å; Y315-M319 WeakPolarHBondContact O-CB 3.43Å; Y315-M319 VanDerWaalsContact O-CG 3.32Å; Y315-M319 WeakPolarHBondContact O-CG 3.03Å; Y315-M319 PolarHBondContact O-N 2.75Å; F316-M319 PolarHBondContact O-N 2.9Å; M319-S322 PolarHBondContact O-N 2.93Å; M319-I323 WeakPolarHBondContact O-CG1 3.37Å; M319-I323 PolarHBondContact O-N 3Å; M319-P360 HydrophobicContact CB-CB 3.91Å; M319-P360 HydrophobicContact CB-CG 4Å; M319-K363 PolarHBondContact SD-NZ 3.44Å; M319-F395 WeakPolarHBondContact CE-O 3.36Å; M319-V396 HydrophobicContact CE-CG1 4.43Å; M319-Y403 HydrophobicContact SD-CE2 4.3Å |
| 320 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F316 S322 I323 W324 W357 P360 | F316-A320 WeakPolarHBondContact O-CB 3.19Å; F316-A320 PolarHBondContact O-N 3.43Å; A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.01Å; A320-I323 PolarHBondContact O-N 3.34Å; A320-W324 PolarHBondContact O-N 3.36Å; A320-W357 HydrophobicContact CB-CE3 3.94Å; A320-W357 HydrophobicContact CB-CZ3 3.62Å; A320-P360 HydrophobicContact CB-CB 4.48Å; A320-P360 HydrophobicContact CB-CG 3.94Å |
| 321 | S | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.007 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 178.6 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | F317 S318 W324 W325 | F317-S321 WeakPolarHBondContact O-CB 3.48Å; F317-S321 PolarHBondContact O-N 3.18Å; F317-S321 PolarHBondContact O-OG 3.4Å; S318-S321 PolarHBondContact O-OG 3.2Å; S321-W324 PolarHBondContact O-N 2.9Å; S321-W325 PolarHBondContact O-N 3.47Å |
| 322 | S | 97.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 8% | 0.084 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | S318 M319 A320 W325 V326 | S318-S322 PolarHBondContact O-N 3.02Å; S318-S322 PolarHBondContact O-OG 2.88Å; M319-S322 PolarHBondContact O-N 2.93Å; A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.01Å; S322-W325 PolarHBondContact O-N 3.03Å; S322-V326 PolarHBondContact O-N 3.36Å; S322-V326 VanDerWaalsContact O-N 3.16Å |
| 323 | I | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 11 Ų | 11 | 7% | 0.072 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.7 | -38.9 | 175.6 | -61.5 | 168.1 | 0 | 0 | 0 | 111 | M319 A320 W325 V326 I327 A356 V359 P360 Y403 | M319-I323 WeakPolarHBondContact O-CG1 3.37Å; M319-I323 PolarHBondContact O-N 3Å; A320-I323 PolarHBondContact O-N 3.34Å; I323-W325 PolarHBondContact O-N 3.14Å; I323-V326 WeakPolarHBondContact O-CB 3.18Å; I323-V326 PolarHBondContact O-N 3.01Å; I323-V326 VanDerWaalsContact O-N 3.07Å; I323-I327 HydrophobicContact CG2-CD1 3.92Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 3.4Å; I323-A356 HydrophobicContact CG2-CB 4.07Å; I323-V359 HydrophobicContact CD1-CB 3.81Å; I323-V359 HydrophobicContact CD1-CG1 3.91Å; I323-P360 HydrophobicContact CD1-CG 3.74Å; I323-Y403 HydrophobicContact CD1-CE2 4.46Å; I323-Y403 HydrophobicContact CG1-CD1 4.46Å; I323-Y403 HydrophobicContact CG1-CD2 4.4Å; I323-Y403 HydrophobicContact CG1-CE1 4.01Å; I323-Y403 HydrophobicContact CG1-CE2 3.91Å |
| 324 | W | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.3 | -33.4 | 174.2 | -82.8 | 117.7 | 0 | 0 | 0 | 112.7 | P260 F263 L264 A320 S321 I327 L328 H353 A356 W357 | P260-W324 HydrophobicContact CB-CE3 4Å; P260-W324 HydrophobicContact CB-CZ3 4.47Å; F263-W324 HydrophobicContact CB-CD2 3.63Å; F263-W324 VanDerWaalsContact CB-CE2 3.5Å; F263-W324 HydrophobicContact CB-CE3 4.12Å; F263-W324 HydrophobicContact CB-CG 3.99Å; F263-W324 HydrophobicContact CB-CH2 4.38Å; F263-W324 HydrophobicContact CB-CZ2 3.91Å; F263-W324 HydrophobicContact CB-CZ3 4.47Å; F263-W324 HydrophobicContact CD1-CZ2 4.38Å; F263-W324 HydrophobicContact CD2-CD2 4.4Å; F263-W324 HydrophobicContact CD2-CE3 4.13Å; F263-W324 AromaticContact CD2-CH2 3.55Å; F263-W324 HydrophobicContact CD2-CH2 3.55Å; F263-W324 AromaticContact CD2-CZ2 3.83Å; F263-W324 HydrophobicContact CD2-CZ2 3.83Å; F263-W324 AromaticContact CD2-CZ3 3.7Å; F263-W324 HydrophobicContact CD2-CZ3 3.7Å; F263-W324 HydrophobicContact CE2-CH2 4Å; F263-W324 HydrophobicContact CE2-CZ2 4.48Å; F263-W324 HydrophobicContact CE2-CZ3 4.36Å; F263-W324 HydrophobicContact CG-CD2 4.31Å; F263-W324 AromaticContact CG-CE2 3.94Å; F263-W324 HydrophobicContact CG-CE3 4.5Å; F263-W324 HydrophobicContact CG-CH2 4.03Å; F263-W324 AromaticContact CG-CZ2 3.79Å; F263-W324 HydrophobicContact CG-CZ2 3.79Å; F263-W324 HydrophobicContact CG-CZ3 4.36Å; L264-W324 HydrophobicContact CB-CB 4.28Å; A320-W324 PolarHBondContact O-N 3.36Å; S321-W324 PolarHBondContact O-N 2.9Å; W324-I327 HydrophobicContact CD2-CD1 4.27Å; W324-I327 HydrophobicContact CE3-CB 4.16Å; W324-I327 HydrophobicContact CE3-CD1 3.77Å; W324-I327 HydrophobicContact CE3-CG2 4.08Å; W324-I327 HydrophobicContact CZ3-CD1 3.93Å; W324-I327 HydrophobicContact CZ3-CG2 4.01Å; W324-I327 PolarHBondContact O-N 3.01Å; W324-L328 WeakPolarHBondContact O-CB 3.06Å; W324-L328 PolarHBondContact O-N 3.45Å; W324-H353 AromaticContact CH2-CE1 3.38Å; W324-H353 WeakPolarHBondContact CH2-CE1 3.41Å; W324-H353 AromaticContact CH2-ND1 3.46Å; W324-H353 WeakPolarHBondContact CH2-ND1 3.38Å; W324-H353 AromaticContact CH2-NE2 3.9Å; W324-H353 AromaticContact CZ2-CE1 3.62Å; W324-H353 AromaticContact CZ2-ND1 3.44Å; W324-H353 WeakPolarHBondContact CZ2-ND1 3.45Å; W324-A356 HydrophobicContact CD2-CB 4Å; W324-A356 VanDerWaalsContact CE2-CB 3.48Å; W324-A356 HydrophobicContact CG-CB 4.35Å; W324-A356 HydrophobicContact CH2-CB 4.4Å; W324-A356 HydrophobicContact CZ2-CB 3.71Å; W324-W357 AromaticContact CE2-CZ2 3.89Å; W324-W357 AromaticContact CZ2-CZ2 3.82Å; W324-W357 HydrophobicContact CZ2-CZ2 3.82Å; W324-W357 AromaticContact NE1-CE2 3.96Å; W324-W357 AromaticContact NE1-CH2 3.25Å; W324-W357 AromaticContact NE1-CZ2 3.37Å; W324-W357 AromaticContact NE1-CZ3 3.76Å |
| 325 | W | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 170.6 | 172.5 | 80.8 | 0 | 0 | 0 | 112.4 | L264 S321 S322 I323 I327 L328 A329 Y403 L404 T408 L411 S446 Y449 T450 | L264-W325 HydrophobicContact CD1-CB 4.05Å; S321-W325 PolarHBondContact O-N 3.47Å; S322-W325 PolarHBondContact O-N 3.03Å; I323-W325 PolarHBondContact O-N 3.14Å; W325-I327 VanDerWaalsContact C-N 3.3Å; W325-I327 PolarHBondContact O-N 3.35Å; W325-L328 WeakPolarHBondContact O-CB 3.38Å; W325-L328 PolarHBondContact O-N 3.43Å; W325-L328 VanDerWaalsContact O-N 3.15Å; W325-A329 PolarHBondContact O-N 2.9Å; W325-Y403 WeakPolarHBondContact CZ3-O 3.48Å; W325-L404 HydrophobicContact CH2-CD1 4.08Å; W325-L404 HydrophobicContact CZ3-CD1 4.46Å; W325-T408 HydrophobicContact CH2-CG2 4.21Å; W325-L411 HydrophobicContact CZ2-CD1 3.82Å; W325-S446 PolarHBondContact NE1-O 2.03Å; W325-Y449 HydrophobicContact CB-CD1 4.14Å; W325-Y449 HydrophobicContact CB-CD2 4.16Å; W325-Y449 HydrophobicContact CB-CE1 3.82Å; W325-Y449 HydrophobicContact CB-CE2 3.81Å; W325-Y449 HydrophobicContact CB-CG 4.36Å; W325-Y449 VanDerWaalsContact CD1-CB 3.5Å; W325-Y449 AromaticContact CD1-CD1 3.23Å; W325-Y449 AromaticContact CD1-CD2 3.58Å; W325-Y449 AromaticContact CD1-CE1 3.83Å; W325-Y449 AromaticContact CD1-CG 3.14Å; W325-Y449 AromaticContact CD2-CD1 3.52Å; W325-Y449 HydrophobicContact CD2-CD1 3.52Å; W325-Y449 AromaticContact CD2-CE1 3.63Å; W325-Y449 HydrophobicContact CD2-CE1 3.63Å; W325-Y449 HydrophobicContact CD2-CG 4.26Å; W325-Y449 AromaticContact CE2-CD1 3.54Å; W325-Y449 HydrophobicContact CE3-CD1 4.35Å; W325-Y449 HydrophobicContact CE3-CE1 4.12Å; W325-Y449 AromaticContact CG-CD1 3.35Å; W325-Y449 HydrophobicContact CG-CD1 3.35Å; W325-Y449 AromaticContact CG-CD2 3.95Å; W325-Y449 HydrophobicContact CG-CD2 3.95Å; W325-Y449 AromaticContact CG-CE1 3.45Å; W325-Y449 HydrophobicContact CG-CE1 3.45Å; W325-Y449 VanDerWaalsContact CG-CE1 3.45Å; W325-Y449 HydrophobicContact CG-CE2 4.01Å; W325-Y449 AromaticContact CG-CG 3.67Å; W325-Y449 HydrophobicContact CG-CG 3.67Å; W325-Y449 AromaticContact CG-CZ 3.83Å; W325-Y449 HydrophobicContact CZ2-CD1 4.38Å; W325-Y449 AromaticContact NE1-CD1 3.32Å; W325-Y449 VanDerWaalsContact NE1-CD1 3.32Å; W325-Y449 AromaticContact NE1-CG 3.46Å; W325-T450 HydrophobicContact CH2-CG2 4.01Å; W325-T450 HydrophobicContact CZ2-CG2 3.38Å |
| 326 | V | 97.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 11.5 Ų | 11.5 | 12% | 0.115 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 173 | 177 | 0 | 0 | 0 | 0 | 111 | S322 I323 L328 A329 L330 Y403 I406 | S322-V326 PolarHBondContact O-N 3.36Å; S322-V326 VanDerWaalsContact O-N 3.16Å; I323-V326 WeakPolarHBondContact O-CB 3.18Å; I323-V326 PolarHBondContact O-N 3.01Å; I323-V326 VanDerWaalsContact O-N 3.07Å; V326-L328 VanDerWaalsContact C-N 3.33Å; V326-L328 PolarHBondContact O-N 2.91Å; V326-A329 PolarHBondContact O-N 2.88Å; V326-L330 WeakPolarHBondContact O-CB 3.26Å; V326-L330 PolarHBondContact O-N 2.9Å; V326-Y403 VanDerWaalsContact CG2-O 3.29Å; V326-Y403 WeakPolarHBondContact CG2-O 3.39Å; V326-I406 HydrophobicContact CG1-CB 4.4Å; V326-I406 HydrophobicContact CG1-CG2 3.71Å |
| 327 | I | 96.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 10.9 Ų | 10.9 | 5% | 0.051 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 175.6 | -68.2 | 161.8 | 0 | 0 | 0 | 110.6 | P260 I323 W324 W325 A329 L330 T331 F352 A356 | P260-I327 HydrophobicContact CB-CG2 4.47Å; P260-I327 HydrophobicContact CG-CG2 4.03Å; I323-I327 HydrophobicContact CG2-CD1 3.92Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 3.4Å; W324-I327 HydrophobicContact CD2-CD1 4.27Å; W324-I327 HydrophobicContact CE3-CB 4.16Å; W324-I327 HydrophobicContact CE3-CD1 3.77Å; W324-I327 HydrophobicContact CE3-CG2 4.08Å; W324-I327 HydrophobicContact CZ3-CD1 3.93Å; W324-I327 HydrophobicContact CZ3-CG2 4.01Å; W324-I327 PolarHBondContact O-N 3.01Å; W325-I327 VanDerWaalsContact C-N 3.3Å; W325-I327 PolarHBondContact O-N 3.35Å; I327-A329 PolarHBondContact O-N 3.45Å; I327-L330 PolarHBondContact O-N 2.92Å; I327-T331 HydrophobicContact CG2-CG2 4.12Å; I327-T331 WeakPolarHBondContact O-CG2 3.21Å; I327-T331 PolarHBondContact O-N 3.22Å; I327-T331 PolarHBondContact O-OG1 2.75Å; I327-T331 VanDerWaalsContact O-OG1 3.11Å; I327-F352 HydrophobicContact CD1-CB 4.02Å; I327-F352 WeakPolarHBondContact CD1-O 3.27Å; I327-F352 HydrophobicContact CG1-CB 4.42Å; I327-F352 HydrophobicContact CG2-CB 4.01Å; I327-F352 HydrophobicContact CG2-CD1 4.36Å; I327-F352 HydrophobicContact CG2-CD2 4.36Å; I327-F352 HydrophobicContact CG2-CG 4Å; I327-A356 HydrophobicContact CD1-CB 3.85Å |
| 328 | L | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 174.8 | 179.4 | 64 | 0 | 0 | 0 | 111.6 | P260 I261 W324 W325 V326 T331 W332 I442 F445 | P260-L328 HydrophobicContact CB-CB 3.97Å; P260-L328 HydrophobicContact CB-CD1 4.2Å; P260-L328 HydrophobicContact CG-CD1 4.48Å; I261-L328 HydrophobicContact CD1-CD1 4.35Å; I261-L328 HydrophobicContact CG1-CD1 3.89Å; I261-L328 HydrophobicContact CG1-CD2 3.87Å; W324-L328 WeakPolarHBondContact O-CB 3.06Å; W324-L328 PolarHBondContact O-N 3.45Å; W325-L328 WeakPolarHBondContact O-CB 3.38Å; W325-L328 PolarHBondContact O-N 3.43Å; W325-L328 VanDerWaalsContact O-N 3.15Å; V326-L328 VanDerWaalsContact C-N 3.33Å; V326-L328 PolarHBondContact O-N 2.91Å; L328-T331 PolarHBondContact O-OG1 3.33Å; L328-W332 WeakPolarHBondContact O-CB 3.37Å; L328-W332 PolarHBondContact O-N 2.98Å; L328-I442 HydrophobicContact CD1-CG2 4.06Å; L328-F445 HydrophobicContact CD2-CD1 3.92Å; L328-F445 HydrophobicContact CD2-CE1 4.01Å |
| 329 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W325 V326 I327 F333 F410 L411 | W325-A329 PolarHBondContact O-N 2.9Å; V326-A329 PolarHBondContact O-N 2.88Å; I327-A329 PolarHBondContact O-N 3.45Å; A329-F333 WeakPolarHBondContact O-CB 3.38Å; A329-F333 PolarHBondContact O-N 2.87Å; A329-F410 HydrophobicContact CB-CB 4.09Å; A329-L411 HydrophobicContact CB-CD2 3.85Å; A329-L411 HydrophobicContact CB-CG 3.9Å |
| 330 | L | 95.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 26.5 Ų | 26.5 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -51.8 | 176 | 172.8 | 62.3 | 0 | 0 | 0 | 111.9 | V326 I327 W332 F333 L334 F352 F410 | V326-L330 WeakPolarHBondContact O-CB 3.26Å; V326-L330 PolarHBondContact O-N 2.9Å; I327-L330 PolarHBondContact O-N 2.92Å; L330-W332 PolarHBondContact O-N 3.2Å; L330-F333 PolarHBondContact O-N 3.04Å; L330-F333 VanDerWaalsContact O-N 3.13Å; L330-L334 HydrophobicContact CD1-CD1 4.09Å; L330-L334 HydrophobicContact CD1-CG 4.06Å; L330-L334 HydrophobicContact CG-CD1 4.07Å; L330-L334 HydrophobicContact CG-CG 4.43Å; L330-L334 WeakPolarHBondContact O-CG 3.46Å; L330-L334 PolarHBondContact O-N 3.23Å; L330-F352 HydrophobicContact CD2-CE1 4.06Å; L330-F410 HydrophobicContact CB-CD2 4.05Å; L330-F410 HydrophobicContact CB-CE2 4.13Å; L330-F410 HydrophobicContact CB-CG 4.48Å; L330-F410 HydrophobicContact CD1-CD1 4.18Å; L330-F410 HydrophobicContact CD1-CD2 4.48Å; L330-F410 HydrophobicContact CD1-CE1 3.79Å; L330-F410 HydrophobicContact CD1-CE2 4.09Å; L330-F410 HydrophobicContact CD1-CZ 3.75Å |
| 331 | T | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -33.1 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | Y256 P257 I327 L328 A335 I345 F352 | Y256-T331 HydrophobicContact CD1-CG2 4.14Å; Y256-T331 HydrophobicContact CE1-CG2 4.47Å; P257-T331 PolarHBondContact O-OG1 3.48Å; I327-T331 HydrophobicContact CG2-CG2 4.12Å; I327-T331 WeakPolarHBondContact O-CG2 3.21Å; I327-T331 PolarHBondContact O-N 3.22Å; I327-T331 PolarHBondContact O-OG1 2.75Å; I327-T331 VanDerWaalsContact O-OG1 3.11Å; L328-T331 PolarHBondContact O-OG1 3.33Å; T331-A335 WeakPolarHBondContact O-CB 3.24Å; T331-A335 PolarHBondContact O-N 3.15Å; T331-I345 HydrophobicContact CG2-CG2 3.7Å; T331-F352 HydrophobicContact CG2-CE2 4.05Å; T331-F352 HydrophobicContact CG2-CZ 4.29Å |
| 332 | W | 92.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 170.8 | 178.5 | 79.8 | 0 | 0 | 0 | 112 | L328 L330 A335 A336 L411 G414 F415 L418 M439 I442 | L328-W332 WeakPolarHBondContact O-CB 3.37Å; L328-W332 PolarHBondContact O-N 2.98Å; L330-W332 PolarHBondContact O-N 3.2Å; W332-A335 PolarHBondContact O-N 3.27Å; W332-A336 WeakPolarHBondContact O-CB 3.21Å; W332-A336 PolarHBondContact O-N 2.88Å; W332-L411 HydrophobicContact CD2-CD2 4.49Å; W332-L411 HydrophobicContact CE3-CD2 3.88Å; W332-L411 HydrophobicContact CZ3-CD2 4.04Å; W332-L411 VanDerWaalsContact CZ3-O 3.26Å; W332-L411 WeakPolarHBondContact CZ3-O 3.24Å; W332-G414 VanDerWaalsContact CZ3-C 3.42Å; W332-F415 HydrophobicContact CH2-CB 4.23Å; W332-L418 HydrophobicContact CH2-CD1 4.02Å; W332-L418 HydrophobicContact CZ2-CD1 3.35Å; W332-L418 HydrophobicContact CZ2-CG 4.44Å; W332-M439 PolarHBondContact NE1-O 3.27Å; W332-I442 HydrophobicContact CB-CG2 4.09Å; W332-I442 VanDerWaalsContact CD1-CG2 3.43Å; W332-I442 HydrophobicContact CG-CG2 3.99Å |
| 333 | F | 92.6 | Very high | 92 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.5 | 166.3 | -109.5 | 0 | 0 | 0 | 112.4 | A329 L330 A335 A336 G337 M338 F410 A413 | A329-F333 WeakPolarHBondContact O-CB 3.38Å; A329-F333 PolarHBondContact O-N 2.87Å; L330-F333 PolarHBondContact O-N 3.04Å; L330-F333 VanDerWaalsContact O-N 3.13Å; F333-A335 VanDerWaalsContact C-N 3.33Å; F333-A335 PolarHBondContact O-N 3.31Å; F333-A336 PolarHBondContact O-N 2.79Å; F333-G337 WeakPolarHBondContact O-CA 3.16Å; F333-G337 PolarHBondContact O-N 3.39Å; F333-M338 HydrophobicContact CE1-CG 4.14Å; F333-M338 HydrophobicContact CZ-CG 4.18Å; F333-M338 HydrophobicContact CZ-SD 4.36Å; F333-M338 PolarHBondContact O-N 3.36Å; F333-F410 HydrophobicContact CB-CB 4.31Å; F333-F410 AromaticContact CD1-CD1 4Å; F333-F410 HydrophobicContact CD1-CD1 4Å; F333-F410 HydrophobicContact CD1-CE1 4.47Å; F333-F410 HydrophobicContact CG-CD1 4.38Å; F333-A413 HydrophobicContact CD2-CB 3.83Å; F333-A413 HydrophobicContact CE2-CB 3.74Å; F333-A413 HydrophobicContact CZ-CB 4.46Å |
| 334 | L | 92.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.7 | -69 | 173.8 | 0 | 0 | 0 | 111.5 | L330 M338 K339 W340 I345 | L330-L334 HydrophobicContact CD1-CD1 4.09Å; L330-L334 HydrophobicContact CD1-CG 4.06Å; L330-L334 HydrophobicContact CG-CD1 4.07Å; L330-L334 HydrophobicContact CG-CG 4.43Å; L330-L334 WeakPolarHBondContact O-CG 3.46Å; L330-L334 PolarHBondContact O-N 3.23Å; L334-M338 HydrophobicContact CD2-CB 4.46Å; L334-M338 HydrophobicContact CD2-CG 4.14Å; L334-M338 CarbonylContact O-C 3.3Å; L334-M338 WeakPolarHBondContact O-CA 3.38Å; L334-M338 WeakPolarHBondContact O-CB 3.5Å; L334-M338 PolarHBondContact O-N 2.86Å; L334-K339 PolarHBondContact O-N 2.76Å; L334-K339 VanDerWaalsContact O-N 3.13Å; L334-W340 HydrophobicContact CB-CB 4.38Å; L334-W340 HydrophobicContact CB-CD2 4.25Å; L334-W340 HydrophobicContact CB-CE3 4.3Å; L334-W340 HydrophobicContact CB-CG 4.31Å; L334-W340 HydrophobicContact CD1-CE3 4.02Å; L334-W340 HydrophobicContact CD1-CZ3 4.03Å; L334-W340 HydrophobicContact CD2-CD2 4.23Å; L334-W340 HydrophobicContact CD2-CE3 4.37Å; L334-W340 HydrophobicContact CD2-CH2 4.44Å; L334-W340 HydrophobicContact CD2-CZ2 4.31Å; L334-W340 HydrophobicContact CD2-CZ3 4.47Å; L334-W340 HydrophobicContact CG-CE3 4.47Å; L334-W340 PolarHBondContact O-N 3.39Å; L334-I345 HydrophobicContact CB-CD1 4.45Å |
| 335 | A | 89.1 | Confident | 91.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P257 T331 W332 F333 K339 I345 M439 | P257-A335 HydrophobicContact CB-CB 4.49Å; P257-A335 HydrophobicContact CG-CB 4.12Å; T331-A335 WeakPolarHBondContact O-CB 3.24Å; T331-A335 PolarHBondContact O-N 3.15Å; W332-A335 PolarHBondContact O-N 3.27Å; F333-A335 VanDerWaalsContact C-N 3.33Å; F333-A335 PolarHBondContact O-N 3.31Å; A335-K339 VanDerWaalsContact O-CA 3.26Å; A335-K339 WeakPolarHBondContact O-CA 3.29Å; A335-K339 PolarHBondContact O-N 3.47Å; A335-I345 HydrophobicContact CB-CD1 4.22Å; A335-M439 HydrophobicContact CB-CE 3.75Å; A335-M439 WeakPolarHBondContact O-CE 3.42Å |
| 336 | A | 85.1 | Confident | 91.3 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.6 | -47.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | W332 F333 L418 I421 M439 | W332-A336 WeakPolarHBondContact O-CB 3.21Å; W332-A336 PolarHBondContact O-N 2.88Å; F333-A336 PolarHBondContact O-N 2.79Å; A336-L418 HydrophobicContact CB-CD1 4.35Å; A336-L418 HydrophobicContact CB-CD2 3.69Å; A336-L418 HydrophobicContact CB-CG 3.84Å; A336-I421 WeakPolarHBondContact O-CD1 3.34Å; A336-M439 HydrophobicContact CB-CE 3.99Å; A336-M439 HydrophobicContact CB-SD 4.36Å; A336-M439 VanDerWaalsContact N-CE 3.34Å |
| 337 | G | 84.2 | Confident | 91.1 | Very high | 20 Ų | 20 | 46 Ų | 46 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -44.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F333 K339 S417 | F333-G337 WeakPolarHBondContact O-CA 3.16Å; F333-G337 PolarHBondContact O-N 3.39Å; G337-K339 VanDerWaalsContact C-N 3.35Å; G337-S417 WeakPolarHBondContact CA-OG 3.36Å |
| 338 | M | 86.2 | Confident | 90.9 | Very high | 108 Ų | 108 | 48.3 Ų | 48.3 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -89.9 | -3.7 | -177.8 | -56.5 | -61.3 | -68.1 | 0 | 0 | 112.9 | F333 L334 W340 | F333-M338 HydrophobicContact CE1-CG 4.14Å; F333-M338 HydrophobicContact CZ-CG 4.18Å; F333-M338 HydrophobicContact CZ-SD 4.36Å; F333-M338 PolarHBondContact O-N 3.36Å; L334-M338 HydrophobicContact CD2-CB 4.46Å; L334-M338 HydrophobicContact CD2-CG 4.14Å; L334-M338 CarbonylContact O-C 3.3Å; L334-M338 WeakPolarHBondContact O-CA 3.38Å; L334-M338 WeakPolarHBondContact O-CB 3.5Å; L334-M338 PolarHBondContact O-N 2.86Å; M338-W340 HydrophobicContact CB-CG 4.31Å; M338-W340 PolarHBondContact O-N 3.37Å |
| 339 | K | 86.6 | Confident | 90.9 | Very high | 160 Ų | 160 | 49.4 Ų | 49.4 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | trans | 57.5 | 31.4 | -179.2 | -56.1 | -180 | 179.9 | 179.8 | 0 | 113.4 | L334 A335 G337 | L334-K339 PolarHBondContact O-N 2.76Å; L334-K339 VanDerWaalsContact O-N 3.13Å; A335-K339 VanDerWaalsContact O-CA 3.26Å; A335-K339 WeakPolarHBondContact O-CA 3.29Å; A335-K339 PolarHBondContact O-N 3.47Å; G337-K339 VanDerWaalsContact C-N 3.35Å | ||
| 340 | W | 89.9 | Confident | 90.8 | Very high | 93 Ų | 93 | 54 Ų | 54 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | trans | -69.4 | 134 | 177.4 | -73.8 | 21.5 | 0 | 0 | 0 | 110.8 | L334 M338 A344 I345 | L334-W340 HydrophobicContact CB-CB 4.38Å; L334-W340 HydrophobicContact CB-CD2 4.25Å; L334-W340 HydrophobicContact CB-CE3 4.3Å; L334-W340 HydrophobicContact CB-CG 4.31Å; L334-W340 HydrophobicContact CD1-CE3 4.02Å; L334-W340 HydrophobicContact CD1-CZ3 4.03Å; L334-W340 HydrophobicContact CD2-CD2 4.23Å; L334-W340 HydrophobicContact CD2-CE3 4.37Å; L334-W340 HydrophobicContact CD2-CH2 4.44Å; L334-W340 HydrophobicContact CD2-CZ2 4.31Å; L334-W340 HydrophobicContact CD2-CZ3 4.47Å; L334-W340 HydrophobicContact CG-CE3 4.47Å; L334-W340 PolarHBondContact O-N 3.39Å; M338-W340 HydrophobicContact CB-CG 4.31Å; M338-W340 PolarHBondContact O-N 3.37Å; W340-A344 HydrophobicContact CB-CB 4.48Å; W340-A344 HydrophobicContact CE3-CB 4.34Å; W340-I345 HydrophobicContact CB-CD1 4.26Å; W340-I345 HydrophobicContact CB-CG1 3.95Å; W340-I345 HydrophobicContact CE3-CG1 3.98Å | ||
| 341 | G | 87.9 | Confident | 90.9 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | trans | -73 | 164.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | E343 A344 I345 | G341-E343 VanDerWaalsContact C-N 3.27Å; G341-E343 PolarHBondContact O-N 3.44Å; G341-A344 PolarHBondContact O-N 2.98Å; G341-I345 PolarHBondContact O-N 3.37Å | ||
| 342 | H | 88.3 | Confident | 91 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 179.9 | 68.3 | 100.8 | 0 | 0 | 0 | 112.9 | Y256 I345 E346 | Y256-H342 WeakPolarHBondContact O-CB 3.44Å; H342-I345 PolarHBondContact O-N 2.84Å; H342-E346 VanDerWaalsContact O-CB 3.3Å; H342-E346 WeakPolarHBondContact O-CB 3.44Å; H342-E346 PolarHBondContact O-N 3.36Å |
| 343 | E | 90.9 | Very high | 91.1 | Very high | 146 Ų | 146 | 60.4 Ų | 60.4 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 178 | -60.4 | 179.5 | 171.7 | 0 | 0 | 112.2 | G341 I345 E346 A347 | G341-E343 VanDerWaalsContact C-N 3.27Å; G341-E343 PolarHBondContact O-N 3.44Å; E343-I345 PolarHBondContact O-N 2.83Å; E343-E346 PolarHBondContact O-N 2.99Å; E343-A347 WeakPolarHBondContact O-CB 3.4Å; E343-A347 PolarHBondContact O-N 2.89Å |
| 344 | A | 92 | Very high | 91.3 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W340 G341 | W340-A344 HydrophobicContact CB-CB 4.48Å; W340-A344 HydrophobicContact CE3-CB 4.34Å; G341-A344 PolarHBondContact O-N 2.98Å |
| 345 | I | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.9 | -43 | 175.2 | -60.9 | 171.6 | 0 | 0 | 0 | 110.2 | Y256 P257 T331 L334 A335 W340 G341 H342 E343 A347 N348 F352 | Y256-I345 HydrophobicContact CD1-CG2 3.71Å; Y256-I345 HydrophobicContact CG-CB 4.49Å; Y256-I345 HydrophobicContact CG-CG2 3.79Å; P257-I345 HydrophobicContact CB-CD1 4.4Å; T331-I345 HydrophobicContact CG2-CG2 3.7Å; L334-I345 HydrophobicContact CB-CD1 4.45Å; A335-I345 HydrophobicContact CB-CD1 4.22Å; W340-I345 HydrophobicContact CB-CD1 4.26Å; W340-I345 HydrophobicContact CB-CG1 3.95Å; W340-I345 HydrophobicContact CE3-CG1 3.98Å; G341-I345 PolarHBondContact O-N 3.37Å; H342-I345 PolarHBondContact O-N 2.84Å; E343-I345 PolarHBondContact O-N 2.83Å; I345-A347 VanDerWaalsContact C-N 3.31Å; I345-A347 PolarHBondContact O-N 2.8Å; I345-N348 PolarHBondContact O-N 2.83Å; I345-N348 VanDerWaalsContact O-N 3.14Å; I345-F352 HydrophobicContact CG2-CE2 3.84Å; I345-F352 HydrophobicContact CG2-CZ 4.36Å |
| 346 | E | 92 | Very high | 91.9 | Very high | 70 Ų | 70 | 64.5 Ų | 64.5 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | -179.2 | -173.9 | 158.4 | -155.2 | 0 | 0 | 112.7 | Y256 R259 H342 E343 N348 S349 | Y256-E346 HydrophobicContact CD2-CB 3.83Å; Y256-E346 HydrophobicContact CD2-CG 4.08Å; Y256-E346 HydrophobicContact CE2-CB 4.38Å; Y256-E346 HydrophobicContact CE2-CG 4.27Å; R259-E346 IonicContact NH1-OE1 2.72Å; R259-E346 PolarHBondContact NH1-OE1 3.38Å; H342-E346 VanDerWaalsContact O-CB 3.3Å; H342-E346 WeakPolarHBondContact O-CB 3.44Å; H342-E346 PolarHBondContact O-N 3.36Å; E343-E346 PolarHBondContact O-N 2.99Å; E346-N348 PolarHBondContact O-N 2.98Å; E346-N348 VanDerWaalsContact O-N 3.12Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.49Å; E346-S349 PolarHBondContact O-OG 3.37Å |
| 347 | A | 93.8 | Very high | 92.5 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | E343 I345 Q350 | E343-A347 WeakPolarHBondContact O-CB 3.4Å; E343-A347 PolarHBondContact O-N 2.89Å; I345-A347 VanDerWaalsContact C-N 3.31Å; I345-A347 PolarHBondContact O-N 2.8Å; A347-Q350 PolarHBondContact O-NE2 3Å; A347-Q350 PolarHBondContact O-OE1 2.71Å |
| 348 | N | 93.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.5 | 178.1 | -69 | -17.3 | 0 | 0 | 0 | 113.5 | I345 E346 Q350 Y351 F352 | I345-N348 PolarHBondContact O-N 2.83Å; I345-N348 VanDerWaalsContact O-N 3.14Å; E346-N348 PolarHBondContact O-N 2.98Å; E346-N348 VanDerWaalsContact O-N 3.12Å; N348-Q350 PolarHBondContact O-N 2.55Å; N348-Q350 VanDerWaalsContact O-N 3.15Å; N348-Y351 HydrophobicContact CB-CD2 4.42Å; N348-Y351 PolarHBondContact O-N 3.19Å; N348-Y351 VanDerWaalsContact O-N 3.12Å; N348-F352 HydrophobicContact CB-CE2 4.5Å; N348-F352 HydrophobicContact CB-CZ 4.21Å |
| 349 | S | 92.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -27.9 | -173 | 61 | 0 | 0 | 0 | 0 | 114.6 | Y256 E346 Y351 F352 H353 | Y256-S349 WeakPolarHBondContact OH-CB 3.37Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.49Å; E346-S349 PolarHBondContact O-OG 3.37Å; S349-Y351 VanDerWaalsContact C-N 3.26Å; S349-Y351 PolarHBondContact O-N 3.19Å; S349-F352 PolarHBondContact O-N 3.34Å; S349-H353 PolarHBondContact O-CD2 3.45Å; S349-H353 VanDerWaalsContact O-CD2 3.27Å; S349-H353 PolarHBondContact O-N 3.37Å; S349-H353 VanDerWaalsContact O-N 3.1Å |
| 350 | Q | 94.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.1 | -38.8 | 175.2 | 58.4 | -79.6 | -16.1 | 0 | 0 | 113 | A347 N348 H353 L354 | A347-Q350 PolarHBondContact O-NE2 3Å; A347-Q350 PolarHBondContact O-OE1 2.71Å; N348-Q350 PolarHBondContact O-N 2.55Å; N348-Q350 VanDerWaalsContact O-N 3.15Å; Q350-H353 PolarHBondContact O-N 3.31Å; Q350-L354 WeakPolarHBondContact O-CB 3.3Å; Q350-L354 PolarHBondContact O-N 2.56Å |
| 351 | Y | 96.1 | Very high | 94.5 | Very high | 150 Ų | 150 | 53.7 Ų | 53.7 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.4 | -37.6 | -178.8 | -62.6 | -66.2 | 0 | 0 | 0 | 111.7 | N348 S349 L354 A355 | N348-Y351 HydrophobicContact CB-CD2 4.42Å; N348-Y351 PolarHBondContact O-N 3.19Å; N348-Y351 VanDerWaalsContact O-N 3.12Å; S349-Y351 VanDerWaalsContact C-N 3.26Å; S349-Y351 PolarHBondContact O-N 3.19Å; Y351-L354 PolarHBondContact O-N 3.5Å; Y351-A355 WeakPolarHBondContact O-CB 3.36Å; Y351-A355 PolarHBondContact O-N 3.24Å |
| 352 | F | 96.5 | Very high | 95 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.8 | -54.2 | -29.9 | 0 | 0 | 0 | 111 | Y256 I327 L330 T331 I345 N348 S349 A355 A356 | Y256-F352 HydrophobicContact CE1-CD2 4.05Å; Y256-F352 HydrophobicContact CE1-CE2 4.41Å; I327-F352 HydrophobicContact CD1-CB 4.02Å; I327-F352 WeakPolarHBondContact CD1-O 3.27Å; I327-F352 HydrophobicContact CG1-CB 4.42Å; I327-F352 HydrophobicContact CG2-CB 4.01Å; I327-F352 HydrophobicContact CG2-CD1 4.36Å; I327-F352 HydrophobicContact CG2-CD2 4.36Å; I327-F352 HydrophobicContact CG2-CG 4Å; L330-F352 HydrophobicContact CD2-CE1 4.06Å; T331-F352 HydrophobicContact CG2-CE2 4.05Å; T331-F352 HydrophobicContact CG2-CZ 4.29Å; I345-F352 HydrophobicContact CG2-CE2 3.84Å; I345-F352 HydrophobicContact CG2-CZ 4.36Å; N348-F352 HydrophobicContact CB-CE2 4.5Å; N348-F352 HydrophobicContact CB-CZ 4.21Å; S349-F352 PolarHBondContact O-N 3.34Å; F352-A355 PolarHBondContact O-N 3.28Å; F352-A356 WeakPolarHBondContact O-CB 3.46Å; F352-A356 PolarHBondContact O-N 2.94Å |
| 353 | H | 95.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.8 | -80 | -69.9 | 0 | 0 | 0 | 112.8 | F263 W324 S349 Q350 A355 A356 W357 | F263-H353 AromaticContact CE1-CE1 3.73Å; F263-H353 AromaticContact CE2-CE1 3.49Å; F263-H353 VanDerWaalsContact CE2-CE1 3.49Å; F263-H353 WeakPolarHBondContact CE2-CE1 3.44Å; F263-H353 AromaticContact CE2-NE2 3.71Å; F263-H353 AromaticContact CZ-CE1 3.3Å; F263-H353 WeakPolarHBondContact CZ-CE1 3.24Å; F263-H353 AromaticContact CZ-NE2 3.68Å; W324-H353 AromaticContact CH2-CE1 3.38Å; W324-H353 WeakPolarHBondContact CH2-CE1 3.41Å; W324-H353 AromaticContact CH2-ND1 3.46Å; W324-H353 WeakPolarHBondContact CH2-ND1 3.38Å; W324-H353 AromaticContact CH2-NE2 3.9Å; W324-H353 AromaticContact CZ2-CE1 3.62Å; W324-H353 AromaticContact CZ2-ND1 3.44Å; W324-H353 WeakPolarHBondContact CZ2-ND1 3.45Å; S349-H353 PolarHBondContact O-CD2 3.45Å; S349-H353 VanDerWaalsContact O-CD2 3.27Å; S349-H353 PolarHBondContact O-N 3.37Å; S349-H353 VanDerWaalsContact O-N 3.1Å; Q350-H353 PolarHBondContact O-N 3.31Å; H353-A355 PolarHBondContact O-N 3.23Å; H353-A356 PolarHBondContact O-N 3.34Å; H353-W357 AromaticContact ND1-NE1 3.35Å; H353-W357 PolarHBondContact ND1-NE1 3.01Å; H353-W357 PolarHBondContact O-N 3.16Å; H353-W357 VanDerWaalsContact O-N 3.13Å |
| 354 | L | 96.4 | Very high | 95.7 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 59% | 0.592 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59 | -49 | 177.1 | -178.5 | 64.5 | 0 | 0 | 0 | 110.9 | Q350 Y351 A358 | Q350-L354 WeakPolarHBondContact O-CB 3.3Å; Q350-L354 PolarHBondContact O-N 2.56Å; Y351-L354 PolarHBondContact O-N 3.5Å; L354-A358 HydrophobicContact CD1-CB 4.22Å; L354-A358 WeakPolarHBondContact O-CB 3.19Å; L354-A358 PolarHBondContact O-N 2.69Å |
| 355 | A | 96.2 | Very high | 95.9 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y351 F352 H353 W357 V359 | Y351-A355 WeakPolarHBondContact O-CB 3.36Å; Y351-A355 PolarHBondContact O-N 3.24Å; F352-A355 PolarHBondContact O-N 3.28Å; H353-A355 PolarHBondContact O-N 3.23Å; A355-W357 VanDerWaalsContact C-N 3.28Å; A355-W357 PolarHBondContact O-N 3.03Å; A355-V359 WeakPolarHBondContact O-CB 2.93Å; A355-V359 WeakPolarHBondContact O-CG2 3.42Å; A355-V359 PolarHBondContact O-N 3.36Å |
| 356 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -25.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I323 W324 I327 F352 H353 P360 | I323-A356 HydrophobicContact CG2-CB 4.07Å; W324-A356 HydrophobicContact CD2-CB 4Å; W324-A356 VanDerWaalsContact CE2-CB 3.48Å; W324-A356 HydrophobicContact CG-CB 4.35Å; W324-A356 HydrophobicContact CH2-CB 4.4Å; W324-A356 HydrophobicContact CZ2-CB 3.71Å; I327-A356 HydrophobicContact CD1-CB 3.85Å; F352-A356 WeakPolarHBondContact O-CB 3.46Å; F352-A356 PolarHBondContact O-N 2.94Å; H353-A356 PolarHBondContact O-N 3.34Å; A356-P360 VanDerWaalsContact O-CD 3.23Å; A356-P360 WeakPolarHBondContact O-CD 3.33Å; A356-P360 VanDerWaalsContact O-CG 3.23Å; A356-P360 WeakPolarHBondContact O-CG 3.24Å |
| 357 | W | 97.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -106 | -39.6 | -177.8 | -55.2 | 134.9 | 0 | 0 | 0 | 113.4 | W1 F6 F316 A320 W324 H353 A355 A361 | W1-W357 AromaticContact CE3-NE1 3.81Å; W1-W357 HydrophobicContact CZ3-CZ2 4.37Å; W1-W357 AromaticContact CZ3-NE1 3.55Å; F6-W357 HydrophobicContact CD2-CZ2 4.14Å; F6-W357 AromaticContact CE2-CH2 3.77Å; F6-W357 HydrophobicContact CE2-CH2 3.77Å; F6-W357 AromaticContact CE2-CZ2 3.74Å; F6-W357 HydrophobicContact CE2-CZ2 3.74Å; F6-W357 HydrophobicContact CZ-CH2 4.43Å; F316-W357 HydrophobicContact CE1-CE3 4.04Å; F316-W357 HydrophobicContact CE1-CZ3 4.23Å; F316-W357 AromaticContact CZ-CE3 3.93Å; F316-W357 HydrophobicContact CZ-CE3 3.93Å; A320-W357 HydrophobicContact CB-CE3 3.94Å; A320-W357 HydrophobicContact CB-CZ3 3.62Å; W324-W357 AromaticContact CE2-CZ2 3.89Å; W324-W357 AromaticContact CZ2-CZ2 3.82Å; W324-W357 HydrophobicContact CZ2-CZ2 3.82Å; W324-W357 AromaticContact NE1-CE2 3.96Å; W324-W357 AromaticContact NE1-CH2 3.25Å; W324-W357 AromaticContact NE1-CZ2 3.37Å; W324-W357 AromaticContact NE1-CZ3 3.76Å; H353-W357 AromaticContact ND1-NE1 3.35Å; H353-W357 PolarHBondContact ND1-NE1 3.01Å; H353-W357 PolarHBondContact O-N 3.16Å; H353-W357 VanDerWaalsContact O-N 3.13Å; A355-W357 VanDerWaalsContact C-N 3.28Å; A355-W357 PolarHBondContact O-N 3.03Å; W357-A361 VanDerWaalsContact O-CB 3.24Å; W357-A361 WeakPolarHBondContact O-CB 3.38Å; W357-A361 PolarHBondContact O-N 3.32Å; W357-A361 VanDerWaalsContact O-N 3.13Å |
| 358 | A | 96.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | L354 A361 I362 | L354-A358 HydrophobicContact CD1-CB 4.22Å; L354-A358 WeakPolarHBondContact O-CB 3.19Å; L354-A358 PolarHBondContact O-N 2.69Å; A358-A361 PolarHBondContact O-N 2.88Å; A358-I362 VanDerWaalsContact O-CG1 3.28Å; A358-I362 WeakPolarHBondContact O-CG1 3.27Å; A358-I362 PolarHBondContact O-N 2.84Å |
| 359 | V | 97.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 35% | 0.345 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | -178.1 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | I323 A355 A361 K363 Y403 | I323-V359 HydrophobicContact CD1-CB 3.81Å; I323-V359 HydrophobicContact CD1-CG1 3.91Å; A355-V359 WeakPolarHBondContact O-CB 2.93Å; A355-V359 WeakPolarHBondContact O-CG2 3.42Å; A355-V359 PolarHBondContact O-N 3.36Å; V359-A361 PolarHBondContact O-N 3.22Å; V359-K363 HydrophobicContact CG1-CD 4.3Å; V359-K363 WeakPolarHBondContact O-CG 3.15Å; V359-K363 PolarHBondContact O-N 3.41Å; V359-K363 VanDerWaalsContact O-N 3.14Å; V359-Y403 WeakPolarHBondContact CG1-OH 3.34Å |
| 360 | P | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 173.4 | -26.1 | 38.8 | 0 | 0 | 0 | 113 | F316 M319 A320 I323 A356 K363 T364 | F316-P360 HydrophobicContact CD2-CB 3.73Å; F316-P360 HydrophobicContact CE2-CB 3.9Å; F316-P360 HydrophobicContact CG-CB 4.37Å; M319-P360 HydrophobicContact CB-CB 3.91Å; M319-P360 HydrophobicContact CB-CG 4Å; A320-P360 HydrophobicContact CB-CB 4.48Å; A320-P360 HydrophobicContact CB-CG 3.94Å; I323-P360 HydrophobicContact CD1-CG 3.74Å; A356-P360 VanDerWaalsContact O-CD 3.23Å; A356-P360 WeakPolarHBondContact O-CD 3.33Å; A356-P360 VanDerWaalsContact O-CG 3.23Å; A356-P360 WeakPolarHBondContact O-CG 3.24Å; P360-K363 PolarHBondContact O-N 2.85Å; P360-T364 PolarHBondContact O-N 2.96Å; P360-T364 PolarHBondContact O-OG1 2.91Å |
| 361 | A | 97.6 | Very high | 96.3 | Very high | 33 Ų | 33 | 49 Ų | 49 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F316 W357 A358 V359 K363 T364 I365 | F316-A361 HydrophobicContact CE2-CB 3.98Å; W357-A361 VanDerWaalsContact O-CB 3.24Å; W357-A361 WeakPolarHBondContact O-CB 3.38Å; W357-A361 PolarHBondContact O-N 3.32Å; W357-A361 VanDerWaalsContact O-N 3.13Å; A358-A361 PolarHBondContact O-N 2.88Å; V359-A361 PolarHBondContact O-N 3.22Å; A361-K363 VanDerWaalsContact C-N 3.33Å; A361-K363 PolarHBondContact O-N 2.79Å; A361-T364 PolarHBondContact O-N 3.19Å; A361-I365 VanDerWaalsContact O-CG1 3.26Å; A361-I365 WeakPolarHBondContact O-CG1 3.36Å; A361-I365 PolarHBondContact O-N 3.46Å |
| 362 | I | 97.7 | Very high | 96.2 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 54% | 0.544 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.9 | -68.7 | 165.2 | 0 | 0 | 0 | 109.7 | A358 T364 I365 T366 | A358-I362 VanDerWaalsContact O-CG1 3.28Å; A358-I362 WeakPolarHBondContact O-CG1 3.27Å; A358-I362 PolarHBondContact O-N 2.84Å; I362-T364 PolarHBondContact O-N 3.33Å; I362-I365 PolarHBondContact O-N 2.94Å; I362-T366 PolarHBondContact O-N 3.41Å; I362-T366 PolarHBondContact O-OG1 2.84Å |
| 363 | K | 96.5 | Very high | 96.2 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 178.7 | -68.4 | 178 | 76.9 | -156 | 0 | 112.2 | Y315 M319 V359 P360 A361 I365 T366 I367 F395 | Y315-K363 HydrophobicContact CE1-CB 3.94Å; Y315-K363 WeakPolarHBondContact OH-CE 3.29Å; Y315-K363 PolarHBondContact OH-NZ 3.43Å; M319-K363 PolarHBondContact SD-NZ 3.44Å; V359-K363 HydrophobicContact CG1-CD 4.3Å; V359-K363 WeakPolarHBondContact O-CG 3.15Å; V359-K363 PolarHBondContact O-N 3.41Å; V359-K363 VanDerWaalsContact O-N 3.14Å; P360-K363 PolarHBondContact O-N 2.85Å; A361-K363 VanDerWaalsContact C-N 3.33Å; A361-K363 PolarHBondContact O-N 2.79Å; K363-I365 PolarHBondContact O-N 3.32Å; K363-T366 PolarHBondContact O-N 2.87Å; K363-I367 WeakPolarHBondContact O-CD1 3.48Å; K363-I367 VanDerWaalsContact O-CG1 3.25Å; K363-I367 WeakPolarHBondContact O-CG1 3.46Å; K363-I367 PolarHBondContact O-N 3.4Å; K363-F395 WeakPolarHBondContact CE-O 3.31Å; K363-F395 PolarHBondContact NZ-O 3.45Å |
| 364 | T | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 177 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | F311 M312 P360 A361 I362 T366 I367 L368 | F311-T364 HydrophobicContact CE1-CG2 4.2Å; M312-T364 HydrophobicContact CG-CG2 4.06Å; P360-T364 PolarHBondContact O-N 2.96Å; P360-T364 PolarHBondContact O-OG1 2.91Å; A361-T364 PolarHBondContact O-N 3.19Å; I362-T364 PolarHBondContact O-N 3.33Å; T364-T366 PolarHBondContact O-N 3.34Å; T364-I367 PolarHBondContact O-N 3.41Å; T364-L368 HydrophobicContact CG2-CD1 4.15Å; T364-L368 HydrophobicContact CG2-CG 4.46Å; T364-L368 VanDerWaalsContact O-CG 3.31Å; T364-L368 WeakPolarHBondContact O-CG 3.16Å; T364-L368 PolarHBondContact O-N 3.5Å |
| 365 | I | 97.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 38.5 Ų | 38.5 | 59% | 0.59 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.8 | -45.1 | 178.3 | -68.4 | 163.9 | 0 | 0 | 0 | 110.8 | A361 I362 K363 I367 L368 A369 | A361-I365 VanDerWaalsContact O-CG1 3.26Å; A361-I365 WeakPolarHBondContact O-CG1 3.36Å; A361-I365 PolarHBondContact O-N 3.46Å; I362-I365 PolarHBondContact O-N 2.94Å; K363-I365 PolarHBondContact O-N 3.32Å; I365-I367 PolarHBondContact O-N 3.47Å; I365-L368 PolarHBondContact O-N 2.8Å; I365-A369 WeakPolarHBondContact O-CB 3.35Å; I365-A369 PolarHBondContact O-N 3.37Å |
| 366 | T | 96.5 | Very high | 96 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -46 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | I362 K363 T364 L368 A369 V370 F395 | I362-T366 PolarHBondContact O-N 3.41Å; I362-T366 PolarHBondContact O-OG1 2.84Å; K363-T366 PolarHBondContact O-N 2.87Å; T364-T366 PolarHBondContact O-N 3.34Å; T366-L368 PolarHBondContact O-N 3.37Å; T366-A369 PolarHBondContact O-N 3.48Å; T366-V370 WeakPolarHBondContact O-CG2 3.38Å; T366-V370 PolarHBondContact O-N 3.14Å; T366-F395 HydrophobicContact CG2-CE1 3.83Å; T366-F395 HydrophobicContact CG2-CZ 3.87Å |
| 367 | I | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 180 | -65.6 | 161.1 | 0 | 0 | 0 | 111.6 | F311 Y315 K363 T364 I365 A369 V370 G371 Q372 V373 V384 F395 | F311-I367 HydrophobicContact CE1-CB 4.42Å; F311-I367 HydrophobicContact CE1-CG2 3.99Å; F311-I367 HydrophobicContact CE2-CG2 4.07Å; F311-I367 HydrophobicContact CZ-CB 3.88Å; F311-I367 HydrophobicContact CZ-CD1 4.02Å; F311-I367 HydrophobicContact CZ-CG2 3.36Å; Y315-I367 HydrophobicContact CD1-CD1 4.03Å; Y315-I367 HydrophobicContact CD2-CD1 4.37Å; Y315-I367 HydrophobicContact CE1-CD1 3.42Å; Y315-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y315-I367 HydrophobicContact CE2-CD1 3.79Å; Y315-I367 HydrophobicContact CG-CD1 4.48Å; Y315-I367 WeakPolarHBondContact OH-CD1 3.5Å; K363-I367 WeakPolarHBondContact O-CD1 3.48Å; K363-I367 VanDerWaalsContact O-CG1 3.25Å; K363-I367 WeakPolarHBondContact O-CG1 3.46Å; K363-I367 PolarHBondContact O-N 3.4Å; T364-I367 PolarHBondContact O-N 3.41Å; I365-I367 PolarHBondContact O-N 3.47Å; I367-A369 VanDerWaalsContact C-N 3.33Å; I367-V370 WeakPolarHBondContact O-CG2 3.02Å; I367-V370 PolarHBondContact O-N 3.35Å; I367-G371 PolarHBondContact O-N 3Å; I367-Q372 HydrophobicContact CG2-CB 4.28Å; I367-Q372 VanDerWaalsContact CG2-O 3.24Å; I367-Q372 WeakPolarHBondContact CG2-O 2.96Å; I367-Q372 PolarHBondContact O-N 2.83Å; I367-V373 HydrophobicContact CG2-CG2 4.1Å; I367-V384 HydrophobicContact CD1-CB 4.43Å; I367-V384 HydrophobicContact CD1-CG1 4.16Å; I367-V384 HydrophobicContact CD1-CG2 4.38Å; I367-V384 HydrophobicContact CG1-CG2 4.47Å; I367-V384 HydrophobicContact CG2-CB 4.2Å; I367-V384 HydrophobicContact CG2-CG2 4.05Å; I367-F395 HydrophobicContact CD1-CB 3.83Å; I367-F395 HydrophobicContact CD1-CD1 3.78Å; I367-F395 HydrophobicContact CD1-CD2 4.49Å; I367-F395 HydrophobicContact CD1-CE1 4.49Å; I367-F395 HydrophobicContact CD1-CG 3.78Å; I367-F395 HydrophobicContact CG1-CB 4.19Å; I367-F395 HydrophobicContact CG1-CD1 3.49Å; I367-F395 VanDerWaalsContact CG1-CD1 3.49Å; I367-F395 HydrophobicContact CG1-CD2 3.92Å; I367-F395 HydrophobicContact CG1-CE1 3.75Å; I367-F395 HydrophobicContact CG1-CE2 4.16Å; I367-F395 HydrophobicContact CG1-CG 3.59Å; I367-F395 HydrophobicContact CG1-CZ 4.08Å |
| 368 | L | 95.9 | Very high | 95.6 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.3 | -68.5 | 175.1 | 0 | 0 | 0 | 111.6 | T302 T308 F311 M312 T364 I365 T366 G371 V373 | T302-L368 HydrophobicContact CG2-CB 4.42Å; T302-L368 HydrophobicContact CG2-CD2 3.68Å; T308-L368 HydrophobicContact CG2-CD2 3.65Å; F311-L368 HydrophobicContact CD1-CD2 3.91Å; F311-L368 HydrophobicContact CE1-CD2 3.82Å; F311-L368 HydrophobicContact CE1-CG 4.15Å; M312-L368 HydrophobicContact CE-CD1 4.39Å; M312-L368 HydrophobicContact CG-CD1 4Å; M312-L368 HydrophobicContact CG-CD2 4.38Å; M312-L368 HydrophobicContact SD-CD1 3.94Å; T364-L368 HydrophobicContact CG2-CD1 4.15Å; T364-L368 HydrophobicContact CG2-CG 4.46Å; T364-L368 VanDerWaalsContact O-CG 3.31Å; T364-L368 WeakPolarHBondContact O-CG 3.16Å; T364-L368 PolarHBondContact O-N 3.5Å; I365-L368 PolarHBondContact O-N 2.8Å; T366-L368 PolarHBondContact O-N 3.37Å; L368-G371 PolarHBondContact O-N 3.44Å; L368-V373 HydrophobicContact CD2-CG2 4.25Å |
| 369 | A | 95 | Very high | 95.5 | Very high | 86 Ų | 86 | 36 Ų | 36 | 71% | 0.711 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.1 | -37 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I365 T366 I367 G371 | I365-A369 WeakPolarHBondContact O-CB 3.35Å; I365-A369 PolarHBondContact O-N 3.37Å; T366-A369 PolarHBondContact O-N 3.48Å; I367-A369 VanDerWaalsContact C-N 3.33Å; A369-G371 VanDerWaalsContact C-N 3.32Å |
| 370 | V | 92.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -84.3 | -4.4 | 175.5 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | T366 I367 Q372 F395 | T366-V370 WeakPolarHBondContact O-CG2 3.38Å; T366-V370 PolarHBondContact O-N 3.14Å; I367-V370 WeakPolarHBondContact O-CG2 3.02Å; I367-V370 PolarHBondContact O-N 3.35Å; V370-Q372 VanDerWaalsContact C-N 3.28Å; V370-Q372 HydrophobicContact CB-CG 4.16Å; V370-Q372 HydrophobicContact CG2-CB 3.86Å; V370-Q372 HydrophobicContact CG2-CG 3.46Å; V370-Q372 VanDerWaalsContact CG2-CG 3.46Å; V370-Q372 PolarHBondContact O-N 2.91Å; V370-F395 HydrophobicContact CG2-CE2 4.48Å |
| 371 | G | 92.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 25.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G301 I367 L368 A369 V373 | G301-G371 WeakPolarHBondContact CA-O 3.37Å; I367-G371 PolarHBondContact O-N 3Å; L368-G371 PolarHBondContact O-N 3.44Å; A369-G371 VanDerWaalsContact C-N 3.32Å; G371-V373 VanDerWaalsContact C-N 3.3Å; G371-V373 PolarHBondContact O-N 3.33Å; G371-V373 VanDerWaalsContact O-N 3.15Å |
| 372 | Q | 93.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | trans | -90.4 | 61.4 | -177.6 | -65.1 | -68.7 | -50.2 | 0 | 0 | 111.2 | I367 V370 V384 S388 A391 | I367-Q372 HydrophobicContact CG2-CB 4.28Å; I367-Q372 VanDerWaalsContact CG2-O 3.24Å; I367-Q372 WeakPolarHBondContact CG2-O 2.96Å; I367-Q372 PolarHBondContact O-N 2.83Å; V370-Q372 VanDerWaalsContact C-N 3.28Å; V370-Q372 HydrophobicContact CB-CG 4.16Å; V370-Q372 HydrophobicContact CG2-CB 3.86Å; V370-Q372 HydrophobicContact CG2-CG 3.46Å; V370-Q372 VanDerWaalsContact CG2-CG 3.46Å; V370-Q372 PolarHBondContact O-N 2.91Å; Q372-V384 HydrophobicContact CB-CG2 4.29Å; Q372-V384 WeakPolarHBondContact O-CB 3.17Å; Q372-V384 VanDerWaalsContact O-CG2 3.29Å; Q372-V384 WeakPolarHBondContact O-CG2 3.49Å; Q372-S388 VanDerWaalsContact OE1-CB 3.28Å; Q372-S388 PolarHBondContact OE1-OG 2.74Å; Q372-A391 HydrophobicContact CB-CB 4.19Å; Q372-A391 HydrophobicContact CG-CB 4.3Å | ||
| 373 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -120.4 | 127.2 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | Q300 G301 T302 F311 I367 L368 G371 C382 | Q300-V373 CarbonylContact C-O 3.52Å; Q300-V373 WeakPolarHBondContact CA-O 3.1Å; G301-V373 PolarHBondContact N-O 3.15Å; T302-V373 HydrophobicContact CG2-CG2 4.22Å; F311-V373 HydrophobicContact CB-CG1 3.72Å; F311-V373 HydrophobicContact CD1-CG1 4.2Å; F311-V373 HydrophobicContact CD1-CG2 3.61Å; F311-V373 HydrophobicContact CD2-CG1 4.13Å; F311-V373 HydrophobicContact CD2-CG2 4.22Å; F311-V373 HydrophobicContact CE1-CG2 3.73Å; F311-V373 HydrophobicContact CE2-CG2 4.33Å; F311-V373 HydrophobicContact CG-CB 4.45Å; F311-V373 HydrophobicContact CG-CG1 3.72Å; F311-V373 HydrophobicContact CG-CG2 3.88Å; F311-V373 HydrophobicContact CZ-CG2 4.11Å; I367-V373 HydrophobicContact CG2-CG2 4.1Å; L368-V373 HydrophobicContact CD2-CG2 4.25Å; G371-V373 VanDerWaalsContact C-N 3.3Å; G371-V373 PolarHBondContact O-N 3.33Å; G371-V373 VanDerWaalsContact O-N 3.15Å; V373-C382 HydrophobicContact CG1-CB 4.05Å | ||
| 374 | D | 95.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.8 | -177.1 | -63.6 | -55 | 0 | 0 | 0 | 110.2 | C382 F383 I386 N387 | D374-C382 CarbonylContact O-C 3.38Å; D374-C382 VanDerWaalsContact O-CA 3.24Å; D374-C382 WeakPolarHBondContact O-CA 3.36Å; D374-C382 WeakPolarHBondContact O-CB 3.36Å; D374-F383 PolarHBondContact N-O 2.94Å; D374-F383 PolarHBondContact O-N 3.02Å; D374-I386 HydrophobicContact CB-CB 3.68Å; D374-I386 HydrophobicContact CB-CD1 3.93Å; D374-I386 HydrophobicContact CB-CG1 4.02Å; D374-I386 PolarHBondContact OD2-N 3.46Å; D374-N387 VanDerWaalsContact CG-ND2 3.28Å; D374-N387 PolarHBondContact OD1-ND2 2.86Å; D374-N387 PolarHBondContact OD2-N 3.25Å |
| 375 | G | 95.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | V298 V299 | V298-G375 VanDerWaalsContact CG1-O 3.28Å; V298-G375 WeakPolarHBondContact CG1-O 3.26Å; V299-G375 PolarHBondContact O-N 2.97Å |
| 376 | D | 94.7 | Very high | 94.4 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 12% | 0.118 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.1 | 172.7 | -177.6 | 3.7 | 0 | 0 | 0 | 110.4 | L378 S379 G380 V381 I386 Y505 | D376-L378 VanDerWaalsContact C-N 3.27Å; D376-L378 PolarHBondContact O-N 3.08Å; D376-L378 PolarHBondContact OD1-N 2.89Å; D376-S379 VanDerWaalsContact CB-OG 3.31Å; D376-S379 WeakPolarHBondContact CB-OG 3.15Å; D376-S379 PolarHBondContact O-N 2.9Å; D376-S379 WeakPolarHBondContact OD2-CB 3.28Å; D376-S379 PolarHBondContact OD2-OG 2.99Å; D376-G380 PolarHBondContact O-N 3.34Å; D376-V381 WeakPolarHBondContact CA-O 3.32Å; D376-V381 WeakPolarHBondContact CB-O 3.5Å; D376-V381 PolarHBondContact N-O 3.15Å; D376-I386 HydrophobicContact CB-CD1 3.55Å; D376-Y505 PolarHBondContact OD2-OH 3.49Å |
| 377 | V | 92.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.7 | -174.6 | -158.2 | 0 | 0 | 0 | 0 | 111.7 | L222 R226 V286 V298 | L222-V377 VanDerWaalsContact CD2-C 3.49Å; L222-V377 HydrophobicContact CD2-CB 4.15Å; L222-V377 HydrophobicContact CD2-CG1 3.65Å; L222-V377 WeakPolarHBondContact CD2-O 3.44Å; R226-V377 PolarHBondContact NH2-O 2.76Å; R226-V377 VanDerWaalsContact NH2-O 3.11Å; V286-V377 HydrophobicContact CG1-CB 4.37Å; V286-V377 HydrophobicContact CG1-CG2 4.03Å; V298-V377 HydrophobicContact CG2-CG2 3.81Å |
| 378 | L | 93.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -45 | -178.7 | -80 | 174.3 | 0 | 0 | 0 | 112.1 | F217 L222 A225 R226 D376 F498 F501 | F217-L378 HydrophobicContact CB-CD2 4.4Å; F217-L378 HydrophobicContact CD2-CD1 3.75Å; F217-L378 HydrophobicContact CD2-CD2 3.85Å; F217-L378 HydrophobicContact CD2-CG 3.82Å; F217-L378 HydrophobicContact CE2-CD1 3.41Å; F217-L378 VanDerWaalsContact CE2-CD1 3.41Å; F217-L378 HydrophobicContact CE2-CD2 4.36Å; F217-L378 HydrophobicContact CE2-CG 4.01Å; F217-L378 HydrophobicContact CG-CD2 4.06Å; F217-L378 HydrophobicContact CZ-CD1 3.92Å; L222-L378 HydrophobicContact CG-CD2 4.23Å; A225-L378 HydrophobicContact CB-CB 4.46Å; A225-L378 HydrophobicContact CB-CD2 3.78Å; R226-L378 WeakPolarHBondContact CG-O 3.26Å; D376-L378 VanDerWaalsContact C-N 3.27Å; D376-L378 PolarHBondContact O-N 3.08Å; D376-L378 PolarHBondContact OD1-N 2.89Å; L378-F498 HydrophobicContact CD2-CE2 4Å; L378-F501 HydrophobicContact CD1-CB 4.1Å; L378-F501 HydrophobicContact CD1-CD1 3.71Å; L378-F501 HydrophobicContact CD1-CE1 4.42Å; L378-F501 HydrophobicContact CD1-CG 4Å |
| 379 | S | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.9 | -174.9 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | D376 V381 | D376-S379 VanDerWaalsContact CB-OG 3.31Å; D376-S379 WeakPolarHBondContact CB-OG 3.15Å; D376-S379 PolarHBondContact O-N 2.9Å; D376-S379 WeakPolarHBondContact OD2-CB 3.28Å; D376-S379 PolarHBondContact OD2-OG 2.99Å; S379-V381 PolarHBondContact O-N 2.83Å; S379-V381 WeakPolarHBondContact OG-CG2 3.35Å |
| 380 | G | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 12.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G278 D376 | G278-G380 WeakPolarHBondContact CA-O 3.19Å; D376-G380 PolarHBondContact O-N 3.34Å |
| 381 | V | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 178.3 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | A274 Y275 V286 L310 L314 D376 S379 | A274-V381 VanDerWaalsContact O-CG1 3.26Å; A274-V381 WeakPolarHBondContact O-CG1 3.04Å; Y275-V381 HydrophobicContact CD1-CG1 4.17Å; Y275-V381 HydrophobicContact CD1-CG2 4Å; Y275-V381 HydrophobicContact CE1-CG2 3.72Å; V286-V381 WeakPolarHBondContact CG2-O 3.37Å; L310-V381 HydrophobicContact CD1-CG1 4.22Å; L314-V381 HydrophobicContact CD2-CB 4.3Å; L314-V381 HydrophobicContact CD2-CG2 3.65Å; D376-V381 WeakPolarHBondContact CA-O 3.32Å; D376-V381 WeakPolarHBondContact CB-O 3.5Å; D376-V381 PolarHBondContact N-O 3.15Å; S379-V381 PolarHBondContact O-N 2.83Å; S379-V381 WeakPolarHBondContact OG-CG2 3.35Å |
| 382 | C | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.9 | 176.4 | -63 | 0 | 0 | 0 | 0 | 111.6 | C307 F311 V373 D374 | C307-C382 WeakPolarHBondContact CA-SG 3.28Å; C307-C382 HydrophobicContact CB-CB 4.12Å; C307-C382 WeakPolarHBondContact CB-SG 2.86Å; C307-C382 WeakPolarHBondContact O-CB 3.05Å; C307-C382 WeakPolarHBondContact SG-CB 3.34Å; C307-C382 CovalentContact SG-SG 2.01Å; C307-C382 PolarHBondContact SG-SG 3.01Å; F311-C382 WeakPolarHBondContact CA-O 3.43Å; F311-C382 HydrophobicContact CB-CB 4.01Å; V373-C382 HydrophobicContact CG1-CB 4.05Å; D374-C382 CarbonylContact O-C 3.38Å; D374-C382 VanDerWaalsContact O-CA 3.24Å; D374-C382 WeakPolarHBondContact O-CA 3.36Å; D374-C382 WeakPolarHBondContact O-CB 3.36Å |
| 383 | F | 97.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 10% | 0.101 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 170.8 | -176.8 | -153.1 | -112.5 | 0 | 0 | 0 | 111.7 | L314 Y315 D374 I386 V396 | L314-F383 HydrophobicContact CD2-CD2 3.84Å; L314-F383 HydrophobicContact CD2-CE2 4.36Å; L314-F383 HydrophobicContact CG-CD2 4.11Å; L314-F383 HydrophobicContact CG-CE2 4.21Å; Y315-F383 AromaticContact CD2-CE2 3.86Å; Y315-F383 HydrophobicContact CD2-CE2 3.86Å; Y315-F383 AromaticContact CD2-CZ 3.94Å; Y315-F383 HydrophobicContact CD2-CZ 3.94Å; D374-F383 PolarHBondContact N-O 2.94Å; D374-F383 PolarHBondContact O-N 3.02Å; F383-I386 HydrophobicContact CB-CD1 4.2Å; F383-V396 HydrophobicContact CE1-CG1 4.35Å; F383-V396 HydrophobicContact CE1-CG2 3.87Å; F383-V396 HydrophobicContact CZ-CG2 4.4Å |
| 384 | V | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -96.8 | 143 | 178.1 | 57 | 0 | 0 | 0 | 0 | 110.6 | F311 Y315 I367 Q372 A391 F395 V396 | F311-V384 HydrophobicContact CE2-CB 4Å; F311-V384 HydrophobicContact CE2-CG1 4.23Å; Y315-V384 HydrophobicContact CD2-CG1 3.65Å; Y315-V384 HydrophobicContact CE2-CG1 3.46Å; Y315-V384 VanDerWaalsContact CE2-CG1 3.46Å; I367-V384 HydrophobicContact CD1-CB 4.43Å; I367-V384 HydrophobicContact CD1-CG1 4.16Å; I367-V384 HydrophobicContact CD1-CG2 4.38Å; I367-V384 HydrophobicContact CG1-CG2 4.47Å; I367-V384 HydrophobicContact CG2-CB 4.2Å; I367-V384 HydrophobicContact CG2-CG2 4.05Å; Q372-V384 HydrophobicContact CB-CG2 4.29Å; Q372-V384 WeakPolarHBondContact O-CB 3.17Å; Q372-V384 VanDerWaalsContact O-CG2 3.29Å; Q372-V384 WeakPolarHBondContact O-CG2 3.49Å; V384-A391 HydrophobicContact CG2-CB 3.88Å; V384-F395 HydrophobicContact CG1-CB 4.36Å; V384-F395 HydrophobicContact CG2-CB 4.27Å; V384-F395 HydrophobicContact CG2-CD2 4.28Å; V384-V396 HydrophobicContact CG1-CG2 3.61Å |
| 385 | G | 90.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 83.8 | 23.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S388 R467 | G385-S388 VanDerWaalsContact CA-O 3.29Å; G385-S388 WeakPolarHBondContact CA-O 3.39Å; G385-R467 PolarHBondContact O-NH1 2.74Å |
| 386 | I | 89.2 | Confident | 93.9 | Very high | 46 Ų | 46 | 27 Ų | 27 | 24% | 0.236 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -80.4 | -41.7 | 174.7 | -56.4 | 176.9 | 0 | 0 | 0 | 109.9 | D374 D376 F383 R467 | D374-I386 HydrophobicContact CB-CB 3.68Å; D374-I386 HydrophobicContact CB-CD1 3.93Å; D374-I386 HydrophobicContact CB-CG1 4.02Å; D374-I386 PolarHBondContact OD2-N 3.46Å; D376-I386 HydrophobicContact CB-CD1 3.55Å; F383-I386 HydrophobicContact CB-CD1 4.2Å; I386-R467 PolarHBondContact O-NH1 3.22Å |
| 387 | N | 86.6 | Confident | 94 | Very high | 47 Ų | 47 | 26.3 Ų | 26.3 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -100.9 | -15.3 | 177.9 | -64.3 | -45.2 | 0 | 0 | 0 | 113 | Q300 D374 | Q300-N387 PolarHBondContact NE2-ND2 2.95Å; D374-N387 VanDerWaalsContact CG-ND2 3.28Å; D374-N387 PolarHBondContact OD1-ND2 2.86Å; D374-N387 PolarHBondContact OD2-N 3.25Å |
| 388 | S | 90.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | trans | -121.5 | 113.6 | -176.7 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | Q372 G385 D390 A391 L392 | Q372-S388 VanDerWaalsContact OE1-CB 3.28Å; Q372-S388 PolarHBondContact OE1-OG 2.74Å; G385-S388 VanDerWaalsContact CA-O 3.29Å; G385-S388 WeakPolarHBondContact CA-O 3.39Å; S388-D390 VanDerWaalsContact C-N 3.31Å; S388-D390 PolarHBondContact O-N 3.4Å; S388-A391 PolarHBondContact O-N 3.43Å; S388-A391 PolarHBondContact OG-N 3.2Å; S388-L392 PolarHBondContact O-N 3.09Å; S388-L392 VanDerWaalsContact O-N 3.07Å | ||
| 389 | V | 91.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | L392 R393 Q464 R467 | V389-L392 WeakPolarHBondContact O-CB 3.28Å; V389-L392 PolarHBondContact O-N 2.91Å; V389-R393 HydrophobicContact CG1-CG 4.39Å; V389-R393 WeakPolarHBondContact O-CB 3.37Å; V389-R393 WeakPolarHBondContact O-CG 3.3Å; V389-R393 PolarHBondContact O-N 3.37Å; V389-Q464 HydrophobicContact CG1-CG 3.99Å; V389-R467 HydrophobicContact CG2-CG 4.47Å |
| 390 | D | 92.4 | Very high | 94.6 | Very high | 119 Ų | 119 | 29.4 Ų | 29.4 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -67.7 | -40.5 | 178.9 | -65.4 | -33.9 | 0 | 0 | 0 | 111.4 | S388 R393 G394 | S388-D390 VanDerWaalsContact C-N 3.31Å; S388-D390 PolarHBondContact O-N 3.4Å; D390-R393 PolarHBondContact O-N 2.75Å; D390-R393 IonicContact OD1-NH1 2.64Å; D390-G394 PolarHBondContact O-N 3.39Å |
| 391 | A | 94.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q372 V384 S388 F395 | Q372-A391 HydrophobicContact CB-CB 4.19Å; Q372-A391 HydrophobicContact CG-CB 4.3Å; V384-A391 HydrophobicContact CG2-CB 3.88Å; S388-A391 PolarHBondContact O-N 3.43Å; S388-A391 PolarHBondContact OG-N 3.2Å; A391-F395 HydrophobicContact CB-CD2 4.25Å; A391-F395 WeakPolarHBondContact O-CB 2.94Å; A391-F395 PolarHBondContact O-N 3.41Å |
| 392 | L | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -58.8 | -48.1 | 174.5 | -179.1 | 65.9 | 0 | 0 | 0 | 111.6 | S388 V389 V396 L397 Y460 Q464 | S388-L392 PolarHBondContact O-N 3.09Å; S388-L392 VanDerWaalsContact O-N 3.07Å; V389-L392 WeakPolarHBondContact O-CB 3.28Å; V389-L392 PolarHBondContact O-N 2.91Å; L392-V396 HydrophobicContact CD1-CB 4.1Å; L392-V396 HydrophobicContact CD1-CG1 4.45Å; L392-V396 HydrophobicContact CD1-CG2 4.28Å; L392-V396 WeakPolarHBondContact O-CA 3.4Å; L392-V396 WeakPolarHBondContact O-CB 3.38Å; L392-V396 PolarHBondContact O-N 2.89Å; L392-V396 VanDerWaalsContact O-N 3.1Å; L392-L397 HydrophobicContact CG-CD1 4.29Å; L392-L397 PolarHBondContact O-N 2.85Å; L392-Y460 HydrophobicContact CD1-CD1 3.73Å; L392-Y460 HydrophobicContact CD1-CE1 4.06Å; L392-Y460 HydrophobicContact CD1-CG 4.45Å; L392-Q464 HydrophobicContact CD2-CB 4.35Å |
| 393 | R | 95.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 39.5 Ų | 39.5 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -60.9 | -53.2 | 178.8 | -77.4 | 172.2 | 177.9 | 162.1 | 1.8 | 112.1 | V389 D390 A398 | V389-R393 HydrophobicContact CG1-CG 4.39Å; V389-R393 WeakPolarHBondContact O-CB 3.37Å; V389-R393 WeakPolarHBondContact O-CG 3.3Å; V389-R393 PolarHBondContact O-N 3.37Å; D390-R393 PolarHBondContact O-N 2.75Å; D390-R393 IonicContact OD1-NH1 2.64Å; R393-A398 VanDerWaalsContact O-CB 3.32Å; R393-A398 WeakPolarHBondContact O-CB 3.43Å; R393-A398 PolarHBondContact O-N 2.9Å |
| 394 | G | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -73.1 | -43.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D390 P399 | D390-G394 PolarHBondContact O-N 3.39Å; G394-P399 VanDerWaalsContact O-CD 3.28Å; G394-P399 WeakPolarHBondContact O-CD 3.36Å; G394-P399 WeakPolarHBondContact O-CG 3.49Å |
| 395 | F | 97.4 | Very high | 95 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -96.5 | -21.9 | -171.2 | -66.1 | -68.4 | 0 | 0 | 0 | 114.2 | Y315 M319 K363 T366 I367 V370 V384 A391 | Y315-F395 PolarHBondContact OH-O 2.74Å; M319-F395 WeakPolarHBondContact CE-O 3.36Å; K363-F395 WeakPolarHBondContact CE-O 3.31Å; K363-F395 PolarHBondContact NZ-O 3.45Å; T366-F395 HydrophobicContact CG2-CE1 3.83Å; T366-F395 HydrophobicContact CG2-CZ 3.87Å; I367-F395 HydrophobicContact CD1-CB 3.83Å; I367-F395 HydrophobicContact CD1-CD1 3.78Å; I367-F395 HydrophobicContact CD1-CD2 4.49Å; I367-F395 HydrophobicContact CD1-CE1 4.49Å; I367-F395 HydrophobicContact CD1-CG 3.78Å; I367-F395 HydrophobicContact CG1-CB 4.19Å; I367-F395 HydrophobicContact CG1-CD1 3.49Å; I367-F395 VanDerWaalsContact CG1-CD1 3.49Å; I367-F395 HydrophobicContact CG1-CD2 3.92Å; I367-F395 HydrophobicContact CG1-CE1 3.75Å; I367-F395 HydrophobicContact CG1-CE2 4.16Å; I367-F395 HydrophobicContact CG1-CG 3.59Å; I367-F395 HydrophobicContact CG1-CZ 4.08Å; V370-F395 HydrophobicContact CG2-CE2 4.48Å; V384-F395 HydrophobicContact CG1-CB 4.36Å; V384-F395 HydrophobicContact CG2-CB 4.27Å; V384-F395 HydrophobicContact CG2-CD2 4.28Å; A391-F395 HydrophobicContact CB-CD2 4.25Å; A391-F395 WeakPolarHBondContact O-CB 2.94Å; A391-F395 PolarHBondContact O-N 3.41Å |
| 396 | V | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -115.1 | -66.1 | -176.4 | -172 | 0 | 0 | 0 | 0 | 111.3 | Y315 M319 F383 V384 L392 P399 L400 Y460 | Y315-V396 HydrophobicContact CE2-CG2 4.32Å; M319-V396 HydrophobicContact CE-CG1 4.43Å; F383-V396 HydrophobicContact CE1-CG1 4.35Å; F383-V396 HydrophobicContact CE1-CG2 3.87Å; F383-V396 HydrophobicContact CZ-CG2 4.4Å; V384-V396 HydrophobicContact CG1-CG2 3.61Å; L392-V396 HydrophobicContact CD1-CB 4.1Å; L392-V396 HydrophobicContact CD1-CG1 4.45Å; L392-V396 HydrophobicContact CD1-CG2 4.28Å; L392-V396 WeakPolarHBondContact O-CA 3.4Å; L392-V396 WeakPolarHBondContact O-CB 3.38Å; L392-V396 PolarHBondContact O-N 2.89Å; L392-V396 VanDerWaalsContact O-N 3.1Å; V396-P399 WeakPolarHBondContact O-CD 3.41Å; V396-L400 HydrophobicContact CG1-CD1 3.78Å; V396-L400 WeakPolarHBondContact O-CB 3.42Å; V396-L400 VanDerWaalsContact O-CG 3.22Å; V396-L400 WeakPolarHBondContact O-CG 3.34Å; V396-L400 PolarHBondContact O-N 3.12Å; V396-Y460 HydrophobicContact CG1-CD2 4.06Å; V396-Y460 HydrophobicContact CG1-CE1 4.29Å; V396-Y460 HydrophobicContact CG1-CE2 3.66Å |
| 397 | L | 97.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -63.5 | -54 | -171.1 | -88.2 | 169.8 | 0 | 0 | 0 | 113.2 | L392 L400 F401 I457 Y460 F461 Q464 | L392-L397 HydrophobicContact CG-CD1 4.29Å; L392-L397 PolarHBondContact O-N 2.85Å; L397-L400 PolarHBondContact O-N 3.25Å; L397-F401 WeakPolarHBondContact O-CB 3.07Å; L397-F401 PolarHBondContact O-N 2.01Å; L397-I457 HydrophobicContact CD2-CG2 4.21Å; L397-Y460 VanDerWaalsContact CD2-CB 3.49Å; L397-Y460 HydrophobicContact CD2-CG 4.46Å; L397-F461 HydrophobicContact CD2-CD2 4.05Å; L397-F461 HydrophobicContact CD2-CE2 4.07Å; L397-F461 HydrophobicContact CD2-CG 4.49Å; L397-Q464 HydrophobicContact CD1-CB 4.45Å |
| 398 | A | 97.6 | Very high | 96.1 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R393 F401 V402 | R393-A398 VanDerWaalsContact O-CB 3.32Å; R393-A398 WeakPolarHBondContact O-CB 3.43Å; R393-A398 PolarHBondContact O-N 2.9Å; A398-F401 PolarHBondContact O-N 3.45Å; A398-V402 VanDerWaalsContact O-CG2 3.28Å; A398-V402 WeakPolarHBondContact O-CG2 3.09Å; A398-V402 PolarHBondContact O-N 2.73Å |
| 399 | P | 97.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.7 | -27.8 | 38.1 | 0 | 0 | 0 | 113.8 | G394 V396 F401 V402 Y403 | G394-P399 VanDerWaalsContact O-CD 3.28Å; G394-P399 WeakPolarHBondContact O-CD 3.36Å; G394-P399 WeakPolarHBondContact O-CG 3.49Å; V396-P399 WeakPolarHBondContact O-CD 3.41Å; P399-F401 VanDerWaalsContact C-N 3.33Å; P399-F401 PolarHBondContact O-N 3.36Å; P399-V402 PolarHBondContact O-N 2.8Å; P399-Y403 HydrophobicContact CB-CE2 4.09Å; P399-Y403 WeakPolarHBondContact O-CB 3Å; P399-Y403 WeakPolarHBondContact O-CD1 3.42Å; P399-Y403 VanDerWaalsContact O-CD2 3.23Å; P399-Y403 WeakPolarHBondContact O-CD2 3.43Å; P399-Y403 PolarHBondContact O-N 3.47Å |
| 400 | L | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 178.9 | -71.6 | 178.7 | 0 | 0 | 0 | 111.9 | V396 L397 Y403 L404 I457 Y460 | V396-L400 HydrophobicContact CG1-CD1 3.78Å; V396-L400 WeakPolarHBondContact O-CB 3.42Å; V396-L400 VanDerWaalsContact O-CG 3.22Å; V396-L400 WeakPolarHBondContact O-CG 3.34Å; V396-L400 PolarHBondContact O-N 3.12Å; L397-L400 PolarHBondContact O-N 3.25Å; L400-Y403 PolarHBondContact O-N 2.72Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.11Å; L400-L404 PolarHBondContact O-N 2.8Å; L400-I457 HydrophobicContact CB-CD1 4.02Å; L400-I457 HydrophobicContact CB-CG1 3.99Å; L400-I457 HydrophobicContact CD1-CG1 4.49Å; L400-Y460 HydrophobicContact CD1-CD2 4.24Å; L400-Y460 HydrophobicContact CD1-CE2 4.01Å |
| 401 | F | 97.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.9 | -176.6 | -94.6 | 0 | 0 | 0 | 111.8 | L397 A398 P399 Y403 L404 F405 | L397-F401 WeakPolarHBondContact O-CB 3.07Å; L397-F401 PolarHBondContact O-N 2.01Å; A398-F401 PolarHBondContact O-N 3.45Å; P399-F401 VanDerWaalsContact C-N 3.33Å; P399-F401 PolarHBondContact O-N 3.36Å; F401-Y403 PolarHBondContact O-N 3.14Å; F401-L404 PolarHBondContact O-N 3.39Å; F401-F405 VanDerWaalsContact O-CB 3.29Å; F401-F405 WeakPolarHBondContact O-CB 3.45Å; F401-F405 PolarHBondContact O-N 2.91Å |
| 402 | V | 98.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111 | A398 P399 F405 I406 | A398-V402 VanDerWaalsContact O-CG2 3.28Å; A398-V402 WeakPolarHBondContact O-CG2 3.09Å; A398-V402 PolarHBondContact O-N 2.73Å; P399-V402 PolarHBondContact O-N 2.8Å; V402-F405 PolarHBondContact O-N 3.36Å; V402-I406 HydrophobicContact CG1-CD1 3.65Å; V402-I406 HydrophobicContact CG1-CG1 4.42Å; V402-I406 WeakPolarHBondContact O-CB 3.13Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.45Å; V402-I406 PolarHBondContact O-N 3.39Å |
| 403 | Y | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 178 | -59.3 | -23 | 0 | 0 | 0 | 111.3 | M319 I323 W325 V326 V359 P399 L400 F401 F405 I406 G407 | M319-Y403 HydrophobicContact SD-CE2 4.3Å; I323-Y403 HydrophobicContact CD1-CE2 4.46Å; I323-Y403 HydrophobicContact CG1-CD1 4.46Å; I323-Y403 HydrophobicContact CG1-CD2 4.4Å; I323-Y403 HydrophobicContact CG1-CE1 4.01Å; I323-Y403 HydrophobicContact CG1-CE2 3.91Å; W325-Y403 WeakPolarHBondContact CZ3-O 3.48Å; V326-Y403 VanDerWaalsContact CG2-O 3.29Å; V326-Y403 WeakPolarHBondContact CG2-O 3.39Å; V359-Y403 WeakPolarHBondContact CG1-OH 3.34Å; P399-Y403 HydrophobicContact CB-CE2 4.09Å; P399-Y403 WeakPolarHBondContact O-CB 3Å; P399-Y403 WeakPolarHBondContact O-CD1 3.42Å; P399-Y403 VanDerWaalsContact O-CD2 3.23Å; P399-Y403 WeakPolarHBondContact O-CD2 3.43Å; P399-Y403 PolarHBondContact O-N 3.47Å; L400-Y403 PolarHBondContact O-N 2.72Å; F401-Y403 PolarHBondContact O-N 3.14Å; Y403-F405 PolarHBondContact O-N 3.3Å; Y403-I406 PolarHBondContact O-N 3.41Å; Y403-G407 PolarHBondContact O-N 3.43Å |
| 404 | L | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.6 | -176.8 | 69 | 0 | 0 | 0 | 111.2 | W325 L400 F401 G407 T408 T450 A453 T454 I457 | W325-L404 HydrophobicContact CH2-CD1 4.08Å; W325-L404 HydrophobicContact CZ3-CD1 4.46Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.11Å; L400-L404 PolarHBondContact O-N 2.8Å; F401-L404 PolarHBondContact O-N 3.39Å; L404-G407 PolarHBondContact O-N 2.83Å; L404-T408 HydrophobicContact CD1-CG2 3.95Å; L404-T408 HydrophobicContact CG-CG2 4.24Å; L404-T408 VanDerWaalsContact O-CB 3.3Å; L404-T408 WeakPolarHBondContact O-CB 3.12Å; L404-T408 VanDerWaalsContact O-CG2 3.24Å; L404-T408 WeakPolarHBondContact O-CG2 3.49Å; L404-T408 PolarHBondContact O-N 3.32Å; L404-T408 PolarHBondContact O-OG1 3.21Å; L404-T450 HydrophobicContact CD1-CG2 4.39Å; L404-A453 HydrophobicContact CD1-CB 4.22Å; L404-T454 HydrophobicContact CD1-CG2 4.2Å; L404-T454 HydrophobicContact CD2-CG2 3.56Å; L404-T454 HydrophobicContact CG-CG2 4.5Å; L404-I457 HydrophobicContact CB-CD1 4.12Å; L404-I457 HydrophobicContact CD2-CD1 3.72Å |
| 405 | F | 97.9 | Very high | 95.6 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 55% | 0.548 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 178.4 | 178.6 | -99.9 | 0 | 0 | 0 | 112.4 | F401 V402 Y403 T408 S409 | F401-F405 VanDerWaalsContact O-CB 3.29Å; F401-F405 WeakPolarHBondContact O-CB 3.45Å; F401-F405 PolarHBondContact O-N 2.91Å; V402-F405 PolarHBondContact O-N 3.36Å; Y403-F405 PolarHBondContact O-N 3.3Å; F405-T408 PolarHBondContact O-OG1 3.41Å; F405-T408 VanDerWaalsContact O-OG1 3.05Å; F405-S409 WeakPolarHBondContact O-CB 3.1Å; F405-S409 PolarHBondContact O-N 2.98Å; F405-S409 PolarHBondContact O-OG 3.41Å |
| 406 | I | 97.9 | Very high | 95.2 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 179 | -66.9 | 170 | 0 | 0 | 0 | 110.6 | V326 V402 Y403 S409 F410 | V326-I406 HydrophobicContact CG1-CB 4.4Å; V326-I406 HydrophobicContact CG1-CG2 3.71Å; V402-I406 HydrophobicContact CG1-CD1 3.65Å; V402-I406 HydrophobicContact CG1-CG1 4.42Å; V402-I406 WeakPolarHBondContact O-CB 3.13Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.45Å; V402-I406 PolarHBondContact O-N 3.39Å; Y403-I406 PolarHBondContact O-N 3.41Å; I406-S409 WeakPolarHBondContact O-CB 3.33Å; I406-S409 PolarHBondContact O-N 2.92Å; I406-F410 HydrophobicContact CG2-CD2 3.93Å; I406-F410 HydrophobicContact CG2-CE2 3.47Å; I406-F410 VanDerWaalsContact CG2-CE2 3.47Å; I406-F410 HydrophobicContact CG2-CZ 4.36Å; I406-F410 VanDerWaalsContact O-CD2 3.31Å; I406-F410 WeakPolarHBondContact O-CD2 3.49Å; I406-F410 PolarHBondContact O-N 3.35Å; I406-F410 VanDerWaalsContact O-N 3.13Å |
| 407 | G | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y403 L404 S409 F410 L411 | Y403-G407 PolarHBondContact O-N 3.43Å; L404-G407 PolarHBondContact O-N 2.83Å; G407-S409 VanDerWaalsContact C-N 3.3Å; G407-S409 PolarHBondContact O-N 3.16Å; G407-F410 PolarHBondContact O-N 3.11Å; G407-L411 WeakPolarHBondContact O-CG 3.44Å; G407-L411 PolarHBondContact O-N 3.49Å |
| 408 | T | 95.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 31% | 0.307 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | W325 L404 F405 F410 L411 L412 T450 | W325-T408 HydrophobicContact CH2-CG2 4.21Å; L404-T408 HydrophobicContact CD1-CG2 3.95Å; L404-T408 HydrophobicContact CG-CG2 4.24Å; L404-T408 VanDerWaalsContact O-CB 3.3Å; L404-T408 WeakPolarHBondContact O-CB 3.12Å; L404-T408 VanDerWaalsContact O-CG2 3.24Å; L404-T408 WeakPolarHBondContact O-CG2 3.49Å; L404-T408 PolarHBondContact O-N 3.32Å; L404-T408 PolarHBondContact O-OG1 3.21Å; F405-T408 PolarHBondContact O-OG1 3.41Å; F405-T408 VanDerWaalsContact O-OG1 3.05Å; T408-F410 PolarHBondContact O-N 2.03Å; T408-L411 PolarHBondContact O-N 3.31Å; T408-L412 WeakPolarHBondContact O-CB 3.21Å; T408-L412 PolarHBondContact O-N 2.87Å; T408-T450 HydrophobicContact CG2-CG2 3.85Å |
| 409 | S | 96.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.8 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | F405 I406 G407 L412 A413 | F405-S409 WeakPolarHBondContact O-CB 3.1Å; F405-S409 PolarHBondContact O-N 2.98Å; F405-S409 PolarHBondContact O-OG 3.41Å; I406-S409 WeakPolarHBondContact O-CB 3.33Å; I406-S409 PolarHBondContact O-N 2.92Å; G407-S409 VanDerWaalsContact C-N 3.3Å; G407-S409 PolarHBondContact O-N 3.16Å; S409-L412 PolarHBondContact O-N 3.44Å; S409-A413 WeakPolarHBondContact O-CB 3.42Å; S409-A413 PolarHBondContact O-N 3.35Å |
| 410 | F | 95.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.1 | -70.8 | -51.3 | 0 | 0 | 0 | 112.8 | A329 L330 F333 I406 G407 T408 A413 G414 | A329-F410 HydrophobicContact CB-CB 4.09Å; L330-F410 HydrophobicContact CB-CD2 4.05Å; L330-F410 HydrophobicContact CB-CE2 4.13Å; L330-F410 HydrophobicContact CB-CG 4.48Å; L330-F410 HydrophobicContact CD1-CD1 4.18Å; L330-F410 HydrophobicContact CD1-CD2 4.48Å; L330-F410 HydrophobicContact CD1-CE1 3.79Å; L330-F410 HydrophobicContact CD1-CE2 4.09Å; L330-F410 HydrophobicContact CD1-CZ 3.75Å; F333-F410 HydrophobicContact CB-CB 4.31Å; F333-F410 AromaticContact CD1-CD1 4Å; F333-F410 HydrophobicContact CD1-CD1 4Å; F333-F410 HydrophobicContact CD1-CE1 4.47Å; F333-F410 HydrophobicContact CG-CD1 4.38Å; I406-F410 HydrophobicContact CG2-CD2 3.93Å; I406-F410 HydrophobicContact CG2-CE2 3.47Å; I406-F410 VanDerWaalsContact CG2-CE2 3.47Å; I406-F410 HydrophobicContact CG2-CZ 4.36Å; I406-F410 VanDerWaalsContact O-CD2 3.31Å; I406-F410 WeakPolarHBondContact O-CD2 3.49Å; I406-F410 PolarHBondContact O-N 3.35Å; I406-F410 VanDerWaalsContact O-N 3.13Å; G407-F410 PolarHBondContact O-N 3.11Å; T408-F410 PolarHBondContact O-N 2.03Å; F410-A413 PolarHBondContact O-N 3.44Å; F410-G414 PolarHBondContact O-N 2.97Å |
| 411 | L | 92.6 | Very high | 91 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.8 | -68.9 | -179.7 | 0 | 0 | 0 | 112.1 | W325 A329 W332 G407 T408 F415 S446 T450 | W325-L411 HydrophobicContact CZ2-CD1 3.82Å; A329-L411 HydrophobicContact CB-CD2 3.85Å; A329-L411 HydrophobicContact CB-CG 3.9Å; W332-L411 HydrophobicContact CD2-CD2 4.49Å; W332-L411 HydrophobicContact CE3-CD2 3.88Å; W332-L411 HydrophobicContact CZ3-CD2 4.04Å; W332-L411 VanDerWaalsContact CZ3-O 3.26Å; W332-L411 WeakPolarHBondContact CZ3-O 3.24Å; G407-L411 WeakPolarHBondContact O-CG 3.44Å; G407-L411 PolarHBondContact O-N 3.49Å; T408-L411 PolarHBondContact O-N 3.31Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.13Å; L411-F415 PolarHBondContact O-N 3.24Å; L411-S446 VanDerWaalsContact CD2-CB 3.44Å; L411-T450 HydrophobicContact CD1-CG2 3.93Å |
| 412 | L | 92.1 | Very high | 89.7 | Confident | 117 Ų | 117 | 63.1 Ų | 63.1 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 176 | -177.3 | 63.9 | 0 | 0 | 0 | 110.9 | T408 S409 G414 F415 V416 | T408-L412 WeakPolarHBondContact O-CB 3.21Å; T408-L412 PolarHBondContact O-N 2.87Å; S409-L412 PolarHBondContact O-N 3.44Å; L412-G414 PolarHBondContact O-N 3.31Å; L412-F415 PolarHBondContact O-N 3Å; L412-V416 WeakPolarHBondContact O-CG2 3.34Å; L412-V416 PolarHBondContact O-N 3.13Å |
| 413 | A | 92.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F333 S409 F410 F415 V416 S417 | F333-A413 HydrophobicContact CD2-CB 3.83Å; F333-A413 HydrophobicContact CE2-CB 3.74Å; F333-A413 HydrophobicContact CZ-CB 4.46Å; S409-A413 WeakPolarHBondContact O-CB 3.42Å; S409-A413 PolarHBondContact O-N 3.35Å; F410-A413 PolarHBondContact O-N 3.44Å; A413-F415 PolarHBondContact O-N 2.87Å; A413-V416 PolarHBondContact O-N 3.49Å; A413-S417 PolarHBondContact O-N 3.21Å; A413-S417 PolarHBondContact O-OG 3.45Å; A413-S417 VanDerWaalsContact O-OG 3.09Å |
| 414 | G | 89.1 | Confident | 87 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.9 | -32.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W332 F410 L412 S417 L418 | W332-G414 VanDerWaalsContact CZ3-C 3.42Å; F410-G414 PolarHBondContact O-N 2.97Å; L412-G414 PolarHBondContact O-N 3.31Å; G414-S417 PolarHBondContact O-N 3.24Å; G414-L418 WeakPolarHBondContact O-CG 3.26Å; G414-L418 PolarHBondContact O-N 3.36Å |
| 415 | F | 87.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 50% | 0.504 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -50.5 | 174.3 | -168.3 | -105.9 | 0 | 0 | 0 | 110.2 | W332 L411 L412 A413 S417 L418 F419 | W332-F415 HydrophobicContact CH2-CB 4.23Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.13Å; L411-F415 PolarHBondContact O-N 3.24Å; L412-F415 PolarHBondContact O-N 3Å; A413-F415 PolarHBondContact O-N 2.87Å; F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 2.78Å; F415-L418 PolarHBondContact O-N 3.35Å; F415-L418 VanDerWaalsContact O-N 3.07Å; F415-F419 AromaticContact CD1-CD2 3.81Å; F415-F419 HydrophobicContact CD1-CD2 3.81Å; F415-F419 AromaticContact CD1-CE2 3.48Å; F415-F419 HydrophobicContact CD1-CE2 3.48Å; F415-F419 VanDerWaalsContact CD1-CE2 3.48Å; F415-F419 AromaticContact CD2-CE2 3.9Å; F415-F419 HydrophobicContact CD2-CE2 3.9Å; F415-F419 AromaticContact CE1-CD2 3.83Å; F415-F419 HydrophobicContact CE1-CD2 3.83Å; F415-F419 AromaticContact CE1-CE2 3.1Å; F415-F419 HydrophobicContact CE1-CE2 3.1Å; F415-F419 AromaticContact CE1-CZ 3.84Å; F415-F419 HydrophobicContact CE1-CZ 3.84Å; F415-F419 AromaticContact CE2-CE2 3.56Å; F415-F419 HydrophobicContact CE2-CE2 3.56Å; F415-F419 HydrophobicContact CE2-CZ 4.17Å; F415-F419 HydrophobicContact CG-CD2 4.25Å; F415-F419 AromaticContact CG-CE2 3.89Å; F415-F419 HydrophobicContact CG-CE2 3.89Å; F415-F419 HydrophobicContact CZ-CD2 4.27Å; F415-F419 AromaticContact CZ-CE2 3.17Å; F415-F419 HydrophobicContact CZ-CE2 3.17Å; F415-F419 AromaticContact CZ-CZ 3.62Å; F415-F419 HydrophobicContact CZ-CZ 3.62Å; F415-F419 VanDerWaalsContact O-CD2 3.25Å; F415-F419 WeakPolarHBondContact O-CD2 3.43Å; F415-F419 PolarHBondContact O-N 3Å; F415-F419 VanDerWaalsContact O-N 3.08Å |
| 416 | V | 88.3 | Confident | 83.3 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.9 | -44.3 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L412 A413 L418 F419 R420 | L412-V416 WeakPolarHBondContact O-CG2 3.34Å; L412-V416 PolarHBondContact O-N 3.13Å; A413-V416 PolarHBondContact O-N 3.49Å; V416-L418 PolarHBondContact O-N 3.3Å; V416-F419 PolarHBondContact O-N 3.5Å; V416-R420 PolarHBondContact O-N 3.29Å; V416-R420 VanDerWaalsContact O-N 3.11Å |
| 417 | S | 83.8 | Confident | 81.4 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | G337 A413 G414 F415 R420 I421 | G337-S417 WeakPolarHBondContact CA-OG 3.36Å; A413-S417 PolarHBondContact O-N 3.21Å; A413-S417 PolarHBondContact O-OG 3.45Å; A413-S417 VanDerWaalsContact O-OG 3.09Å; G414-S417 PolarHBondContact O-N 3.24Å; F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 2.78Å; S417-R420 PolarHBondContact O-N 3.03Å; S417-I421 WeakPolarHBondContact O-CG1 3.38Å; S417-I421 PolarHBondContact O-N 3.45Å |
| 418 | L | 80.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 86.7 Ų | 86.7 | 10% | 0.099 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.6 | -75.2 | 175.9 | 0 | 0 | 0 | 112.3 | W332 A336 G414 F415 V416 I421 R422 M439 | W332-L418 HydrophobicContact CH2-CD1 4.02Å; W332-L418 HydrophobicContact CZ2-CD1 3.35Å; W332-L418 HydrophobicContact CZ2-CG 4.44Å; A336-L418 HydrophobicContact CB-CD1 4.35Å; A336-L418 HydrophobicContact CB-CD2 3.69Å; A336-L418 HydrophobicContact CB-CG 3.84Å; G414-L418 WeakPolarHBondContact O-CG 3.26Å; G414-L418 PolarHBondContact O-N 3.36Å; F415-L418 PolarHBondContact O-N 3.35Å; F415-L418 VanDerWaalsContact O-N 3.07Å; V416-L418 PolarHBondContact O-N 3.3Å; L418-I421 PolarHBondContact O-N 3.12Å; L418-R422 WeakPolarHBondContact O-CB 3.27Å; L418-R422 PolarHBondContact O-N 3.45Å; L418-M439 HydrophobicContact CD2-CB 4.27Å; L418-M439 HydrophobicContact CD2-SD 3.96Å |
| 419 | F | 80.6 | Confident | 78 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.4 | -81.2 | -81.8 | 0 | 0 | 0 | 111.6 | F415 V416 I421 R422 T423 | F415-F419 AromaticContact CD1-CD2 3.81Å; F415-F419 HydrophobicContact CD1-CD2 3.81Å; F415-F419 AromaticContact CD1-CE2 3.48Å; F415-F419 HydrophobicContact CD1-CE2 3.48Å; F415-F419 VanDerWaalsContact CD1-CE2 3.48Å; F415-F419 AromaticContact CD2-CE2 3.9Å; F415-F419 HydrophobicContact CD2-CE2 3.9Å; F415-F419 AromaticContact CE1-CD2 3.83Å; F415-F419 HydrophobicContact CE1-CD2 3.83Å; F415-F419 AromaticContact CE1-CE2 3.1Å; F415-F419 HydrophobicContact CE1-CE2 3.1Å; F415-F419 AromaticContact CE1-CZ 3.84Å; F415-F419 HydrophobicContact CE1-CZ 3.84Å; F415-F419 AromaticContact CE2-CE2 3.56Å; F415-F419 HydrophobicContact CE2-CE2 3.56Å; F415-F419 HydrophobicContact CE2-CZ 4.17Å; F415-F419 HydrophobicContact CG-CD2 4.25Å; F415-F419 AromaticContact CG-CE2 3.89Å; F415-F419 HydrophobicContact CG-CE2 3.89Å; F415-F419 HydrophobicContact CZ-CD2 4.27Å; F415-F419 AromaticContact CZ-CE2 3.17Å; F415-F419 HydrophobicContact CZ-CE2 3.17Å; F415-F419 AromaticContact CZ-CZ 3.62Å; F415-F419 HydrophobicContact CZ-CZ 3.62Å; F415-F419 VanDerWaalsContact O-CD2 3.25Å; F415-F419 WeakPolarHBondContact O-CD2 3.43Å; F415-F419 PolarHBondContact O-N 3Å; F415-F419 VanDerWaalsContact O-N 3.08Å; V416-F419 PolarHBondContact O-N 3.5Å; F419-I421 VanDerWaalsContact C-N 3.29Å; F419-I421 PolarHBondContact O-N 3.5Å; F419-R422 PolarHBondContact O-N 3.02Å; F419-T423 PolarHBondContact O-N 3.31Å; F419-T423 PolarHBondContact O-OG1 3.43Å |
| 420 | R | 80.6 | Confident | 76.2 | Confident | 189 Ų | 189 | 90.6 Ų | 90.6 | 71% | 0.713 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.6 | -42.5 | 177.2 | -167.8 | -177.7 | -176.3 | -165.4 | 2.5 | 111.5 | V416 S417 I424 | V416-R420 PolarHBondContact O-N 3.29Å; V416-R420 VanDerWaalsContact O-N 3.11Å; S417-R420 PolarHBondContact O-N 3.03Å; R420-I424 HydrophobicContact CG-CD1 4.2Å; R420-I424 WeakPolarHBondContact O-CD1 3.37Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.45Å; R420-I424 PolarHBondContact O-N 3.18Å |
| 421 | I | 73.2 | Confident | 74.4 | Confident | 39 Ų | 39 | 97 Ų | 97 | 20% | 0.2 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68 | -46.4 | 177.5 | -68.1 | 167.7 | 0 | 0 | 0 | 111 | A336 S417 L418 F419 T423 I424 M425 | A336-I421 WeakPolarHBondContact O-CD1 3.34Å; S417-I421 WeakPolarHBondContact O-CG1 3.38Å; S417-I421 PolarHBondContact O-N 3.45Å; L418-I421 PolarHBondContact O-N 3.12Å; F419-I421 VanDerWaalsContact C-N 3.29Å; F419-I421 PolarHBondContact O-N 3.5Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 2.89Å; I421-I424 PolarHBondContact O-N 3.12Å; I421-I424 VanDerWaalsContact O-N 3.08Å; I421-M425 HydrophobicContact CG2-CB 4.37Å; I421-M425 HydrophobicContact CG2-CE 4.31Å; I421-M425 HydrophobicContact CG2-SD 3.9Å; I421-M425 WeakPolarHBondContact O-CB 3.42Å; I421-M425 PolarHBondContact O-N 3.39Å |
| 422 | R | 71.8 | Confident | 73.1 | Confident | 110 Ų | 110 | 98.9 Ų | 98.9 | 42% | 0.415 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 177.3 | -86.6 | -178.8 | 160.9 | 173 | -5.6 | 113.1 | L418 F419 I424 E436 | L418-R422 WeakPolarHBondContact O-CB 3.27Å; L418-R422 PolarHBondContact O-N 3.45Å; F419-R422 PolarHBondContact O-N 3.02Å; R422-I424 VanDerWaalsContact C-N 3.34Å; R422-E436 IonicContact CZ-OE1 3.13Å; R422-E436 IonicContact NE-OE1 2.67Å; R422-E436 PolarHBondContact NE-OE1 3.29Å; R422-E436 IonicContact NH2-OE1 3.36Å; R422-E436 PolarHBondContact NH2-OE1 3.28Å |
| 423 | T | 68.5 | Low | 72.1 | Confident | 113 Ų | 113 | 97.9 Ų | 97.9 | 69% | 0.693 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.1 | -35 | 177 | -56.4 | 0 | 0 | 0 | 0 | 112 | F419 I421 | F419-T423 PolarHBondContact O-N 3.31Å; F419-T423 PolarHBondContact O-OG1 3.43Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 2.89Å |
| 424 | I | 69.1 | Low | 71.2 | Confident | 123 Ų | 123 | 104.8 Ų | 104.8 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -84.5 | -34.3 | -178.3 | -63.4 | 166.4 | 0 | 0 | 0 | 112 | R420 I421 R422 K426 | R420-I424 HydrophobicContact CG-CD1 4.2Å; R420-I424 WeakPolarHBondContact O-CD1 3.37Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.45Å; R420-I424 PolarHBondContact O-N 3.18Å; I421-I424 PolarHBondContact O-N 3.12Å; I421-I424 VanDerWaalsContact O-N 3.08Å; R422-I424 VanDerWaalsContact C-N 3.34Å; I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.08Å |
| 425 | M | 58.9 | Low | 70.3 | Confident | 56 Ų | 56 | 109.7 Ų | 109.7 | 28% | 0.276 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -87.8 | 7.9 | -167.3 | -152.3 | 173.1 | 67.7 | 0 | 0 | 114.1 | I421 H427 T432 | I421-M425 HydrophobicContact CG2-CB 4.37Å; I421-M425 HydrophobicContact CG2-CE 4.31Å; I421-M425 HydrophobicContact CG2-SD 3.9Å; I421-M425 WeakPolarHBondContact O-CB 3.42Å; I421-M425 PolarHBondContact O-N 3.39Å; M425-H427 PolarHBondContact O-N 3.32Å; M425-T432 HydrophobicContact CE-CG2 4.2Å; M425-T432 WeakPolarHBondContact CE-OG1 3.31Å; M425-T432 HydrophobicContact SD-CG2 3.74Å |
| 426 | K | 59.1 | Low | 69.6 | Low | 193 Ų | 193 | 106.5 Ų | 106.5 | 84% | 0.839 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -65.7 | -3.4 | 178.7 | -130.3 | 177.6 | -176.6 | -178 | 0 | 114 | I424 | I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.08Å |
| 427 | H | 57.8 | Low | 69.2 | Low | 179 Ų | 179 | 108.6 Ų | 108.6 | 83% | 0.829 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -107.7 | -10 | -175.3 | -95 | -79.3 | 0 | 0 | 0 | 116.8 | M425 | M425-H427 PolarHBondContact O-N 3.32Š|
| 428 | D | 55.4 | Low | 68.7 | Low | 144 Ų | 144 | 109.5 Ų | 109.5 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -131.5 | 54.8 | -173.1 | -89.6 | -30.9 | 0 | 0 | 0 | 114.2 | T430 | D428-T430 PolarHBondContact O-N 3.24Š|
| 429 | G | 65.2 | Low | 68.6 | Low | 63 Ų | 63 | 109.7 Ų | 109.7 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | trans | -70 | 123.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 430 | T | 57.3 | Low | 68.6 | Low | 120 Ų | 120 | 107 Ų | 107 | 74% | 0.736 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 165 | -32.9 | 134.8 | 39 | 0 | 0 | 0 | 0 | 112.8 | D428 | D428-T430 PolarHBondContact O-N 3.24Š|
| 431 | K | 58.3 | Low | 68.7 | Low | 192 Ų | 192 | 102.7 Ų | 102.7 | 84% | 0.835 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -83.5 | -27.3 | -179.3 | -76.2 | -174.7 | 179.9 | 175.8 | 0 | 114.5 | ||
| 432 | T | 64.9 | Low | 69.2 | Low | 51 Ų | 51 | 100.9 Ų | 100.9 | 31% | 0.313 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -82.3 | -17.8 | -174.5 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | M425 K434 L435 E436 | M425-T432 HydrophobicContact CE-CG2 4.2Å; M425-T432 WeakPolarHBondContact CE-OG1 3.31Å; M425-T432 HydrophobicContact SD-CG2 3.74Å; T432-K434 VanDerWaalsContact C-N 3.33Å; T432-K434 PolarHBondContact O-N 2.92Å; T432-L435 PolarHBondContact O-N 2.92Å; T432-E436 WeakPolarHBondContact O-CB 3.44Å; T432-E436 PolarHBondContact O-N 3.02Å |
| 433 | E | 71.5 | Confident | 69.7 | Low | 97 Ų | 97 | 96 Ų | 96 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | -175.7 | -164.8 | -169.3 | 157.8 | 0 | 0 | 113.1 | K437 | E433-K437 WeakPolarHBondContact O-CB 3.07Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.43Å; E433-K437 PolarHBondContact O-N 3.13Å; E433-K437 WeakPolarHBondContact OE1-CE 3.09Å; E433-K437 IonicContact OE1-NZ 2.73Å; E433-K437 PolarHBondContact OE1-NZ 3.34Å |
| 434 | K | 73.2 | Confident | 70.5 | Confident | 181 Ų | 181 | 95.4 Ų | 95.4 | 79% | 0.787 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69 | -42.1 | 177.6 | -71.2 | -178.9 | -178.9 | 171.8 | 0 | 112 | T432 L438 | T432-K434 VanDerWaalsContact C-N 3.33Å; T432-K434 PolarHBondContact O-N 2.92Å; K434-L438 PolarHBondContact O-N 3.4Å; K434-L438 VanDerWaalsContact O-N 3.13Å |
| 435 | L | 70.3 | Confident | 71.2 | Confident | 103 Ų | 103 | 90 Ų | 90 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 177.9 | -174.6 | 67.9 | 0 | 0 | 0 | 110.2 | T432 L438 M439 | T432-L435 PolarHBondContact O-N 2.92Å; L435-L438 WeakPolarHBondContact O-CB 3.45Å; L435-L438 PolarHBondContact O-N 3.03Å; L435-M439 HydrophobicContact CG-CE 4.49Å; L435-M439 HydrophobicContact CG-SD 4.24Å; L435-M439 VanDerWaalsContact O-CG 3.28Å; L435-M439 WeakPolarHBondContact O-CG 3.45Å; L435-M439 PolarHBondContact O-N 2.92Å |
| 436 | E | 73 | Confident | 72.3 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 22% | 0.224 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 177 | -169.6 | -172.7 | 145.6 | 0 | 0 | 112.3 | R422 T432 L438 M439 V440 | R422-E436 IonicContact CZ-OE1 3.13Å; R422-E436 IonicContact NE-OE1 2.67Å; R422-E436 PolarHBondContact NE-OE1 3.29Å; R422-E436 IonicContact NH2-OE1 3.36Å; R422-E436 PolarHBondContact NH2-OE1 3.28Å; T432-E436 WeakPolarHBondContact O-CB 3.44Å; T432-E436 PolarHBondContact O-N 3.02Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 PolarHBondContact O-N 3.06Å; E436-M439 PolarHBondContact O-N 2.99Å; E436-V440 WeakPolarHBondContact O-CG2 3.39Å; E436-V440 PolarHBondContact O-N 3.22Å |
| 437 | K | 79.4 | Confident | 73.5 | Confident | 133 Ų | 133 | 82 Ų | 82 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58 | -41 | 174.1 | -77.9 | 176.1 | -175.4 | 170.3 | 0 | 111.6 | E433 R441 | E433-K437 WeakPolarHBondContact O-CB 3.07Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.43Å; E433-K437 PolarHBondContact O-N 3.13Å; E433-K437 WeakPolarHBondContact OE1-CE 3.09Å; E433-K437 IonicContact OE1-NZ 2.73Å; E433-K437 PolarHBondContact OE1-NZ 3.34Å; K437-R441 WeakPolarHBondContact O-CB 3.41Å; K437-R441 PolarHBondContact O-N 3.32Å; K437-R441 VanDerWaalsContact O-N 3.09Å |
| 438 | L | 73.9 | Confident | 74.9 | Confident | 48 Ų | 48 | 78 Ų | 78 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 176.8 | 176.7 | 61 | 0 | 0 | 0 | 111.6 | E258 K434 L435 E436 R441 I442 | E258-L438 HydrophobicContact CG-CD1 4.2Å; E258-L438 WeakPolarHBondContact OE1-CD1 3.39Å; E258-L438 WeakPolarHBondContact OE1-CD2 3.43Å; K434-L438 PolarHBondContact O-N 3.4Å; K434-L438 VanDerWaalsContact O-N 3.13Å; L435-L438 WeakPolarHBondContact O-CB 3.45Å; L435-L438 PolarHBondContact O-N 3.03Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 PolarHBondContact O-N 3.06Å; L438-R441 WeakPolarHBondContact O-CB 3.32Å; L438-R441 PolarHBondContact O-N 2.83Å; L438-I442 HydrophobicContact CD1-CD1 4Å; L438-I442 HydrophobicContact CD1-CG1 4.25Å; L438-I442 HydrophobicContact CG-CD1 4Å; L438-I442 WeakPolarHBondContact O-CG1 3.33Å; L438-I442 PolarHBondContact O-N 3.15Å |
| 439 | M | 78 | Confident | 76.6 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.6 | -72.9 | 175.4 | 146.8 | 0 | 0 | 113 | W332 A335 A336 L418 L435 E436 R441 I442 G443 | W332-M439 PolarHBondContact NE1-O 3.27Å; A335-M439 HydrophobicContact CB-CE 3.75Å; A335-M439 WeakPolarHBondContact O-CE 3.42Å; A336-M439 HydrophobicContact CB-CE 3.99Å; A336-M439 HydrophobicContact CB-SD 4.36Å; A336-M439 VanDerWaalsContact N-CE 3.34Å; L418-M439 HydrophobicContact CD2-CB 4.27Å; L418-M439 HydrophobicContact CD2-SD 3.96Å; L435-M439 HydrophobicContact CG-CE 4.49Å; L435-M439 HydrophobicContact CG-SD 4.24Å; L435-M439 VanDerWaalsContact O-CG 3.28Å; L435-M439 WeakPolarHBondContact O-CG 3.45Å; L435-M439 PolarHBondContact O-N 2.92Å; E436-M439 PolarHBondContact O-N 2.99Å; M439-R441 VanDerWaalsContact C-N 3.3Å; M439-R441 PolarHBondContact O-N 2.03Å; M439-I442 PolarHBondContact O-N 3.25Å; M439-G443 PolarHBondContact O-N 2.76Å |
| 440 | V | 80.7 | Confident | 77.9 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | E436 I442 G443 I444 | E436-V440 WeakPolarHBondContact O-CG2 3.39Å; E436-V440 PolarHBondContact O-N 3.22Å; V440-I442 PolarHBondContact O-N 3.11Å; V440-G443 PolarHBondContact O-N 2.93Å; V440-I444 HydrophobicContact CG1-CD1 3.89Å; V440-I444 HydrophobicContact CG1-CG1 4.48Å; V440-I444 WeakPolarHBondContact O-CG1 3.42Å; V440-I444 PolarHBondContact O-N 3.02Å |
| 441 | R | 83.9 | Confident | 79.7 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 177.9 | -154 | -162.1 | 176 | -161 | -2.1 | 110.8 | K437 L438 M439 G443 I444 F445 W518 | K437-R441 WeakPolarHBondContact O-CB 3.41Å; K437-R441 PolarHBondContact O-N 3.32Å; K437-R441 VanDerWaalsContact O-N 3.09Å; L438-R441 WeakPolarHBondContact O-CB 3.32Å; L438-R441 PolarHBondContact O-N 2.83Å; M439-R441 VanDerWaalsContact C-N 3.3Å; M439-R441 PolarHBondContact O-N 2.03Å; R441-G443 VanDerWaalsContact C-N 3.32Å; R441-G443 PolarHBondContact O-N 2.73Å; R441-I444 PolarHBondContact O-N 2.79Å; R441-F445 PolarHBondContact O-N 2.8Å; R441-W518 VanDerWaalsContact C-CZ3 3.49Å; R441-W518 HydrophobicContact CB-CH2 3.56Å; R441-W518 HydrophobicContact CB-CZ3 3.93Å; R441-W518 HydrophobicContact CG-CE3 4.32Å; R441-W518 HydrophobicContact CG-CH2 3.4Å; R441-W518 VanDerWaalsContact CG-CH2 3.4Å; R441-W518 HydrophobicContact CG-CZ2 4.41Å; R441-W518 HydrophobicContact CG-CZ3 3.36Å; R441-W518 PolarHBondContact NH1-O 2.82Å; R441-W518 PolarHBondContact NH2-O 2.8Å; R441-W518 VanDerWaalsContact O-CZ3 3.23Å; R441-W518 WeakPolarHBondContact O-CZ3 3.22Å |
| 442 | I | 82.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | -178.9 | -64.6 | 168.8 | 0 | 0 | 0 | 110.4 | P257 E258 L328 W332 L438 M439 V440 F445 S446 W518 | P257-I442 HydrophobicContact CG-CD1 3.97Å; E258-I442 HydrophobicContact CG-CD1 3.76Å; E258-I442 HydrophobicContact CG-CG1 4.4Å; L328-I442 HydrophobicContact CD1-CG2 4.06Å; W332-I442 HydrophobicContact CB-CG2 4.09Å; W332-I442 VanDerWaalsContact CD1-CG2 3.43Å; W332-I442 HydrophobicContact CG-CG2 3.99Å; L438-I442 HydrophobicContact CD1-CD1 4Å; L438-I442 HydrophobicContact CD1-CG1 4.25Å; L438-I442 HydrophobicContact CG-CD1 4Å; L438-I442 WeakPolarHBondContact O-CG1 3.33Å; L438-I442 PolarHBondContact O-N 3.15Å; M439-I442 PolarHBondContact O-N 3.25Å; V440-I442 PolarHBondContact O-N 3.11Å; I442-F445 PolarHBondContact O-N 3.16Å; I442-S446 WeakPolarHBondContact O-CB 3.38Å; I442-S446 PolarHBondContact O-N 3.39Å; I442-S446 PolarHBondContact O-OG 3.26Å; I442-W518 HydrophobicContact CB-CH2 4.23Å; I442-W518 HydrophobicContact CG1-CH2 3.6Å; I442-W518 HydrophobicContact CG1-CZ2 3.67Å |
| 443 | G | 82.2 | Confident | 82.9 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M439 V440 R441 F445 S446 V447 | M439-G443 PolarHBondContact O-N 2.76Å; V440-G443 PolarHBondContact O-N 2.93Å; R441-G443 VanDerWaalsContact C-N 3.32Å; R441-G443 PolarHBondContact O-N 2.73Å; G443-F445 PolarHBondContact O-N 3.22Å; G443-S446 PolarHBondContact O-N 2.93Å; G443-V447 WeakPolarHBondContact O-CG2 3.26Å; G443-V447 PolarHBondContact O-N 3.26Å |
| 444 | I | 85.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.4 | -67.9 | 165.1 | 0 | 0 | 0 | 110.8 | V440 R441 S446 V447 L448 | V440-I444 HydrophobicContact CG1-CD1 3.89Å; V440-I444 HydrophobicContact CG1-CG1 4.48Å; V440-I444 WeakPolarHBondContact O-CG1 3.42Å; V440-I444 PolarHBondContact O-N 3.02Å; R441-I444 PolarHBondContact O-N 2.79Å; I444-S446 VanDerWaalsContact C-N 3.31Å; I444-S446 PolarHBondContact O-N 3.32Å; I444-V447 PolarHBondContact O-N 3.22Å; I444-L448 HydrophobicContact CG2-CD1 4.03Å; I444-L448 HydrophobicContact CG2-CG 4.38Å; I444-L448 WeakPolarHBondContact O-CG 3.45Å; I444-L448 PolarHBondContact O-N 3.46Å |
| 445 | F | 83.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.8 | -179.4 | -98.7 | 0 | 0 | 0 | 112.3 | I261 L328 R441 I442 G443 V447 L448 Y449 W518 | I261-F445 HydrophobicContact CD1-CD1 4.01Å; I261-F445 HydrophobicContact CD1-CE1 4.12Å; I261-F445 HydrophobicContact CG1-CD1 4.27Å; I261-F445 HydrophobicContact CG1-CE1 3.96Å; I261-F445 HydrophobicContact CG2-CE1 4.21Å; I261-F445 HydrophobicContact CG2-CZ 4.26Å; L328-F445 HydrophobicContact CD2-CD1 3.92Å; L328-F445 HydrophobicContact CD2-CE1 4.01Å; R441-F445 PolarHBondContact O-N 2.8Å; I442-F445 PolarHBondContact O-N 3.16Å; G443-F445 PolarHBondContact O-N 3.22Å; F445-V447 PolarHBondContact O-N 3.19Å; F445-L448 WeakPolarHBondContact O-CB 3.4Å; F445-L448 PolarHBondContact O-N 3.48Å; F445-Y449 PolarHBondContact O-N 2.78Å; F445-W518 HydrophobicContact CB-CE3 3.84Å; F445-W518 HydrophobicContact CB-CZ3 3.67Å; F445-W518 HydrophobicContact CD2-CE3 4.09Å; F445-W518 HydrophobicContact CG-CE3 4.01Å; F445-W518 HydrophobicContact CG-CZ3 4.31Å |
| 446 | S | 82.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | W325 L411 I442 G443 I444 Y449 T450 | W325-S446 PolarHBondContact NE1-O 2.03Å; L411-S446 VanDerWaalsContact CD2-CB 3.44Å; I442-S446 WeakPolarHBondContact O-CB 3.38Å; I442-S446 PolarHBondContact O-N 3.39Å; I442-S446 PolarHBondContact O-OG 3.26Å; G443-S446 PolarHBondContact O-N 2.93Å; I444-S446 VanDerWaalsContact C-N 3.31Å; I444-S446 PolarHBondContact O-N 3.32Å; S446-Y449 PolarHBondContact O-N 3.37Å; S446-T450 PolarHBondContact O-N 2.85Å |
| 447 | V | 84.4 | Confident | 87.8 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69 | -40 | 171.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | G443 I444 F445 Y449 T450 | G443-V447 WeakPolarHBondContact O-CG2 3.26Å; G443-V447 PolarHBondContact O-N 3.26Å; I444-V447 PolarHBondContact O-N 3.22Å; F445-V447 PolarHBondContact O-N 3.19Å; V447-Y449 PolarHBondContact O-N 3.12Å; V447-T450 PolarHBondContact O-N 2.98Å; V447-T450 PolarHBondContact O-OG1 3.46Å |
| 448 | L | 88.9 | Confident | 88.7 | Confident | 95 Ų | 95 | 40.2 Ų | 40.2 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -30.2 | 175.9 | -76.1 | 171.6 | 0 | 0 | 0 | 112.8 | I444 F445 P452 | I444-L448 HydrophobicContact CG2-CD1 4.03Å; I444-L448 HydrophobicContact CG2-CG 4.38Å; I444-L448 WeakPolarHBondContact O-CG 3.45Å; I444-L448 PolarHBondContact O-N 3.46Å; F445-L448 WeakPolarHBondContact O-CB 3.4Å; F445-L448 PolarHBondContact O-N 3.48Å; L448-P452 WeakPolarHBondContact O-CD 3.05Å |
| 449 | Y | 89.9 | Confident | 89.8 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71 | -35.1 | 172.6 | -177.6 | -72.4 | 0 | 0 | 0 | 112.9 | L264 Y268 W325 F445 S446 V447 V451 P452 A453 V511 | L264-Y449 HydrophobicContact CD1-CD2 4.08Å; L264-Y449 HydrophobicContact CD1-CE2 3.81Å; Y268-Y449 HydrophobicContact CE2-CE2 4.42Å; W325-Y449 HydrophobicContact CB-CD1 4.14Å; W325-Y449 HydrophobicContact CB-CD2 4.16Å; W325-Y449 HydrophobicContact CB-CE1 3.82Å; W325-Y449 HydrophobicContact CB-CE2 3.81Å; W325-Y449 HydrophobicContact CB-CG 4.36Å; W325-Y449 VanDerWaalsContact CD1-CB 3.5Å; W325-Y449 AromaticContact CD1-CD1 3.23Å; W325-Y449 AromaticContact CD1-CD2 3.58Å; W325-Y449 AromaticContact CD1-CE1 3.83Å; W325-Y449 AromaticContact CD1-CG 3.14Å; W325-Y449 AromaticContact CD2-CD1 3.52Å; W325-Y449 HydrophobicContact CD2-CD1 3.52Å; W325-Y449 AromaticContact CD2-CE1 3.63Å; W325-Y449 HydrophobicContact CD2-CE1 3.63Å; W325-Y449 HydrophobicContact CD2-CG 4.26Å; W325-Y449 AromaticContact CE2-CD1 3.54Å; W325-Y449 HydrophobicContact CE3-CD1 4.35Å; W325-Y449 HydrophobicContact CE3-CE1 4.12Å; W325-Y449 AromaticContact CG-CD1 3.35Å; W325-Y449 HydrophobicContact CG-CD1 3.35Å; W325-Y449 AromaticContact CG-CD2 3.95Å; W325-Y449 HydrophobicContact CG-CD2 3.95Å; W325-Y449 AromaticContact CG-CE1 3.45Å; W325-Y449 HydrophobicContact CG-CE1 3.45Å; W325-Y449 VanDerWaalsContact CG-CE1 3.45Å; W325-Y449 HydrophobicContact CG-CE2 4.01Å; W325-Y449 AromaticContact CG-CG 3.67Å; W325-Y449 HydrophobicContact CG-CG 3.67Å; W325-Y449 AromaticContact CG-CZ 3.83Å; W325-Y449 HydrophobicContact CZ2-CD1 4.38Å; W325-Y449 AromaticContact NE1-CD1 3.32Å; W325-Y449 VanDerWaalsContact NE1-CD1 3.32Å; W325-Y449 AromaticContact NE1-CG 3.46Å; F445-Y449 PolarHBondContact O-N 2.78Å; S446-Y449 PolarHBondContact O-N 3.37Å; V447-Y449 PolarHBondContact O-N 3.12Å; Y449-V451 PolarHBondContact O-N 3.21Å; Y449-P452 WeakPolarHBondContact O-CD 3.5Å; Y449-A453 HydrophobicContact CD1-CB 4.08Å; Y449-A453 HydrophobicContact CE1-CB 3.8Å; Y449-A453 WeakPolarHBondContact O-CB 3.37Å; Y449-A453 PolarHBondContact O-N 2.84Å; Y449-V511 HydrophobicContact CD2-CB 4.38Å; Y449-V511 HydrophobicContact CD2-CG1 3.24Å; Y449-V511 HydrophobicContact CD2-CG2 4.24Å; Y449-V511 HydrophobicContact CE2-CB 4.4Å; Y449-V511 HydrophobicContact CE2-CG1 3.28Å; Y449-V511 HydrophobicContact CE2-CG2 4.32Å; Y449-V511 HydrophobicContact CG-CG1 4.33Å |
| 450 | T | 93.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -35.6 | -178.1 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | W325 L404 T408 L411 S446 V447 A453 T454 | W325-T450 HydrophobicContact CH2-CG2 4.01Å; W325-T450 HydrophobicContact CZ2-CG2 3.38Å; L404-T450 HydrophobicContact CD1-CG2 4.39Å; T408-T450 HydrophobicContact CG2-CG2 3.85Å; L411-T450 HydrophobicContact CD1-CG2 3.93Å; S446-T450 PolarHBondContact O-N 2.85Å; V447-T450 PolarHBondContact O-N 2.98Å; V447-T450 PolarHBondContact O-OG1 3.46Å; T450-A453 PolarHBondContact O-N 2.77Å; T450-T454 WeakPolarHBondContact O-CB 3.31Å; T450-T454 WeakPolarHBondContact O-CG2 3.36Å; T450-T454 PolarHBondContact O-N 3.46Å; T450-T454 PolarHBondContact O-OG1 3.39Å; T450-T454 VanDerWaalsContact O-OG1 3.14Å |
| 451 | V | 94.2 | Very high | 91.5 | Very high | 78 Ų | 78 | 41 Ų | 41 | 47% | 0.473 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -58.3 | -178.5 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | Y449 A453 T454 I455 | Y449-V451 PolarHBondContact O-N 3.21Å; V451-A453 VanDerWaalsContact C-N 3.3Å; V451-A453 PolarHBondContact O-N 3.33Å; V451-T454 PolarHBondContact O-N 3.45Å; V451-T454 PolarHBondContact O-OG1 3.42Å; V451-I455 HydrophobicContact CG1-CD1 3.88Å; V451-I455 WeakPolarHBondContact O-CG1 3.28Å; V451-I455 PolarHBondContact O-N 3.37Å; V451-I455 VanDerWaalsContact O-N 3.07Å |
| 452 | P | 95.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -39.7 | 174.3 | -24.4 | 31.9 | 0 | 0 | 0 | 113.9 | L448 Y449 I455 V456 M507 I510 V511 | L448-P452 WeakPolarHBondContact O-CD 3.05Å; Y449-P452 WeakPolarHBondContact O-CD 3.5Å; P452-I455 PolarHBondContact O-N 3.39Å; P452-V456 VanDerWaalsContact O-CG2 3.32Å; P452-V456 WeakPolarHBondContact O-CG2 3.09Å; P452-V456 PolarHBondContact O-N 3.1Å; P452-M507 HydrophobicContact CB-CB 4.11Å; P452-M507 VanDerWaalsContact CB-O 3.3Å; P452-M507 WeakPolarHBondContact CB-O 3.49Å; P452-M507 HydrophobicContact CB-SD 4.22Å; P452-M507 HydrophobicContact CG-SD 4.44Å; P452-I510 HydrophobicContact CB-CG2 3.9Å; P452-I510 HydrophobicContact CG-CG2 3.65Å; P452-V511 HydrophobicContact CB-CG2 3.67Å; P452-V511 HydrophobicContact CG-CG2 3.99Å |
| 453 | A | 95.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 39 Ų | 39 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L404 Y449 T450 V451 V456 I457 | L404-A453 HydrophobicContact CD1-CB 4.22Å; Y449-A453 HydrophobicContact CD1-CB 4.08Å; Y449-A453 HydrophobicContact CE1-CB 3.8Å; Y449-A453 WeakPolarHBondContact O-CB 3.37Å; Y449-A453 PolarHBondContact O-N 2.84Å; T450-A453 PolarHBondContact O-N 2.77Å; V451-A453 VanDerWaalsContact C-N 3.3Å; V451-A453 PolarHBondContact O-N 3.33Å; A453-V456 PolarHBondContact O-N 3.22Å; A453-I457 WeakPolarHBondContact O-CG1 3.47Å; A453-I457 PolarHBondContact O-N 2.85Å |
| 454 | T | 96.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | L404 T450 V451 I457 A458 | L404-T454 HydrophobicContact CD1-CG2 4.2Å; L404-T454 HydrophobicContact CD2-CG2 3.56Å; L404-T454 HydrophobicContact CG-CG2 4.5Å; T450-T454 WeakPolarHBondContact O-CB 3.31Å; T450-T454 WeakPolarHBondContact O-CG2 3.36Å; T450-T454 PolarHBondContact O-N 3.46Å; T450-T454 PolarHBondContact O-OG1 3.39Å; T450-T454 VanDerWaalsContact O-OG1 3.14Å; V451-T454 PolarHBondContact O-N 3.45Å; V451-T454 PolarHBondContact O-OG1 3.42Å; T454-I457 PolarHBondContact O-N 3.38Å; T454-A458 WeakPolarHBondContact O-CB 3.5Å; T454-A458 PolarHBondContact O-N 2.91Å |
| 455 | I | 97.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 39 Ų | 39 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 178 | -63.6 | 164.8 | 0 | 0 | 0 | 110.4 | V451 P452 I457 A458 C459 I503 M507 | V451-I455 HydrophobicContact CG1-CD1 3.88Å; V451-I455 WeakPolarHBondContact O-CG1 3.28Å; V451-I455 PolarHBondContact O-N 3.37Å; V451-I455 VanDerWaalsContact O-N 3.07Å; P452-I455 PolarHBondContact O-N 3.39Å; I455-I457 VanDerWaalsContact C-N 3.33Å; I455-I457 PolarHBondContact O-N 3.48Å; I455-A458 WeakPolarHBondContact O-CB 3.42Å; I455-A458 PolarHBondContact O-N 3.3Å; I455-A458 VanDerWaalsContact O-N 3.14Å; I455-C459 PolarHBondContact O-N 2.72Å; I455-C459 PolarHBondContact O-SG 2.65Å; I455-I503 HydrophobicContact CG2-CG2 3.49Å; I455-I503 VanDerWaalsContact CG2-CG2 3.49Å; I455-M507 HydrophobicContact CB-CB 4.49Å; I455-M507 HydrophobicContact CB-CG 4.05Å; I455-M507 HydrophobicContact CD1-CE 4.32Å; I455-M507 HydrophobicContact CD1-CG 4.17Å; I455-M507 HydrophobicContact CD1-SD 3.76Å; I455-M507 HydrophobicContact CG2-CB 4.4Å; I455-M507 HydrophobicContact CG2-CG 3.73Å |
| 456 | V | 97.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | P452 A453 A458 C459 Y460 M507 | P452-V456 VanDerWaalsContact O-CG2 3.32Å; P452-V456 WeakPolarHBondContact O-CG2 3.09Å; P452-V456 PolarHBondContact O-N 3.1Å; A453-V456 PolarHBondContact O-N 3.22Å; V456-A458 VanDerWaalsContact C-N 3.35Å; V456-C459 WeakPolarHBondContact O-CB 3.47Å; V456-C459 PolarHBondContact O-N 3.47Å; V456-Y460 HydrophobicContact CG1-CD2 3.86Å; V456-Y460 HydrophobicContact CG1-CE2 3.48Å; V456-Y460 VanDerWaalsContact CG1-CE2 3.48Å; V456-Y460 VanDerWaalsContact O-CD2 3.23Å; V456-Y460 WeakPolarHBondContact O-CD2 3.42Å; V456-Y460 PolarHBondContact O-N 3.33Å; V456-M507 HydrophobicContact CG2-CB 3.74Å |
| 457 | I | 97.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.5 | -70.1 | 168.7 | 0 | 0 | 0 | 110.9 | L397 L400 L404 A453 T454 I455 C459 Y460 F461 | L397-I457 HydrophobicContact CD2-CG2 4.21Å; L400-I457 HydrophobicContact CB-CD1 4.02Å; L400-I457 HydrophobicContact CB-CG1 3.99Å; L400-I457 HydrophobicContact CD1-CG1 4.49Å; L404-I457 HydrophobicContact CB-CD1 4.12Å; L404-I457 HydrophobicContact CD2-CD1 3.72Å; A453-I457 WeakPolarHBondContact O-CG1 3.47Å; A453-I457 PolarHBondContact O-N 2.85Å; T454-I457 PolarHBondContact O-N 3.38Å; I455-I457 VanDerWaalsContact C-N 3.33Å; I455-I457 PolarHBondContact O-N 3.48Å; I457-C459 VanDerWaalsContact C-N 3.35Å; I457-C459 PolarHBondContact O-N 2.9Å; I457-Y460 PolarHBondContact O-N 3.21Å; I457-F461 HydrophobicContact CG2-CD2 3.66Å; I457-F461 HydrophobicContact CG2-CE2 3.6Å; I457-F461 WeakPolarHBondContact O-CD2 3.45Å; I457-F461 PolarHBondContact O-N 3.1Å |
| 458 | A | 97.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T454 I455 V456 Y460 F461 Y462 | T454-A458 WeakPolarHBondContact O-CB 3.5Å; T454-A458 PolarHBondContact O-N 2.91Å; I455-A458 WeakPolarHBondContact O-CB 3.42Å; I455-A458 PolarHBondContact O-N 3.3Å; I455-A458 VanDerWaalsContact O-N 3.14Å; V456-A458 VanDerWaalsContact C-N 3.35Å; A458-Y460 PolarHBondContact O-N 3.43Å; A458-F461 PolarHBondContact O-N 3.49Å; A458-Y462 PolarHBondContact O-N 3.11Å |
| 459 | C | 97.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 172.5 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | I455 V456 I457 Y462 E463 V500 K504 | I455-C459 PolarHBondContact O-N 2.72Å; I455-C459 PolarHBondContact O-SG 2.65Å; V456-C459 WeakPolarHBondContact O-CB 3.47Å; V456-C459 PolarHBondContact O-N 3.47Å; I457-C459 VanDerWaalsContact C-N 3.35Å; I457-C459 PolarHBondContact O-N 2.9Å; C459-Y462 WeakPolarHBondContact O-CB 3.47Å; C459-Y462 PolarHBondContact O-N 3.33Å; C459-E463 WeakPolarHBondContact O-CG 3.07Å; C459-E463 PolarHBondContact O-N 2.98Å; C459-V500 HydrophobicContact CB-CG1 4.03Å; C459-K504 HydrophobicContact CB-CB 3.88Å; C459-K504 HydrophobicContact CB-CD 4.28Å; C459-K504 HydrophobicContact CB-CG 4.09Å |
| 460 | Y | 97.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 9% | 0.09 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -34.9 | 176.4 | -74.7 | -54.3 | 0 | 0 | 0 | 113.2 | L392 V396 L397 L400 V456 I457 A458 E463 Q464 K504 | L392-Y460 HydrophobicContact CD1-CD1 3.73Å; L392-Y460 HydrophobicContact CD1-CE1 4.06Å; L392-Y460 HydrophobicContact CD1-CG 4.45Å; V396-Y460 HydrophobicContact CG1-CD2 4.06Å; V396-Y460 HydrophobicContact CG1-CE1 4.29Å; V396-Y460 HydrophobicContact CG1-CE2 3.66Å; L397-Y460 VanDerWaalsContact CD2-CB 3.49Å; L397-Y460 HydrophobicContact CD2-CG 4.46Å; L400-Y460 HydrophobicContact CD1-CD2 4.24Å; L400-Y460 HydrophobicContact CD1-CE2 4.01Å; V456-Y460 HydrophobicContact CG1-CD2 3.86Å; V456-Y460 HydrophobicContact CG1-CE2 3.48Å; V456-Y460 VanDerWaalsContact CG1-CE2 3.48Å; V456-Y460 VanDerWaalsContact O-CD2 3.23Å; V456-Y460 WeakPolarHBondContact O-CD2 3.42Å; V456-Y460 PolarHBondContact O-N 3.33Å; I457-Y460 PolarHBondContact O-N 3.21Å; A458-Y460 PolarHBondContact O-N 3.43Å; Y460-E463 PolarHBondContact O-N 2.87Å; Y460-Q464 WeakPolarHBondContact O-CB 3.44Å; Y460-Q464 PolarHBondContact O-N 2.04Å; Y460-K504 HydrophobicContact CD1-CD 4.48Å; Y460-K504 HydrophobicContact CE1-CD 4.05Å |
| 461 | F | 96.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 171.7 | -89.7 | -69.4 | 0 | 0 | 0 | 112.1 | L397 I457 A458 Q464 A465 | L397-F461 HydrophobicContact CD2-CD2 4.05Å; L397-F461 HydrophobicContact CD2-CE2 4.07Å; L397-F461 HydrophobicContact CD2-CG 4.49Å; I457-F461 HydrophobicContact CG2-CD2 3.66Å; I457-F461 HydrophobicContact CG2-CE2 3.6Å; I457-F461 WeakPolarHBondContact O-CD2 3.45Å; I457-F461 PolarHBondContact O-N 3.1Å; A458-F461 PolarHBondContact O-N 3.49Å; F461-Q464 PolarHBondContact O-N 2.72Å; F461-A465 VanDerWaalsContact O-CB 3.27Å; F461-A465 WeakPolarHBondContact O-CB 3.33Å; F461-A465 PolarHBondContact O-N 3.34Å |
| 462 | Y | 96.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 172.8 | 170 | -93.7 | 0 | 0 | 0 | 111.1 | A458 C459 Q464 A465 F466 W470 D497 V500 | A458-Y462 PolarHBondContact O-N 3.11Å; C459-Y462 WeakPolarHBondContact O-CB 3.47Å; C459-Y462 PolarHBondContact O-N 3.33Å; Y462-Q464 VanDerWaalsContact C-N 3.33Å; Y462-Q464 PolarHBondContact O-N 2.89Å; Y462-A465 PolarHBondContact O-N 3.3Å; Y462-F466 AromaticContact CD2-CD2 3.52Å; Y462-F466 HydrophobicContact CD2-CD2 3.52Å; Y462-F466 AromaticContact CD2-CE2 3.65Å; Y462-F466 HydrophobicContact CD2-CE2 3.65Å; Y462-F466 AromaticContact CE2-CD2 3.6Å; Y462-F466 HydrophobicContact CE2-CD2 3.6Å; Y462-F466 AromaticContact CE2-CE2 3.84Å; Y462-F466 HydrophobicContact CE2-CE2 3.84Å; Y462-F466 HydrophobicContact CG-CD2 4.22Å; Y462-F466 WeakPolarHBondContact O-CD2 3.24Å; Y462-F466 PolarHBondContact O-N 3.03Å; Y462-W470 AromaticContact CD1-CH2 3.83Å; Y462-W470 HydrophobicContact CD1-CH2 3.83Å; Y462-W470 HydrophobicContact CD1-CZ2 4.07Å; Y462-W470 AromaticContact CE1-CH2 3.45Å; Y462-W470 HydrophobicContact CE1-CH2 3.45Å; Y462-W470 VanDerWaalsContact CE1-CH2 3.45Å; Y462-W470 AromaticContact CE1-CZ2 3.36Å; Y462-W470 HydrophobicContact CE1-CZ2 3.36Å; Y462-W470 HydrophobicContact CE2-CZ2 4.42Å; Y462-W470 AromaticContact CZ-CZ2 3.56Å; Y462-D497 WeakPolarHBondContact OH-CB 2.91Å; Y462-D497 PolarHBondContact OH-N 3.42Å; Y462-V500 HydrophobicContact CD1-CB 4.09Å; Y462-V500 HydrophobicContact CD1-CG1 3.57Å; Y462-V500 HydrophobicContact CD1-CG2 4.24Å; Y462-V500 HydrophobicContact CE1-CB 4.01Å; Y462-V500 HydrophobicContact CE1-CG1 4.03Å; Y462-V500 HydrophobicContact CE1-CG2 4.01Å; Y462-V500 HydrophobicContact CG-CG1 4.08Å |
| 463 | E | 94.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.2 | -73.1 | -179.1 | -130.9 | 0 | 0 | 112.1 | C459 Y460 R467 W470 F501 K504 | C459-E463 WeakPolarHBondContact O-CG 3.07Å; C459-E463 PolarHBondContact O-N 2.98Å; Y460-E463 PolarHBondContact O-N 2.87Å; E463-R467 VanDerWaalsContact O-CB 3.25Å; E463-R467 WeakPolarHBondContact O-CB 3.38Å; E463-R467 PolarHBondContact O-N 3.4Å; E463-R467 IonicContact OE2-NH2 2.91Å; E463-R467 PolarHBondContact OE2-NH2 2.94Å; E463-W470 HydrophobicContact CB-CH2 4.46Å; E463-W470 HydrophobicContact CB-CZ3 4.41Å; E463-W470 HydrophobicContact CG-CH2 4.32Å; E463-W470 HydrophobicContact CG-CZ3 4.39Å; E463-F501 HydrophobicContact CG-CE1 4.19Å; E463-F501 HydrophobicContact CG-CE2 4.47Å; E463-F501 HydrophobicContact CG-CZ 3.82Å; E463-K504 WeakPolarHBondContact OE1-CD 3.44Å; E463-K504 WeakPolarHBondContact OE1-CE 3.12Å; E463-K504 IonicContact OE1-NZ 3.53Å; E463-K504 PolarHBondContact OE1-NZ 3.24Å; E463-K504 IonicContact OE2-NZ 3.49Å |
| 464 | Q | 94.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.7 | 175.9 | -176.4 | -58.6 | 0 | 0 | 112.7 | V389 L392 L397 Y460 F461 Y462 | V389-Q464 HydrophobicContact CG1-CG 3.99Å; L392-Q464 HydrophobicContact CD2-CB 4.35Å; L397-Q464 HydrophobicContact CD1-CB 4.45Å; Y460-Q464 WeakPolarHBondContact O-CB 3.44Å; Y460-Q464 PolarHBondContact O-N 2.04Å; F461-Q464 PolarHBondContact O-N 2.72Å; Y462-Q464 VanDerWaalsContact C-N 3.33Å; Y462-Q464 PolarHBondContact O-N 2.89Å |
| 465 | A | 94.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70 | -35.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F461 Y462 | F461-A465 VanDerWaalsContact O-CB 3.27Å; F461-A465 WeakPolarHBondContact O-CB 3.33Å; F461-A465 PolarHBondContact O-N 3.34Å; Y462-A465 PolarHBondContact O-N 3.3Å |
| 466 | F | 93.4 | Very high | 92.9 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -106.9 | -4.9 | -172.3 | -63.8 | -70.3 | 0 | 0 | 0 | 114.2 | Y462 E468 Q469 W470 M494 | Y462-F466 AromaticContact CD2-CD2 3.52Å; Y462-F466 HydrophobicContact CD2-CD2 3.52Å; Y462-F466 AromaticContact CD2-CE2 3.65Å; Y462-F466 HydrophobicContact CD2-CE2 3.65Å; Y462-F466 AromaticContact CE2-CD2 3.6Å; Y462-F466 HydrophobicContact CE2-CD2 3.6Å; Y462-F466 AromaticContact CE2-CE2 3.84Å; Y462-F466 HydrophobicContact CE2-CE2 3.84Å; Y462-F466 HydrophobicContact CG-CD2 4.22Å; Y462-F466 WeakPolarHBondContact O-CD2 3.24Å; Y462-F466 PolarHBondContact O-N 3.03Å; F466-E468 PolarHBondContact O-N 3.01Å; F466-Q469 WeakPolarHBondContact O-CB 3.45Å; F466-Q469 PolarHBondContact O-N 3.5Å; F466-W470 HydrophobicContact CB-CD2 4.25Å; F466-W470 VanDerWaalsContact CB-CE2 3.44Å; F466-W470 HydrophobicContact CB-CH2 4.24Å; F466-W470 HydrophobicContact CB-CZ2 3.44Å; F466-W470 VanDerWaalsContact CB-CZ2 3.44Å; F466-W470 HydrophobicContact CG-CZ2 4.42Å; F466-W470 VanDerWaalsContact O-CG 3.32Å; F466-W470 PolarHBondContact O-N 2.97Å; F466-W470 VanDerWaalsContact O-N 3.08Å; F466-M494 HydrophobicContact CB-CE 4.15Å; F466-M494 HydrophobicContact CD1-CE 3.33Å; F466-M494 HydrophobicContact CD1-SD 3.57Å; F466-M494 VanDerWaalsContact CD1-SD 3.57Å; F466-M494 HydrophobicContact CD2-CE 4.2Å; F466-M494 HydrophobicContact CE1-CE 3.65Å; F466-M494 HydrophobicContact CE1-SD 4.07Å; F466-M494 HydrophobicContact CE2-CE 4.48Å; F466-M494 HydrophobicContact CG-CE 3.64Å; F466-M494 HydrophobicContact CG-SD 4.26Å; F466-M494 HydrophobicContact CZ-CE 4.22Å |
| 467 | R | 91.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 4% | 0.038 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.7 | -48.6 | -177.2 | -177.2 | 158.2 | -65.4 | 176.9 | -0.7 | 114.1 | G385 I386 V389 E463 Q469 W470 E471 | G385-R467 PolarHBondContact O-NH1 2.74Å; I386-R467 PolarHBondContact O-NH1 3.22Å; V389-R467 HydrophobicContact CG2-CG 4.47Å; E463-R467 VanDerWaalsContact O-CB 3.25Å; E463-R467 WeakPolarHBondContact O-CB 3.38Å; E463-R467 PolarHBondContact O-N 3.4Å; E463-R467 IonicContact OE2-NH2 2.91Å; E463-R467 PolarHBondContact OE2-NH2 2.94Å; R467-Q469 PolarHBondContact O-N 3.49Å; R467-W470 HydrophobicContact CB-CE3 4.43Å; R467-W470 WeakPolarHBondContact O-CB 3.45Å; R467-W470 PolarHBondContact O-N 2.74Å; R467-W470 VanDerWaalsContact O-N 3.14Å; R467-E471 HydrophobicContact CG-CG 4.27Å; R467-E471 VanDerWaalsContact CG-OE1 3.27Å; R467-E471 WeakPolarHBondContact CG-OE1 3.06Å; R467-E471 WeakPolarHBondContact O-CG 3.44Å; R467-E471 PolarHBondContact O-N 3.28Å |
| 468 | E | 89.1 | Confident | 91.8 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.6 | -35.7 | -179.2 | -174.6 | 179.5 | -174.9 | 0 | 0 | 112.1 | F466 R472 | F466-E468 PolarHBondContact O-N 3.01Å; E468-R472 WeakPolarHBondContact O-CB 3.31Å; E468-R472 VanDerWaalsContact O-CG 3.24Å; E468-R472 WeakPolarHBondContact O-CG 3.48Å; E468-R472 PolarHBondContact O-N 2.93Å; E468-R472 IonicContact OE1-CZ 3.43Å; E468-R472 IonicContact OE1-NE 3.1Å; E468-R472 PolarHBondContact OE1-NE 3.12Å; E468-R472 IonicContact OE1-NH2 3.98Å; E468-R472 PolarHBondContact OE1-NH2 2.88Å |
| 469 | Q | 90.5 | Very high | 91.2 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 42% | 0.421 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.9 | -37.4 | 178.7 | -61.6 | 173.3 | 7.2 | 0 | 0 | 111.3 | F466 R467 T473 M494 | F466-Q469 WeakPolarHBondContact O-CB 3.45Å; F466-Q469 PolarHBondContact O-N 3.5Å; R467-Q469 PolarHBondContact O-N 3.49Å; Q469-T473 WeakPolarHBondContact O-CB 3.05Å; Q469-T473 PolarHBondContact O-N 2.8Å; Q469-T473 PolarHBondContact O-OG1 3.21Å; Q469-M494 PolarHBondContact OE1-SD 3.39Å |
| 470 | W | 91.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 174 | -54.7 | -25.5 | 0 | 0 | 0 | 111.9 | Y216 Y462 E463 F466 R467 T473 W474 S495 P496 F501 | Y216-W470 HydrophobicContact CD1-CB 4.23Å; Y216-W470 HydrophobicContact CE1-CB 3.61Å; Y462-W470 AromaticContact CD1-CH2 3.83Å; Y462-W470 HydrophobicContact CD1-CH2 3.83Å; Y462-W470 HydrophobicContact CD1-CZ2 4.07Å; Y462-W470 AromaticContact CE1-CH2 3.45Å; Y462-W470 HydrophobicContact CE1-CH2 3.45Å; Y462-W470 VanDerWaalsContact CE1-CH2 3.45Å; Y462-W470 AromaticContact CE1-CZ2 3.36Å; Y462-W470 HydrophobicContact CE1-CZ2 3.36Å; Y462-W470 HydrophobicContact CE2-CZ2 4.42Å; Y462-W470 AromaticContact CZ-CZ2 3.56Å; E463-W470 HydrophobicContact CB-CH2 4.46Å; E463-W470 HydrophobicContact CB-CZ3 4.41Å; E463-W470 HydrophobicContact CG-CH2 4.32Å; E463-W470 HydrophobicContact CG-CZ3 4.39Å; F466-W470 HydrophobicContact CB-CD2 4.25Å; F466-W470 VanDerWaalsContact CB-CE2 3.44Å; F466-W470 HydrophobicContact CB-CH2 4.24Å; F466-W470 HydrophobicContact CB-CZ2 3.44Å; F466-W470 VanDerWaalsContact CB-CZ2 3.44Å; F466-W470 HydrophobicContact CG-CZ2 4.42Å; F466-W470 VanDerWaalsContact O-CG 3.32Å; F466-W470 PolarHBondContact O-N 2.97Å; F466-W470 VanDerWaalsContact O-N 3.08Å; R467-W470 HydrophobicContact CB-CE3 4.43Å; R467-W470 WeakPolarHBondContact O-CB 3.45Å; R467-W470 PolarHBondContact O-N 2.74Å; R467-W470 VanDerWaalsContact O-N 3.14Å; W470-T473 PolarHBondContact O-N 3.27Å; W470-W474 WeakPolarHBondContact O-CB 3.43Å; W470-W474 PolarHBondContact O-N 2.91Å; W470-S495 PolarHBondContact NE1-O 3.13Å; W470-P496 HydrophobicContact CD2-CB 3.86Å; W470-P496 HydrophobicContact CD2-CG 4.24Å; W470-P496 HydrophobicContact CE3-CB 3.99Å; W470-P496 HydrophobicContact CE3-CG 4.4Å; W470-P496 HydrophobicContact CH2-CB 3.87Å; W470-P496 HydrophobicContact CZ2-CB 3.75Å; W470-P496 HydrophobicContact CZ3-CB 4Å; W470-F501 HydrophobicContact CZ3-CZ 4.38Å |
| 471 | E | 89.8 | Confident | 89.9 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 177.2 | -72.7 | 174 | -179.2 | 0 | 0 | 111.3 | L197 M215 Y216 R467 W474 V475 | L197-E471 HydrophobicContact CD2-CB 3.71Å; L197-E471 HydrophobicContact CD2-CG 3.66Å; M215-E471 HydrophobicContact CE-CG 3.88Å; Y216-E471 WeakPolarHBondContact OH-CG 3.38Å; R467-E471 HydrophobicContact CG-CG 4.27Å; R467-E471 VanDerWaalsContact CG-OE1 3.27Å; R467-E471 WeakPolarHBondContact CG-OE1 3.06Å; R467-E471 WeakPolarHBondContact O-CG 3.44Å; R467-E471 PolarHBondContact O-N 3.28Å; E471-W474 PolarHBondContact O-N 3.28Å; E471-V475 WeakPolarHBondContact O-CG2 3.27Å; E471-V475 PolarHBondContact O-N 2.76Å |
| 472 | R | 88.3 | Confident | 89.1 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.8 | -71.2 | 172.8 | -176.8 | -158.1 | 2.2 | 112.3 | E468 V475 S476 | E468-R472 WeakPolarHBondContact O-CB 3.31Å; E468-R472 VanDerWaalsContact O-CG 3.24Å; E468-R472 WeakPolarHBondContact O-CG 3.48Å; E468-R472 PolarHBondContact O-N 2.93Å; E468-R472 IonicContact OE1-CZ 3.43Å; E468-R472 IonicContact OE1-NE 3.1Å; E468-R472 PolarHBondContact OE1-NE 3.12Å; E468-R472 IonicContact OE1-NH2 3.98Å; E468-R472 PolarHBondContact OE1-NH2 2.88Å; R472-V475 PolarHBondContact O-N 2.86Å; R472-S476 PolarHBondContact O-N 3.17Å |
| 473 | T | 89.4 | Confident | 88.5 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | Q469 W470 V475 S476 Q477 N493 M494 | Q469-T473 WeakPolarHBondContact O-CB 3.05Å; Q469-T473 PolarHBondContact O-N 2.8Å; Q469-T473 PolarHBondContact O-OG1 3.21Å; W470-T473 PolarHBondContact O-N 3.27Å; T473-V475 PolarHBondContact O-N 3.24Å; T473-S476 PolarHBondContact O-N 3.24Å; T473-S476 PolarHBondContact O-OG 3.26Å; T473-Q477 HydrophobicContact CG2-CG 4.48Å; T473-Q477 WeakPolarHBondContact O-CG 3.3Å; T473-Q477 PolarHBondContact O-N 3.21Å; T473-N493 HydrophobicContact CG2-CB 3.87Å; T473-M494 VanDerWaalsContact CB-O 3.28Å; T473-M494 WeakPolarHBondContact CB-O 3.09Å; T473-M494 PolarHBondContact OG1-N 2.85Å; T473-M494 VanDerWaalsContact OG1-N 3.08Å; T473-M494 PolarHBondContact OG1-O 3.34Å; T473-M494 VanDerWaalsContact OG1-O 3.1Å |
| 474 | W | 89.1 | Confident | 88 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 177.1 | 178.9 | 76.3 | 0 | 0 | 0 | 112.1 | F180 L186 F196 L197 P205 M215 W470 E471 S476 Q477 S478 Y482 | F180-W474 HydrophobicContact CE2-CZ3 4.23Å; L186-W474 HydrophobicContact CD1-CH2 4.39Å; F196-W474 AromaticContact CE1-CH2 3.8Å; F196-W474 HydrophobicContact CE1-CH2 3.8Å; F196-W474 AromaticContact CE1-CZ3 3.7Å; F196-W474 HydrophobicContact CE1-CZ3 3.7Å; F196-W474 HydrophobicContact CZ-CE3 4.33Å; F196-W474 AromaticContact CZ-CH2 3.89Å; F196-W474 HydrophobicContact CZ-CH2 3.89Å; F196-W474 AromaticContact CZ-CZ3 3.71Å; F196-W474 HydrophobicContact CZ-CZ3 3.71Å; L197-W474 HydrophobicContact CD1-CE3 3.99Å; L197-W474 HydrophobicContact CD1-CZ3 3.74Å; P205-W474 HydrophobicContact CG-CZ2 3.99Å; M215-W474 HydrophobicContact CE-CD2 4.29Å; M215-W474 HydrophobicContact CE-CE3 4.24Å; M215-W474 HydrophobicContact CE-CG 4.4Å; M215-W474 HydrophobicContact CG-CB 4.45Å; M215-W474 HydrophobicContact CG-CD2 3.79Å; M215-W474 HydrophobicContact CG-CG 3.71Å; M215-W474 PolarHBondContact O-NE1 3.15Å; W470-W474 WeakPolarHBondContact O-CB 3.43Å; W470-W474 PolarHBondContact O-N 2.91Å; E471-W474 PolarHBondContact O-N 3.28Å; W474-S476 VanDerWaalsContact C-N 3.31Å; W474-S476 PolarHBondContact O-N 3Å; W474-Q477 PolarHBondContact O-N 3.48Å; W474-Q477 VanDerWaalsContact O-N 3.16Å; W474-S478 PolarHBondContact NE1-OG 3.15Å; W474-S478 WeakPolarHBondContact O-CB 3.46Å; W474-S478 PolarHBondContact O-N 3.49Å; W474-S478 PolarHBondContact O-OG 3.43Å; W474-Y482 HydrophobicContact CH2-CD2 4.49Å; W474-Y482 HydrophobicContact CH2-CE2 4.21Å; W474-Y482 HydrophobicContact CZ2-CD2 4.45Å; W474-Y482 AromaticContact CZ2-CE2 3.81Å; W474-Y482 HydrophobicContact CZ2-CE2 3.81Å |
| 475 | V | 87.9 | Confident | 87.4 | Confident | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F180 L197 E471 R472 T473 Q477 S478 C479 P487 | F180-V475 HydrophobicContact CD2-CG1 4.17Å; F180-V475 HydrophobicContact CD2-CG2 3.96Å; F180-V475 HydrophobicContact CE2-CG2 4.42Å; L197-V475 HydrophobicContact CD1-CG2 3.53Å; E471-V475 WeakPolarHBondContact O-CG2 3.27Å; E471-V475 PolarHBondContact O-N 2.76Å; R472-V475 PolarHBondContact O-N 2.86Å; T473-V475 PolarHBondContact O-N 3.24Å; V475-Q477 VanDerWaalsContact C-N 3.28Å; V475-Q477 PolarHBondContact O-N 2.05Å; V475-S478 PolarHBondContact O-N 2.74Å; V475-C479 WeakPolarHBondContact O-CA 3.42Å; V475-C479 WeakPolarHBondContact O-CB 3.1Å; V475-C479 PolarHBondContact O-N 3.09Å; V475-P487 HydrophobicContact CG1-CG 4.21Å |
| 476 | S | 87.3 | Confident | 86.8 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 179.7 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | R472 T473 W474 C479 | R472-S476 PolarHBondContact O-N 3.17Å; T473-S476 PolarHBondContact O-N 3.24Å; T473-S476 PolarHBondContact O-OG 3.26Å; W474-S476 VanDerWaalsContact C-N 3.31Å; W474-S476 PolarHBondContact O-N 3Å; S476-C479 PolarHBondContact O-SG 3.14Å |
| 477 | Q | 86.3 | Confident | 86.3 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -84 | -33.5 | 180 | -70.6 | 177.1 | -8.1 | 0 | 0 | 112.4 | T473 W474 V475 | T473-Q477 HydrophobicContact CG2-CG 4.48Å; T473-Q477 WeakPolarHBondContact O-CG 3.3Å; T473-Q477 PolarHBondContact O-N 3.21Å; W474-Q477 PolarHBondContact O-N 3.48Å; W474-Q477 VanDerWaalsContact O-N 3.16Å; V475-Q477 VanDerWaalsContact C-N 3.28Å; V475-Q477 PolarHBondContact O-N 2.05Å |
| 478 | S | 85 | Confident | 85.5 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -97.8 | -5.4 | -175.1 | -57 | 0 | 0 | 0 | 0 | 113.8 | H212 W474 V475 Q480 T481 Y482 | H212-S478 PolarHBondContact ND1-OG 2.82Å; W474-S478 PolarHBondContact NE1-OG 3.15Å; W474-S478 WeakPolarHBondContact O-CB 3.46Å; W474-S478 PolarHBondContact O-N 3.49Å; W474-S478 PolarHBondContact O-OG 3.43Å; V475-S478 PolarHBondContact O-N 2.74Å; S478-Q480 VanDerWaalsContact C-N 3.34Å; S478-Q480 PolarHBondContact O-N 3.36Å; S478-T481 PolarHBondContact O-N 3.37Å; S478-T481 VanDerWaalsContact O-N 3.16Å; S478-Y482 WeakPolarHBondContact O-CD2 3.23Å; S478-Y482 PolarHBondContact O-N 2.86Å |
| 479 | C | 85.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -41.8 | -175.2 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | V475 S476 A483 V484 C486 | V475-C479 WeakPolarHBondContact O-CA 3.42Å; V475-C479 WeakPolarHBondContact O-CB 3.1Å; V475-C479 PolarHBondContact O-N 3.09Å; S476-C479 PolarHBondContact O-SG 3.14Å; C479-A483 WeakPolarHBondContact O-CA 3.31Å; C479-A483 PolarHBondContact O-N 3.02Å; C479-V484 HydrophobicContact CB-CG2 3.84Å; C479-V484 PolarHBondContact O-N 3.39Å; C479-C486 HydrophobicContact CB-CB 3.89Å; C479-C486 WeakPolarHBondContact CB-SG 3.03Å; C479-C486 VanDerWaalsContact SG-CA 3.52Å; C479-C486 WeakPolarHBondContact SG-CB 3.48Å; C479-C486 CovalentContact SG-SG 2.03Å; C479-C486 PolarHBondContact SG-SG 3.4Å |
| 480 | Q | 84.5 | Confident | 83.4 | Confident | 169 Ų | 169 | 62 Ų | 62 | 79% | 0.79 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -43.6 | 177.9 | -64.5 | -177 | -3.3 | 0 | 0 | 111.4 | S478 Y482 A483 | S478-Q480 VanDerWaalsContact C-N 3.34Å; S478-Q480 PolarHBondContact O-N 3.36Å; Q480-Y482 VanDerWaalsContact C-N 3.34Å; Q480-Y482 PolarHBondContact O-N 3.47Å; Q480-A483 PolarHBondContact O-N 3.12Å |
| 481 | T | 82.5 | Confident | 82.3 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -39 | 180 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | S478 | S478-T481 PolarHBondContact O-N 3.37Å; S478-T481 VanDerWaalsContact O-N 3.16Å |
| 482 | Y | 81.2 | Confident | 81.6 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.7 | 179.3 | -71.2 | -69.3 | 0 | 0 | 0 | 113.8 | P183 L186 H212 M295 W474 S478 Q480 V484 | P183-Y482 HydrophobicContact CB-CD1 4.19Å; P183-Y482 HydrophobicContact CB-CG 4.37Å; P183-Y482 WeakPolarHBondContact CB-O 3.47Å; P183-Y482 HydrophobicContact CG-CD1 3.89Å; P183-Y482 HydrophobicContact CG-CG 4.07Å; L186-Y482 HydrophobicContact CD1-CD1 4.41Å; L186-Y482 HydrophobicContact CD1-CE1 4.11Å; L186-Y482 HydrophobicContact CD2-CE1 4.31Å; L186-Y482 HydrophobicContact CG-CE1 4.14Å; H212-Y482 HydrophobicContact CB-CE2 4.37Å; H212-Y482 PolarHBondContact O-OH 3.13Å; M295-Y482 WeakPolarHBondContact CE-OH 2.98Å; M295-Y482 HydrophobicContact SD-CE1 3.91Å; M295-Y482 PolarHBondContact SD-OH 3.45Å; W474-Y482 HydrophobicContact CH2-CD2 4.49Å; W474-Y482 HydrophobicContact CH2-CE2 4.21Å; W474-Y482 HydrophobicContact CZ2-CD2 4.45Å; W474-Y482 AromaticContact CZ2-CE2 3.81Å; W474-Y482 HydrophobicContact CZ2-CE2 3.81Å; S478-Y482 WeakPolarHBondContact O-CD2 3.23Å; S478-Y482 PolarHBondContact O-N 2.86Å; Q480-Y482 VanDerWaalsContact C-N 3.34Å; Q480-Y482 PolarHBondContact O-N 3.47Å; Y482-V484 PolarHBondContact O-N 3.03Å |
| 483 | A | 82.6 | Confident | 81.3 | Confident | 95 Ų | 95 | 68.9 Ų | 68.9 | 79% | 0.785 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C479 Q480 | C479-A483 WeakPolarHBondContact O-CA 3.31Å; C479-A483 PolarHBondContact O-N 3.02Å; Q480-A483 PolarHBondContact O-N 3.12Å |
| 484 | V | 83.1 | Confident | 81.2 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 154.8 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | R181 P183 C479 Y482 C486 | R181-V484 WeakPolarHBondContact O-CG1 3.29Å; P183-V484 HydrophobicContact CB-CG1 3.87Å; P183-V484 HydrophobicContact CG-CG1 4.35Å; C479-V484 HydrophobicContact CB-CG2 3.84Å; C479-V484 PolarHBondContact O-N 3.39Å; Y482-V484 PolarHBondContact O-N 3.03Å; V484-C486 PolarHBondContact O-N 2.72Å; V484-C486 VanDerWaalsContact O-N 3.14Å |
| 485 | P | 82.4 | Confident | 81.2 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 120 | 179.2 | -24.9 | 34.6 | 0 | 0 | 0 | 112 | ||
| 486 | C | 82.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 74 Ų | 74 | 46% | 0.459 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -73 | 125.5 | 178.6 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | C479 V484 | C479-C486 HydrophobicContact CB-CB 3.89Å; C479-C486 WeakPolarHBondContact CB-SG 3.03Å; C479-C486 VanDerWaalsContact SG-CA 3.52Å; C479-C486 WeakPolarHBondContact SG-CB 3.48Å; C479-C486 CovalentContact SG-SG 2.03Å; C479-C486 PolarHBondContact SG-SG 3.4Å; V484-C486 PolarHBondContact O-N 2.72Å; V484-C486 VanDerWaalsContact O-N 3.14Å |
| 487 | P | 82.1 | Confident | 81.8 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 29% | 0.292 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 151 | 176 | 28.5 | -33.8 | 0 | 0 | 0 | 111.1 | V475 Q489 | V475-P487 HydrophobicContact CG1-CG 4.21Å; P487-Q489 PolarHBondContact O-N 2.78Å |
| 488 | I | 75 | Confident | 82.2 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 66% | 0.656 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 121.8 | 174.2 | -57.3 | 173.3 | 0 | 0 | 0 | 108.3 | N490 | I488-N490 PolarHBondContact O-N 2.9Š|
| 489 | Q | 68.4 | Low | 82.8 | Confident | 120 Ų | 120 | 77.2 Ų | 77.2 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | trans | -79.9 | 80.2 | -170.6 | -149.9 | 167.8 | 15.4 | 0 | 0 | 110.9 | P487 N493 | P487-Q489 PolarHBondContact O-N 2.78Å; Q489-N493 PolarHBondContact NE2-OD1 3.15Å | ||
| 490 | N | 66.8 | Low | 83.3 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | trans | -93.3 | -1.4 | -180 | -74 | -13.2 | 0 | 0 | 0 | 114 | I488 | I488-N490 PolarHBondContact O-N 2.9Š| ||
| 491 | H | 66.9 | Low | 83.9 | Confident | 123 Ų | 123 | 71 Ų | 71 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -126.5 | 148.8 | -176 | -65.8 | -62.7 | 0 | 0 | 0 | 111.2 | ||
| 492 | P | 76.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 67.7 Ų | 67.7 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | trans | -62 | 139.8 | 173.7 | 26.9 | -33.5 | 0 | 0 | 0 | 110.3 | M494 | P492-M494 PolarHBondContact O-N 2.94Š| ||
| 493 | N | 82.5 | Confident | 85.4 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | trans | -62.3 | 126.1 | 175.1 | -69.6 | -20.3 | 0 | 0 | 0 | 109.5 | T473 Q489 | T473-N493 HydrophobicContact CG2-CB 3.87Å; Q489-N493 PolarHBondContact NE2-OD1 3.15Å | ||
| 494 | M | 87.7 | Confident | 86.1 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | trans | -132 | 130.9 | 176.2 | -170.9 | 174.5 | -177.5 | 0 | 0 | 110.1 | F466 Q469 T473 P492 | F466-M494 HydrophobicContact CB-CE 4.15Å; F466-M494 HydrophobicContact CD1-CE 3.33Å; F466-M494 HydrophobicContact CD1-SD 3.57Å; F466-M494 VanDerWaalsContact CD1-SD 3.57Å; F466-M494 HydrophobicContact CD2-CE 4.2Å; F466-M494 HydrophobicContact CE1-CE 3.65Å; F466-M494 HydrophobicContact CE1-SD 4.07Å; F466-M494 HydrophobicContact CE2-CE 4.48Å; F466-M494 HydrophobicContact CG-CE 3.64Å; F466-M494 HydrophobicContact CG-SD 4.26Å; F466-M494 HydrophobicContact CZ-CE 4.22Å; Q469-M494 PolarHBondContact OE1-SD 3.39Å; T473-M494 VanDerWaalsContact CB-O 3.28Å; T473-M494 WeakPolarHBondContact CB-O 3.09Å; T473-M494 PolarHBondContact OG1-N 2.85Å; T473-M494 VanDerWaalsContact OG1-N 3.08Å; T473-M494 PolarHBondContact OG1-O 3.34Å; T473-M494 VanDerWaalsContact OG1-O 3.1Å; P492-M494 PolarHBondContact O-N 2.94Å | ||
| 495 | S | 88.6 | Confident | 86.8 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 58% | 0.58 | 36% | 0.364 | S | S | * | . | trans | -117.5 | 157.7 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | W470 | W470-S495 PolarHBondContact NE1-O 3.13Š| ||
| 496 | P | 93.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | trans | -64 | 139.3 | 174.1 | 23.3 | -30.3 | 0 | 0 | 0 | 111.2 | Y216 F217 W470 F498 F501 | Y216-P496 HydrophobicContact CD1-CG 3.97Å; Y216-P496 HydrophobicContact CD2-CG 4.48Å; Y216-P496 HydrophobicContact CG-CG 3.76Å; F217-P496 HydrophobicContact CE1-CB 4.24Å; F217-P496 HydrophobicContact CE1-CG 3.93Å; F217-P496 HydrophobicContact CE2-CG 4.43Å; F217-P496 HydrophobicContact CZ-CB 3.97Å; F217-P496 HydrophobicContact CZ-CG 3.72Å; W470-P496 HydrophobicContact CD2-CB 3.86Å; W470-P496 HydrophobicContact CD2-CG 4.24Å; W470-P496 HydrophobicContact CE3-CB 3.99Å; W470-P496 HydrophobicContact CE3-CG 4.4Å; W470-P496 HydrophobicContact CH2-CB 3.87Å; W470-P496 HydrophobicContact CZ2-CB 3.75Å; W470-P496 HydrophobicContact CZ3-CB 4Å; P496-F498 PolarHBondContact O-N 3.2Å; P496-F501 HydrophobicContact CB-CE2 3.73Å; P496-F501 HydrophobicContact CB-CZ 4.29Å | ||
| 497 | D | 94.4 | Very high | 88.2 | Confident | 76 Ų | 76 | 61 Ų | 61 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | trans | -77.4 | 112 | 172.8 | -174.5 | -25 | 0 | 0 | 0 | 109.6 | Y462 T499 V500 F501 | Y462-D497 WeakPolarHBondContact OH-CB 2.91Å; Y462-D497 PolarHBondContact OH-N 3.42Å; D497-T499 PolarHBondContact O-N 3.49Å; D497-T499 VanDerWaalsContact O-N 3.16Å; D497-T499 WeakPolarHBondContact OD1-CB 3.42Å; D497-T499 PolarHBondContact OD1-N 2.63Å; D497-T499 PolarHBondContact OD1-OG1 3.13Å; D497-V500 HydrophobicContact CB-CG2 3.99Å; D497-V500 WeakPolarHBondContact O-CB 3.4Å; D497-V500 PolarHBondContact O-N 3.24Å; D497-V500 VanDerWaalsContact O-N 3.1Å; D497-F501 WeakPolarHBondContact O-CD2 3.2Å | ||
| 498 | F | 95.3 | Very high | 88.9 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.4 | -35.5 | 178.8 | -179.9 | -110.4 | 0 | 0 | 0 | 113.4 | F217 E221 F224 A225 L378 P496 V500 F501 M502 | F217-F498 HydrophobicContact CD1-CB 4.39Å; F217-F498 AromaticContact CD1-CD2 3.84Å; F217-F498 HydrophobicContact CD1-CD2 3.84Å; F217-F498 HydrophobicContact CE1-CB 4.21Å; F217-F498 HydrophobicContact CE1-CD2 4.04Å; E221-F498 HydrophobicContact CB-CD2 3.87Å; E221-F498 HydrophobicContact CB-CE2 3.61Å; E221-F498 HydrophobicContact CB-CG 4.43Å; E221-F498 HydrophobicContact CB-CZ 3.97Å; E221-F498 HydrophobicContact CG-CD1 4.31Å; E221-F498 HydrophobicContact CG-CD2 4.05Å; E221-F498 HydrophobicContact CG-CE1 4.41Å; E221-F498 HydrophobicContact CG-CE2 4.16Å; E221-F498 HydrophobicContact CG-CG 4.12Å; E221-F498 HydrophobicContact CG-CZ 4.33Å; E221-F498 WeakPolarHBondContact O-CE2 3.41Å; E221-F498 VanDerWaalsContact O-CZ 3.24Å; E221-F498 WeakPolarHBondContact O-CZ 3.47Å; E221-F498 WeakPolarHBondContact OE1-CB 3.49Å; F224-F498 HydrophobicContact CB-CZ 4.44Å; F224-F498 AromaticContact CD1-CE1 3.6Å; F224-F498 HydrophobicContact CD1-CE1 3.6Å; F224-F498 AromaticContact CD1-CZ 3.69Å; F224-F498 HydrophobicContact CD1-CZ 3.69Å; F224-F498 HydrophobicContact CE1-CE1 4.09Å; F224-F498 HydrophobicContact CE1-CZ 4.49Å; F224-F498 HydrophobicContact CG-CE1 4.47Å; F224-F498 HydrophobicContact CG-CZ 4.49Å; A225-F498 HydrophobicContact CB-CE2 4.03Å; A225-F498 HydrophobicContact CB-CZ 4.06Å; L378-F498 HydrophobicContact CD2-CE2 4Å; P496-F498 PolarHBondContact O-N 3.2Å; F498-V500 VanDerWaalsContact C-N 3.28Å; F498-V500 PolarHBondContact O-N 3.01Å; F498-F501 WeakPolarHBondContact O-CB 3.49Å; F498-F501 PolarHBondContact O-N 2.02Å; F498-F501 VanDerWaalsContact O-N 3.15Å; F498-M502 HydrophobicContact CD1-CG 4.07Å; F498-M502 HydrophobicContact CD2-CE 4.47Å; F498-M502 HydrophobicContact CE1-CG 3.62Å; F498-M502 HydrophobicContact CE1-SD 4.1Å; F498-M502 HydrophobicContact CE2-CE 3.74Å; F498-M502 HydrophobicContact CE2-CG 4.4Å; F498-M502 HydrophobicContact CE2-SD 4.3Å; F498-M502 HydrophobicContact CZ-CE 3.79Å; F498-M502 HydrophobicContact CZ-CG 3.82Å; F498-M502 HydrophobicContact CZ-SD 3.72Å; F498-M502 PolarHBondContact O-N 3.34Å; F498-M502 VanDerWaalsContact O-N 3.14Å |
| 499 | T | 95.8 | Very high | 89.9 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | -178.6 | -44 | 0 | 0 | 0 | 0 | 111.5 | D497 F501 M502 I503 | D497-T499 PolarHBondContact O-N 3.49Å; D497-T499 VanDerWaalsContact O-N 3.16Å; D497-T499 WeakPolarHBondContact OD1-CB 3.42Å; D497-T499 PolarHBondContact OD1-N 2.63Å; D497-T499 PolarHBondContact OD1-OG1 3.13Å; T499-F501 VanDerWaalsContact C-N 3.29Å; T499-F501 PolarHBondContact O-N 3.1Å; T499-M502 PolarHBondContact O-N 3.1Å; T499-I503 HydrophobicContact CG2-CD1 4.05Å; T499-I503 HydrophobicContact CG2-CG1 4.48Å; T499-I503 VanDerWaalsContact O-CG1 3.31Å; T499-I503 WeakPolarHBondContact O-CG1 3.34Å; T499-I503 PolarHBondContact O-N 3.44Å |
| 500 | V | 97 | Very high | 91.2 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | C459 Y462 D497 F498 K504 | C459-V500 HydrophobicContact CB-CG1 4.03Å; Y462-V500 HydrophobicContact CD1-CB 4.09Å; Y462-V500 HydrophobicContact CD1-CG1 3.57Å; Y462-V500 HydrophobicContact CD1-CG2 4.24Å; Y462-V500 HydrophobicContact CE1-CB 4.01Å; Y462-V500 HydrophobicContact CE1-CG1 4.03Å; Y462-V500 HydrophobicContact CE1-CG2 4.01Å; Y462-V500 HydrophobicContact CG-CG1 4.08Å; D497-V500 HydrophobicContact CB-CG2 3.99Å; D497-V500 WeakPolarHBondContact O-CB 3.4Å; D497-V500 PolarHBondContact O-N 3.24Å; D497-V500 VanDerWaalsContact O-N 3.1Å; F498-V500 VanDerWaalsContact C-N 3.28Å; F498-V500 PolarHBondContact O-N 3.01Å; V500-K504 WeakPolarHBondContact O-CB 3.29Å; V500-K504 PolarHBondContact O-N 3.4Å |
| 501 | F | 96.4 | Very high | 92.4 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 175.6 | -70.7 | -101 | 0 | 0 | 0 | 111.1 | F217 L378 E463 W470 P496 D497 F498 T499 I503 K504 Y505 | F217-F501 HydrophobicContact CE1-CD2 4.38Å; F217-F501 HydrophobicContact CZ-CD1 4.43Å; F217-F501 AromaticContact CZ-CD2 3.79Å; F217-F501 HydrophobicContact CZ-CD2 3.79Å; F217-F501 HydrophobicContact CZ-CE1 4.37Å; F217-F501 AromaticContact CZ-CE2 3.75Å; F217-F501 HydrophobicContact CZ-CE2 3.75Å; F217-F501 HydrophobicContact CZ-CG 4.16Å; F217-F501 HydrophobicContact CZ-CZ 4.04Å; L378-F501 HydrophobicContact CD1-CB 4.1Å; L378-F501 HydrophobicContact CD1-CD1 3.71Å; L378-F501 HydrophobicContact CD1-CE1 4.42Å; L378-F501 HydrophobicContact CD1-CG 4Å; E463-F501 HydrophobicContact CG-CE1 4.19Å; E463-F501 HydrophobicContact CG-CE2 4.47Å; E463-F501 HydrophobicContact CG-CZ 3.82Å; W470-F501 HydrophobicContact CZ3-CZ 4.38Å; P496-F501 HydrophobicContact CB-CE2 3.73Å; P496-F501 HydrophobicContact CB-CZ 4.29Å; D497-F501 WeakPolarHBondContact O-CD2 3.2Å; F498-F501 WeakPolarHBondContact O-CB 3.49Å; F498-F501 PolarHBondContact O-N 2.02Å; F498-F501 VanDerWaalsContact O-N 3.15Å; T499-F501 VanDerWaalsContact C-N 3.29Å; T499-F501 PolarHBondContact O-N 3.1Å; F501-I503 VanDerWaalsContact C-N 3.34Å; F501-I503 PolarHBondContact O-N 2.71Å; F501-K504 WeakPolarHBondContact O-CB 3.37Å; F501-K504 PolarHBondContact O-N 3.03Å; F501-K504 VanDerWaalsContact O-N 3.16Å; F501-Y505 HydrophobicContact CB-CE2 4.21Å; F501-Y505 WeakPolarHBondContact O-CD2 3.46Å; F501-Y505 PolarHBondContact O-N 3.28Å; F501-Y505 VanDerWaalsContact O-N 3.09Å |
| 502 | M | 97.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 177.4 | -65.9 | -56.4 | 98.6 | 0 | 0 | 112.3 | F224 A225 W228 F498 T499 Y505 L506 | F224-M502 HydrophobicContact CD1-SD 4.14Å; F224-M502 HydrophobicContact CE1-CG 4.29Å; F224-M502 HydrophobicContact CE1-SD 4.14Å; A225-M502 HydrophobicContact CB-CE 3.44Å; A225-M502 VanDerWaalsContact CB-CE 3.44Å; A225-M502 HydrophobicContact CB-SD 4.04Å; W228-M502 HydrophobicContact CB-SD 4.18Å; W228-M502 HydrophobicContact CG-SD 3.97Å; W228-M502 PolarHBondContact NE1-O 3.36Å; F498-M502 HydrophobicContact CD1-CG 4.07Å; F498-M502 HydrophobicContact CD2-CE 4.47Å; F498-M502 HydrophobicContact CE1-CG 3.62Å; F498-M502 HydrophobicContact CE1-SD 4.1Å; F498-M502 HydrophobicContact CE2-CE 3.74Å; F498-M502 HydrophobicContact CE2-CG 4.4Å; F498-M502 HydrophobicContact CE2-SD 4.3Å; F498-M502 HydrophobicContact CZ-CE 3.79Å; F498-M502 HydrophobicContact CZ-CG 3.82Å; F498-M502 HydrophobicContact CZ-SD 3.72Å; F498-M502 PolarHBondContact O-N 3.34Å; F498-M502 VanDerWaalsContact O-N 3.14Å; T499-M502 PolarHBondContact O-N 3.1Å; M502-Y505 HydrophobicContact CE-CD2 3.97Å; M502-Y505 HydrophobicContact CE-CE2 4.14Å; M502-L506 VanDerWaalsContact O-CB 3.29Å; M502-L506 WeakPolarHBondContact O-CB 3.47Å; M502-L506 PolarHBondContact O-N 3.35Å |
| 503 | I | 97.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 173 | -69.1 | 168.8 | 0 | 0 | 0 | 110.3 | I455 T499 F501 Y505 L506 M507 | I455-I503 HydrophobicContact CG2-CG2 3.49Å; I455-I503 VanDerWaalsContact CG2-CG2 3.49Å; T499-I503 HydrophobicContact CG2-CD1 4.05Å; T499-I503 HydrophobicContact CG2-CG1 4.48Å; T499-I503 VanDerWaalsContact O-CG1 3.31Å; T499-I503 WeakPolarHBondContact O-CG1 3.34Å; T499-I503 PolarHBondContact O-N 3.44Å; F501-I503 VanDerWaalsContact C-N 3.34Å; F501-I503 PolarHBondContact O-N 2.71Å; I503-Y505 PolarHBondContact O-N 2.73Å; I503-L506 PolarHBondContact O-N 3.25Å; I503-M507 HydrophobicContact CG2-CG 3.94Å; I503-M507 VanDerWaalsContact O-CB 3.32Å; I503-M507 WeakPolarHBondContact O-CB 3.36Å; I503-M507 WeakPolarHBondContact O-CG 3.31Å; I503-M507 PolarHBondContact O-N 2.94Å |
| 504 | K | 97.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -51.5 | 177.9 | -177.6 | -177 | 66 | 179.9 | 0 | 111.9 | C459 Y460 E463 V500 F501 M507 T508 | C459-K504 HydrophobicContact CB-CB 3.88Å; C459-K504 HydrophobicContact CB-CD 4.28Å; C459-K504 HydrophobicContact CB-CG 4.09Å; Y460-K504 HydrophobicContact CD1-CD 4.48Å; Y460-K504 HydrophobicContact CE1-CD 4.05Å; E463-K504 WeakPolarHBondContact OE1-CD 3.44Å; E463-K504 WeakPolarHBondContact OE1-CE 3.12Å; E463-K504 IonicContact OE1-NZ 3.53Å; E463-K504 PolarHBondContact OE1-NZ 3.24Å; E463-K504 IonicContact OE2-NZ 3.49Å; V500-K504 WeakPolarHBondContact O-CB 3.29Å; V500-K504 PolarHBondContact O-N 3.4Å; F501-K504 WeakPolarHBondContact O-CB 3.37Å; F501-K504 PolarHBondContact O-N 3.03Å; F501-K504 VanDerWaalsContact O-N 3.16Å; K504-M507 PolarHBondContact O-N 3.2Å; K504-T508 WeakPolarHBondContact O-CB 3.31Å; K504-T508 PolarHBondContact O-N 3.24Å; K504-T508 PolarHBondContact O-OG1 3.29Å |
| 505 | Y | 97.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | -179.6 | -60.6 | -67.7 | 0 | 0 | 0 | 112 | I229 Y275 D376 F501 M502 I503 M507 T508 L509 | I229-Y505 HydrophobicContact CD1-CD1 4.01Å; I229-Y505 HydrophobicContact CD1-CD2 3.54Å; I229-Y505 HydrophobicContact CD1-CE1 4.22Å; I229-Y505 HydrophobicContact CD1-CE2 3.79Å; I229-Y505 HydrophobicContact CD1-CG 3.69Å; I229-Y505 HydrophobicContact CG1-CD1 4.37Å; I229-Y505 HydrophobicContact CG1-CD2 3.92Å; I229-Y505 HydrophobicContact CG1-CG 3.79Å; Y275-Y505 HydrophobicContact CE1-CD1 4.2Å; Y275-Y505 HydrophobicContact CE1-CE1 4.34Å; D376-Y505 PolarHBondContact OD2-OH 3.49Å; F501-Y505 HydrophobicContact CB-CE2 4.21Å; F501-Y505 WeakPolarHBondContact O-CD2 3.46Å; F501-Y505 PolarHBondContact O-N 3.28Å; F501-Y505 VanDerWaalsContact O-N 3.09Å; M502-Y505 HydrophobicContact CE-CD2 3.97Å; M502-Y505 HydrophobicContact CE-CE2 4.14Å; I503-Y505 PolarHBondContact O-N 2.73Å; Y505-M507 PolarHBondContact O-N 3.3Å; Y505-T508 WeakPolarHBondContact O-CB 3Å; Y505-T508 PolarHBondContact O-N 3.35Å; Y505-L509 PolarHBondContact O-N 3.06Å |
| 506 | L | 97.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 25 Ų | 25 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.8 | -52.1 | 174.5 | 172.8 | 64.3 | 0 | 0 | 0 | 111 | W228 W232 M502 I503 T508 L509 I510 | W228-L506 HydrophobicContact CZ2-CB 4.33Å; W228-L506 HydrophobicContact CZ2-CD1 4.38Å; W228-L506 HydrophobicContact CZ2-CD2 4.15Å; W232-L506 HydrophobicContact CD2-CD1 3.51Å; W232-L506 HydrophobicContact CE3-CD1 3.85Å; W232-L506 HydrophobicContact CG-CD1 4.05Å; W232-L506 HydrophobicContact CH2-CD1 3.88Å; W232-L506 HydrophobicContact CZ2-CD1 3.54Å; W232-L506 HydrophobicContact CZ3-CD1 4.03Å; M502-L506 VanDerWaalsContact O-CB 3.29Å; M502-L506 WeakPolarHBondContact O-CB 3.47Å; M502-L506 PolarHBondContact O-N 3.35Å; I503-L506 PolarHBondContact O-N 3.25Å; L506-T508 VanDerWaalsContact C-N 3.26Å; L506-T508 PolarHBondContact O-N 2.82Å; L506-L509 PolarHBondContact O-N 3.06Å; L506-L509 VanDerWaalsContact O-N 3.13Å; L506-I510 WeakPolarHBondContact O-CB 3.48Å; L506-I510 PolarHBondContact O-N 3.3Å |
| 507 | M | 97.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 17% | 0.172 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68 | -28 | -177.7 | -66.3 | -62.1 | 149.9 | 0 | 0 | 112.1 | P452 I455 V456 I503 K504 Y505 I510 | P452-M507 HydrophobicContact CB-CB 4.11Å; P452-M507 VanDerWaalsContact CB-O 3.3Å; P452-M507 WeakPolarHBondContact CB-O 3.49Å; P452-M507 HydrophobicContact CB-SD 4.22Å; P452-M507 HydrophobicContact CG-SD 4.44Å; I455-M507 HydrophobicContact CB-CB 4.49Å; I455-M507 HydrophobicContact CB-CG 4.05Å; I455-M507 HydrophobicContact CD1-CE 4.32Å; I455-M507 HydrophobicContact CD1-CG 4.17Å; I455-M507 HydrophobicContact CD1-SD 3.76Å; I455-M507 HydrophobicContact CG2-CB 4.4Å; I455-M507 HydrophobicContact CG2-CG 3.73Å; V456-M507 HydrophobicContact CG2-CB 3.74Å; I503-M507 HydrophobicContact CG2-CG 3.94Å; I503-M507 VanDerWaalsContact O-CB 3.32Å; I503-M507 WeakPolarHBondContact O-CB 3.36Å; I503-M507 WeakPolarHBondContact O-CG 3.31Å; I503-M507 PolarHBondContact O-N 2.94Å; K504-M507 PolarHBondContact O-N 3.2Å; Y505-M507 PolarHBondContact O-N 3.3Å; M507-I510 HydrophobicContact SD-CG2 4.22Å |
| 508 | T | 96.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 13% | 0.129 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 170.8 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | Y268 K504 Y505 L506 | Y268-T508 WeakPolarHBondContact CE1-O 3.41Å; K504-T508 WeakPolarHBondContact O-CB 3.31Å; K504-T508 PolarHBondContact O-N 3.24Å; K504-T508 PolarHBondContact O-OG1 3.29Å; Y505-T508 WeakPolarHBondContact O-CB 3Å; Y505-T508 PolarHBondContact O-N 3.35Å; L506-T508 VanDerWaalsContact C-N 3.26Å; L506-T508 PolarHBondContact O-N 2.82Å |
| 509 | L | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -85.2 | -29.8 | -173.9 | -69.4 | 168.6 | 0 | 0 | 0 | 114.2 | W232 C236 V271 Y275 Y505 L506 V511 G512 I513 | W232-L509 HydrophobicContact CB-CB 4.34Å; W232-L509 HydrophobicContact CB-CD1 3.69Å; C236-L509 HydrophobicContact CB-CB 4.38Å; C236-L509 HydrophobicContact CB-CD2 4.17Å; C236-L509 PolarHBondContact SG-O 2.97Å; C236-L509 VanDerWaalsContact SG-O 3.36Å; V271-L509 HydrophobicContact CG1-CD2 4.47Å; Y275-L509 HydrophobicContact CD2-CD2 3.95Å; Y275-L509 HydrophobicContact CE2-CD2 4.32Å; Y505-L509 PolarHBondContact O-N 3.06Å; L506-L509 PolarHBondContact O-N 3.06Å; L506-L509 VanDerWaalsContact O-N 3.13Å; L509-V511 PolarHBondContact O-N 2.9Å; L509-V511 VanDerWaalsContact O-N 3.15Å; L509-G512 PolarHBondContact O-N 3.25Å; L509-G512 VanDerWaalsContact O-N 3.09Å; L509-I513 PolarHBondContact O-N 2.04Å |
| 510 | I | 95.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 29 Ų | 29 | 25% | 0.246 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -30.6 | -176.3 | -160.2 | 168.5 | 0 | 0 | 0 | 112.3 | P452 L506 M507 G512 I513 T514 | P452-I510 HydrophobicContact CB-CG2 3.9Å; P452-I510 HydrophobicContact CG-CG2 3.65Å; L506-I510 WeakPolarHBondContact O-CB 3.48Å; L506-I510 PolarHBondContact O-N 3.3Å; M507-I510 HydrophobicContact SD-CG2 4.22Å; I510-G512 VanDerWaalsContact C-N 3.35Å; I510-G512 PolarHBondContact O-N 2.92Å; I510-I513 WeakPolarHBondContact O-CB 3.28Å; I510-I513 PolarHBondContact O-N 2.97Å; I510-I513 VanDerWaalsContact O-N 3.13Å; I510-T514 HydrophobicContact CG1-CG2 4.44Å; I510-T514 WeakPolarHBondContact O-CG2 3.5Å; I510-T514 PolarHBondContact O-N 3.24Å; I510-T514 PolarHBondContact O-OG1 3.06Å |
| 511 | V | 92.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L264 Y268 Y449 P452 L509 I513 T514 S515 | L264-V511 HydrophobicContact CD2-CG1 4.27Å; Y268-V511 HydrophobicContact CD2-CG1 4.18Å; Y268-V511 HydrophobicContact CE1-CB 4.18Å; Y268-V511 HydrophobicContact CE1-CG1 4.44Å; Y268-V511 HydrophobicContact CE2-CB 3.94Å; Y268-V511 HydrophobicContact CE2-CG1 3.32Å; Y268-V511 VanDerWaalsContact CZ-CG1 3.47Å; Y268-V511 WeakPolarHBondContact OH-CB 3.38Å; Y268-V511 WeakPolarHBondContact OH-CG1 3.37Å; Y449-V511 HydrophobicContact CD2-CB 4.38Å; Y449-V511 HydrophobicContact CD2-CG1 3.24Å; Y449-V511 HydrophobicContact CD2-CG2 4.24Å; Y449-V511 HydrophobicContact CE2-CB 4.4Å; Y449-V511 HydrophobicContact CE2-CG1 3.28Å; Y449-V511 HydrophobicContact CE2-CG2 4.32Å; Y449-V511 HydrophobicContact CG-CG1 4.33Å; P452-V511 HydrophobicContact CB-CG2 3.67Å; P452-V511 HydrophobicContact CG-CG2 3.99Å; L509-V511 PolarHBondContact O-N 2.9Å; L509-V511 VanDerWaalsContact O-N 3.15Å; V511-I513 VanDerWaalsContact C-N 3.3Å; V511-I513 PolarHBondContact O-N 3.42Å; V511-T514 PolarHBondContact O-N 3.35Å; V511-T514 PolarHBondContact O-OG1 2.83Å; V511-S515 PolarHBondContact O-N 3.02Å |
| 512 | G | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T240 L509 I510 T514 S515 | T240-G512 VanDerWaalsContact CG2-O 3.25Å; T240-G512 WeakPolarHBondContact CG2-O 3.43Å; L509-G512 PolarHBondContact O-N 3.25Å; L509-G512 VanDerWaalsContact O-N 3.09Å; I510-G512 VanDerWaalsContact C-N 3.35Å; I510-G512 PolarHBondContact O-N 2.92Å; G512-T514 PolarHBondContact O-N 3.41Å; G512-S515 WeakPolarHBondContact O-CB 3.49Å; G512-S515 PolarHBondContact O-N 2.93Å; G512-S515 PolarHBondContact O-OG 3.19Å |
| 513 | I | 93 | Very high | 88.5 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 176.5 | -62.3 | 172.8 | 0 | 0 | 0 | 111.3 | W232 L235 C236 S239 L509 I510 V511 S515 G516 F517 | W232-I513 HydrophobicContact CE3-CD1 3.48Å; W232-I513 VanDerWaalsContact CE3-CD1 3.48Å; W232-I513 HydrophobicContact CZ3-CD1 3.79Å; L235-I513 HydrophobicContact CB-CD1 3.97Å; L235-I513 HydrophobicContact CB-CG1 4.47Å; C236-I513 HydrophobicContact CB-CD1 4.38Å; C236-I513 HydrophobicContact CB-CG1 3.84Å; S239-I513 PolarHBondContact OG-O 2.92Å; L509-I513 PolarHBondContact O-N 2.04Å; I510-I513 WeakPolarHBondContact O-CB 3.28Å; I510-I513 PolarHBondContact O-N 2.97Å; I510-I513 VanDerWaalsContact O-N 3.13Å; V511-I513 VanDerWaalsContact C-N 3.3Å; V511-I513 PolarHBondContact O-N 3.42Å; I513-S515 PolarHBondContact O-N 3.17Å; I513-G516 PolarHBondContact O-N 2.87Å; I513-F517 HydrophobicContact CG2-CE2 3.94Å; I513-F517 WeakPolarHBondContact O-CD2 3.49Å |
| 514 | T | 89.9 | Confident | 87.7 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 22% | 0.221 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -28.2 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | I510 V511 G512 G516 F517 | I510-T514 HydrophobicContact CG1-CG2 4.44Å; I510-T514 WeakPolarHBondContact O-CG2 3.5Å; I510-T514 PolarHBondContact O-N 3.24Å; I510-T514 PolarHBondContact O-OG1 3.06Å; V511-T514 PolarHBondContact O-N 3.35Å; V511-T514 PolarHBondContact O-OG1 2.83Å; G512-T514 PolarHBondContact O-N 3.41Å; T514-G516 VanDerWaalsContact C-N 3.31Å; T514-G516 PolarHBondContact O-N 3.08Å; T514-F517 PolarHBondContact O-N 3.27Å |
| 515 | S | 84.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -30.1 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | S265 V511 G512 I513 W518 | S265-S515 VanDerWaalsContact OG-CB 3.24Å; S265-S515 WeakPolarHBondContact OG-CB 3.28Å; S265-S515 PolarHBondContact OG-OG 3.46Å; V511-S515 PolarHBondContact O-N 3.02Å; G512-S515 WeakPolarHBondContact O-CB 3.49Å; G512-S515 PolarHBondContact O-N 2.93Å; G512-S515 PolarHBondContact O-OG 3.19Å; I513-S515 PolarHBondContact O-N 3.17Å; S515-W518 WeakPolarHBondContact O-CB 3.25Å; S515-W518 PolarHBondContact O-N 3.33Å |
| 516 | G | 80.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.3 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S239 T243 I513 T514 W518 I519 W520 | S239-G516 VanDerWaalsContact OG-CA 3.27Å; S239-G516 WeakPolarHBondContact OG-CA 3.39Å; S239-G516 PolarHBondContact OG-N 2.04Å; T243-G516 WeakPolarHBondContact OG1-CA 3.44Å; I513-G516 PolarHBondContact O-N 2.87Å; T514-G516 VanDerWaalsContact C-N 3.31Å; T514-G516 PolarHBondContact O-N 3.08Å; G516-W518 PolarHBondContact O-N 3.42Å; G516-W518 VanDerWaalsContact O-N 3.15Å; G516-I519 PolarHBondContact O-N 3.16Å; G516-W520 PolarHBondContact O-N 2.95Å; G516-W520 PolarHBondContact O-NE1 3.19Å |
| 517 | F | 80.5 | Confident | 85.4 | Confident | 116 Ų | 116 | 43.9 Ų | 43.9 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -26.5 | 175.3 | -71.9 | -75 | 0 | 0 | 0 | 112.5 | I513 T514 I519 W520 | I513-F517 HydrophobicContact CG2-CE2 3.94Å; I513-F517 WeakPolarHBondContact O-CD2 3.49Å; T514-F517 PolarHBondContact O-N 3.27Å; F517-I519 VanDerWaalsContact C-N 3.29Å; F517-I519 PolarHBondContact O-N 3.03Å; F517-W520 HydrophobicContact CD1-CD2 4.25Å; F517-W520 AromaticContact CD1-CE3 3.68Å; F517-W520 HydrophobicContact CD1-CE3 3.68Å; F517-W520 HydrophobicContact CD1-CH2 4.12Å; F517-W520 AromaticContact CD1-CZ3 3.62Å; F517-W520 HydrophobicContact CD1-CZ3 3.62Å; F517-W520 AromaticContact CE1-CE3 3.97Å; F517-W520 HydrophobicContact CE1-CE3 3.97Å; F517-W520 AromaticContact CE1-CH2 3.72Å; F517-W520 HydrophobicContact CE1-CH2 3.72Å; F517-W520 AromaticContact CE1-CZ3 3.38Å; F517-W520 HydrophobicContact CE1-CZ3 3.38Å; F517-W520 HydrophobicContact CZ-CH2 4.36Å; F517-W520 HydrophobicContact CZ-CZ3 4.41Å; F517-W520 PolarHBondContact O-N 3.27Å |
| 518 | W | 77.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -39 | 174.9 | -177.2 | -102.9 | 0 | 0 | 0 | 112.9 | I261 R441 I442 F445 S515 G516 | I261-W518 HydrophobicContact CD1-CD2 3.99Å; I261-W518 HydrophobicContact CD1-CG 4.13Å; I261-W518 HydrophobicContact CD1-CZ2 4.19Å; R441-W518 VanDerWaalsContact C-CZ3 3.49Å; R441-W518 HydrophobicContact CB-CH2 3.56Å; R441-W518 HydrophobicContact CB-CZ3 3.93Å; R441-W518 HydrophobicContact CG-CE3 4.32Å; R441-W518 HydrophobicContact CG-CH2 3.4Å; R441-W518 VanDerWaalsContact CG-CH2 3.4Å; R441-W518 HydrophobicContact CG-CZ2 4.41Å; R441-W518 HydrophobicContact CG-CZ3 3.36Å; R441-W518 PolarHBondContact NH1-O 2.82Å; R441-W518 PolarHBondContact NH2-O 2.8Å; R441-W518 VanDerWaalsContact O-CZ3 3.23Å; R441-W518 WeakPolarHBondContact O-CZ3 3.22Å; I442-W518 HydrophobicContact CB-CH2 4.23Å; I442-W518 HydrophobicContact CG1-CH2 3.6Å; I442-W518 HydrophobicContact CG1-CZ2 3.67Å; F445-W518 HydrophobicContact CB-CE3 3.84Å; F445-W518 HydrophobicContact CB-CZ3 3.67Å; F445-W518 HydrophobicContact CD2-CE3 4.09Å; F445-W518 HydrophobicContact CG-CE3 4.01Å; F445-W518 HydrophobicContact CG-CZ3 4.31Å; S515-W518 WeakPolarHBondContact O-CB 3.25Å; S515-W518 PolarHBondContact O-N 3.33Å; G516-W518 PolarHBondContact O-N 3.42Å; G516-W518 VanDerWaalsContact O-N 3.15Å |
| 519 | I | 79.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -86.6 | -18.1 | -172.1 | -66.3 | -174 | 0 | 0 | 0 | 111.6 | T243 T246 F254 G516 F517 S521 T524 | T243-I519 HydrophobicContact CG2-CD1 3.16Å; T243-I519 HydrophobicContact CG2-CG1 4.31Å; T246-I519 HydrophobicContact CG2-CG2 3.59Å; F254-I519 HydrophobicContact CE1-CD1 4.01Å; F254-I519 HydrophobicContact CE1-CG1 4.07Å; F254-I519 HydrophobicContact CZ-CD1 3.93Å; F254-I519 HydrophobicContact CZ-CG1 4.21Å; F254-I519 HydrophobicContact CZ-CG2 4.22Å; G516-I519 PolarHBondContact O-N 3.16Å; F517-I519 VanDerWaalsContact C-N 3.29Å; F517-I519 PolarHBondContact O-N 3.03Å; I519-S521 PolarHBondContact O-N 3.36Å; I519-S521 PolarHBondContact O-OG 3.03Å; I519-T524 HydrophobicContact CG2-CG2 4.02Å; I519-T524 WeakPolarHBondContact CG2-OG1 2.88Å; I519-T524 WeakPolarHBondContact O-CB 3.37Å; I519-T524 PolarHBondContact O-OG1 3.04Å |
| 520 | W | 78.9 | Confident | 83.5 | Confident | 145 Ų | 145 | 59.9 Ų | 59.9 | 55% | 0.549 | 28% | 0.282 | S | S | . | . | trans | -63.4 | 108.2 | 178.6 | -67.3 | 10.6 | 0 | 0 | 0 | 110.6 | F242 G516 F517 | F242-W520 AromaticContact CD1-NE1 3.9Å; F242-W520 AromaticContact CE1-CD1 3.81Å; F242-W520 AromaticContact CE1-NE1 3.75Å; G516-W520 PolarHBondContact O-N 2.95Å; G516-W520 PolarHBondContact O-NE1 3.19Å; F517-W520 HydrophobicContact CD1-CD2 4.25Å; F517-W520 AromaticContact CD1-CE3 3.68Å; F517-W520 HydrophobicContact CD1-CE3 3.68Å; F517-W520 HydrophobicContact CD1-CH2 4.12Å; F517-W520 AromaticContact CD1-CZ3 3.62Å; F517-W520 HydrophobicContact CD1-CZ3 3.62Å; F517-W520 AromaticContact CE1-CE3 3.97Å; F517-W520 HydrophobicContact CE1-CE3 3.97Å; F517-W520 AromaticContact CE1-CH2 3.72Å; F517-W520 HydrophobicContact CE1-CH2 3.72Å; F517-W520 AromaticContact CE1-CZ3 3.38Å; F517-W520 HydrophobicContact CE1-CZ3 3.38Å; F517-W520 HydrophobicContact CZ-CH2 4.36Å; F517-W520 HydrophobicContact CZ-CZ3 4.41Å; F517-W520 PolarHBondContact O-N 3.27Å | ||
| 521 | S | 78.9 | Confident | 82.9 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -162 | 159.1 | -179.8 | 58 | 0 | 0 | 0 | 0 | 109.3 | R253 I519 K523 T524 L525 | R253-S521 PolarHBondContact NH2-OG 3.39Å; I519-S521 PolarHBondContact O-N 3.36Å; I519-S521 PolarHBondContact O-OG 3.03Å; S521-K523 PolarHBondContact O-N 2.6Å; S521-K523 VanDerWaalsContact O-N 3.1Å; S521-T524 WeakPolarHBondContact O-CB 3.41Å; S521-T524 PolarHBondContact O-N 3.19Å; S521-T524 PolarHBondContact OG-OG1 3.27Å; S521-L525 PolarHBondContact O-N 3.29Å |
| 522 | G | 75.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.4 | -27.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | T524 L525 N526 | G522-T524 VanDerWaalsContact C-N 3.32Å; G522-T524 PolarHBondContact O-N 3.07Å; G522-L525 PolarHBondContact O-N 2.98Å; G522-N526 PolarHBondContact O-N 3.24Å; G522-N526 PolarHBondContact O-ND2 3Å |
| 523 | K | 77.5 | Confident | 82 | Confident | 152 Ų | 152 | 71.3 Ų | 71.3 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 173.8 | -65.6 | -175.6 | -177.6 | 178.9 | 0 | 112.1 | S521 N526 S527 | S521-K523 PolarHBondContact O-N 2.6Å; S521-K523 VanDerWaalsContact O-N 3.1Å; K523-N526 PolarHBondContact O-N 3.15Å; K523-S527 PolarHBondContact O-N 3.16Å; K523-S527 PolarHBondContact O-OG 3.23Å |
| 524 | T | 80.8 | Confident | 81.5 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | F242 T246 R253 I519 S521 G522 N526 S527 W528 | F242-T524 HydrophobicContact CE1-CG2 4.16Å; F242-T524 HydrophobicContact CZ-CG2 3.83Å; T246-T524 HydrophobicContact CG2-CG2 3.8Å; R253-T524 VanDerWaalsContact NH1-CA 3.26Å; R253-T524 PolarHBondContact NH1-OG1 2.91Å; R253-T524 PolarHBondContact NH2-OG1 3.15Å; I519-T524 HydrophobicContact CG2-CG2 4.02Å; I519-T524 WeakPolarHBondContact CG2-OG1 2.88Å; I519-T524 WeakPolarHBondContact O-CB 3.37Å; I519-T524 PolarHBondContact O-OG1 3.04Å; S521-T524 WeakPolarHBondContact O-CB 3.41Å; S521-T524 PolarHBondContact O-N 3.19Å; S521-T524 PolarHBondContact OG-OG1 3.27Å; G522-T524 VanDerWaalsContact C-N 3.32Å; G522-T524 PolarHBondContact O-N 3.07Å; T524-N526 PolarHBondContact O-N 3.22Å; T524-S527 PolarHBondContact O-N 2.89Å; T524-W528 VanDerWaalsContact O-CD1 3.25Å; T524-W528 PolarHBondContact O-N 3.45Å |
| 525 | L | 81 | Confident | 81.1 | Confident | 129 Ų | 129 | 81.2 Ų | 81.2 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.1 | -41.1 | 173.6 | -72.7 | 167.4 | 0 | 0 | 0 | 111.8 | S521 G522 R529 | S521-L525 PolarHBondContact O-N 3.29Å; G522-L525 PolarHBondContact O-N 2.98Å; L525-R529 VanDerWaalsContact O-CB 3.26Å; L525-R529 WeakPolarHBondContact O-CB 3.31Å; L525-R529 PolarHBondContact O-N 3.17Å |
| 526 | N | 82.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 83.7 Ų | 83.7 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 177.3 | -72.2 | -18.8 | 0 | 0 | 0 | 113.3 | G522 K523 T524 R529 R530 | G522-N526 PolarHBondContact O-N 3.24Å; G522-N526 PolarHBondContact O-ND2 3Å; K523-N526 PolarHBondContact O-N 3.15Å; T524-N526 PolarHBondContact O-N 3.22Å; N526-R529 PolarHBondContact O-N 3.02Å; N526-R530 WeakPolarHBondContact O-CG 3.22Å; N526-R530 PolarHBondContact O-N 3.27Å |
| 527 | S | 80.8 | Confident | 80.6 | Confident | 13 Ų | 13 | 88.5 Ų | 88.5 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 175.3 | -62.9 | 0 | 0 | 0 | 0 | 111 | D250 K523 T524 R530 F531 | D250-S527 PolarHBondContact OD2-OG 2.89Å; K523-S527 PolarHBondContact O-N 3.16Å; K523-S527 PolarHBondContact O-OG 3.23Å; T524-S527 PolarHBondContact O-N 2.89Å; S527-R530 PolarHBondContact O-N 3.1Å; S527-F531 WeakPolarHBondContact O-CB 3.47Å; S527-F531 PolarHBondContact O-N 3.13Å |
| 528 | W | 85.1 | Confident | 79.8 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.6 | -79.9 | 97.9 | 0 | 0 | 0 | 112.4 | F242 L245 T246 T524 R530 F531 Y532 | F242-W528 HydrophobicContact CD2-CZ2 4.15Å; F242-W528 AromaticContact CE2-CE2 3.77Å; F242-W528 AromaticContact CE2-CZ2 3.9Å; F242-W528 HydrophobicContact CE2-CZ2 3.9Å; F242-W528 AromaticContact CE2-NE1 3.55Å; F242-W528 AromaticContact CZ-NE1 3.71Å; L245-W528 HydrophobicContact CB-CH2 4.15Å; L245-W528 HydrophobicContact CB-CZ2 4.05Å; T246-W528 PolarHBondContact OG1-NE1 2.98Å; T524-W528 VanDerWaalsContact O-CD1 3.25Å; T524-W528 PolarHBondContact O-N 3.45Å; W528-R530 PolarHBondContact O-N 3.11Å; W528-F531 HydrophobicContact CE3-CD1 4.33Å; W528-F531 HydrophobicContact CZ3-CD1 4.41Å; W528-F531 WeakPolarHBondContact O-CB 3.42Å; W528-F531 PolarHBondContact O-N 3.22Å; W528-Y532 HydrophobicContact CE3-CD2 4.42Å; W528-Y532 AromaticContact CE3-CE2 3.71Å; W528-Y532 HydrophobicContact CE3-CE2 3.71Å; W528-Y532 HydrophobicContact CZ3-CE2 4.38Å; W528-Y532 WeakPolarHBondContact O-CD2 3.39Å; W528-Y532 PolarHBondContact O-N 3.37Å |
| 529 | R | 84.3 | Confident | 78.7 | Confident | 182 Ų | 182 | 93.5 Ų | 93.5 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.9 | -47.4 | 174.8 | -173.6 | 176.8 | -178.2 | 173.4 | 1.8 | 111.3 | L525 N526 F531 Y532 T533 | L525-R529 VanDerWaalsContact O-CB 3.26Å; L525-R529 WeakPolarHBondContact O-CB 3.31Å; L525-R529 PolarHBondContact O-N 3.17Å; N526-R529 PolarHBondContact O-N 3.02Å; R529-F531 VanDerWaalsContact C-N 3.31Å; R529-F531 PolarHBondContact O-N 3.41Å; R529-Y532 PolarHBondContact O-N 2.95Å; R529-T533 WeakPolarHBondContact O-CB 3.45Å; R529-T533 PolarHBondContact O-N 3.36Å; R529-T533 PolarHBondContact O-OG1 2.93Å |
| 530 | R | 81.6 | Confident | 77.4 | Confident | 168 Ų | 168 | 99.9 Ų | 99.9 | 63% | 0.634 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61 | -40 | 176.6 | -73.1 | 176.3 | -172.3 | 176.8 | 1.5 | 112.2 | N526 S527 W528 R534 | N526-R530 WeakPolarHBondContact O-CG 3.22Å; N526-R530 PolarHBondContact O-N 3.27Å; S527-R530 PolarHBondContact O-N 3.1Å; W528-R530 PolarHBondContact O-N 3.11Å; R530-R534 WeakPolarHBondContact O-CG 3.35Å; R530-R534 PolarHBondContact O-N 2.88Å |
| 531 | F | 83.7 | Confident | 76.1 | Confident | 81 Ų | 81 | 95.3 Ų | 95.3 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 176.6 | 180 | -107.2 | 0 | 0 | 0 | 111.8 | V249 S527 W528 R529 T533 R534 L535 | V249-F531 HydrophobicContact CG1-CB 3.9Å; V249-F531 HydrophobicContact CG1-CD2 4.24Å; V249-F531 HydrophobicContact CG1-CG 4.16Å; V249-F531 HydrophobicContact CG2-CD1 4.48Å; V249-F531 HydrophobicContact CG2-CD2 4.31Å; V249-F531 HydrophobicContact CG2-CG 4.29Å; S527-F531 WeakPolarHBondContact O-CB 3.47Å; S527-F531 PolarHBondContact O-N 3.13Å; W528-F531 HydrophobicContact CE3-CD1 4.33Å; W528-F531 HydrophobicContact CZ3-CD1 4.41Å; W528-F531 WeakPolarHBondContact O-CB 3.42Å; W528-F531 PolarHBondContact O-N 3.22Å; R529-F531 VanDerWaalsContact C-N 3.31Å; R529-F531 PolarHBondContact O-N 3.41Å; F531-T533 PolarHBondContact O-N 2.87Å; F531-R534 PolarHBondContact O-N 3.23Å; F531-L535 HydrophobicContact CD1-CD1 3.72Å; F531-L535 HydrophobicContact CE1-CD1 3.22Å; F531-L535 HydrophobicContact CE1-CG 4.44Å; F531-L535 HydrophobicContact CE2-CD1 4.1Å; F531-L535 HydrophobicContact CG-CD1 4.35Å; F531-L535 HydrophobicContact CZ-CD1 3.44Å; F531-L535 VanDerWaalsContact CZ-CD1 3.44Å; F531-L535 HydrophobicContact CZ-CG 4.33Å; F531-L535 PolarHBondContact O-N 3.19Å |
| 532 | Y | 84.6 | Confident | 74.7 | Confident | 143 Ų | 143 | 101.2 Ų | 101.2 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 176.1 | -79.2 | -65.6 | 0 | 0 | 0 | 112.6 | W528 R529 R534 L535 A536 | W528-Y532 HydrophobicContact CE3-CD2 4.42Å; W528-Y532 AromaticContact CE3-CE2 3.71Å; W528-Y532 HydrophobicContact CE3-CE2 3.71Å; W528-Y532 HydrophobicContact CZ3-CE2 4.38Å; W528-Y532 WeakPolarHBondContact O-CD2 3.39Å; W528-Y532 PolarHBondContact O-N 3.37Å; R529-Y532 PolarHBondContact O-N 2.95Å; Y532-R534 VanDerWaalsContact C-N 3.34Å; Y532-R534 PolarHBondContact O-N 3.3Å; Y532-L535 PolarHBondContact O-N 2.77Å; Y532-A536 WeakPolarHBondContact O-CB 3.41Å; Y532-A536 PolarHBondContact O-N 3.11Å |
| 533 | T | 82.4 | Confident | 73.2 | Confident | 68 Ų | 68 | 104.4 Ų | 104.4 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | R529 F531 N537 | R529-T533 WeakPolarHBondContact O-CB 3.45Å; R529-T533 PolarHBondContact O-N 3.36Å; R529-T533 PolarHBondContact O-OG1 2.93Å; F531-T533 PolarHBondContact O-N 2.87Å; T533-N537 WeakPolarHBondContact O-CB 3.46Å; T533-N537 PolarHBondContact O-N 3.27Å; T533-N537 PolarHBondContact O-OD1 3.33Å |
| 534 | R | 82.2 | Confident | 71.7 | Confident | 190 Ų | 190 | 102.1 Ų | 102.1 | 72% | 0.717 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 175 | -75.7 | 177.6 | -179.4 | -177.3 | -0.8 | 112.4 | R530 F531 Y532 N537 S538 | R530-R534 WeakPolarHBondContact O-CG 3.35Å; R530-R534 PolarHBondContact O-N 2.88Å; F531-R534 PolarHBondContact O-N 3.23Å; Y532-R534 VanDerWaalsContact C-N 3.34Å; Y532-R534 PolarHBondContact O-N 3.3Å; R534-N537 PolarHBondContact O-N 3.25Å; R534-S538 VanDerWaalsContact O-CB 3.28Å; R534-S538 WeakPolarHBondContact O-CB 3.17Å; R534-S538 PolarHBondContact O-N 3.29Å |
| 535 | L | 81.3 | Confident | 69.7 | Low | 78 Ų | 78 | 111.7 Ų | 111.7 | 41% | 0.408 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -42.9 | 175.6 | -88 | 161.4 | 0 | 0 | 0 | 112.4 | F531 Y532 S538 K539 | F531-L535 HydrophobicContact CD1-CD1 3.72Å; F531-L535 HydrophobicContact CE1-CD1 3.22Å; F531-L535 HydrophobicContact CE1-CG 4.44Å; F531-L535 HydrophobicContact CE2-CD1 4.1Å; F531-L535 HydrophobicContact CG-CD1 4.35Å; F531-L535 HydrophobicContact CZ-CD1 3.44Å; F531-L535 VanDerWaalsContact CZ-CD1 3.44Å; F531-L535 HydrophobicContact CZ-CG 4.33Å; F531-L535 PolarHBondContact O-N 3.19Å; Y532-L535 PolarHBondContact O-N 2.77Å; L535-S538 PolarHBondContact O-N 3.13Å; L535-K539 PolarHBondContact O-N 3.04Å; L535-K539 VanDerWaalsContact O-N 3.13Å |
| 536 | A | 79.6 | Confident | 69.2 | Low | 52 Ų | 52 | 110.8 Ų | 110.8 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y532 K539 Q540 | Y532-A536 WeakPolarHBondContact O-CB 3.41Å; Y532-A536 PolarHBondContact O-N 3.11Å; A536-K539 PolarHBondContact O-N 3.28Å; A536-Q540 PolarHBondContact O-N 3.5Å |
| 537 | N | 74.9 | Confident | 68.5 | Low | 101 Ų | 101 | 112 Ų | 112 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.2 | -32.6 | 178.4 | -67.8 | -5.4 | 0 | 0 | 0 | 112.7 | T533 R534 K539 Q540 G541 | T533-N537 WeakPolarHBondContact O-CB 3.46Å; T533-N537 PolarHBondContact O-N 3.27Å; T533-N537 PolarHBondContact O-OD1 3.33Å; R534-N537 PolarHBondContact O-N 3.25Å; N537-K539 VanDerWaalsContact C-N 3.34Å; N537-Q540 PolarHBondContact O-N 3.31Å; N537-G541 PolarHBondContact O-N 2.83Å |
| 538 | S | 62.3 | Low | 67.8 | Low | 80 Ų | 80 | 117.5 Ų | 117.5 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65 | -37.9 | 174.7 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | R534 L535 Q540 G541 | R534-S538 VanDerWaalsContact O-CB 3.28Å; R534-S538 WeakPolarHBondContact O-CB 3.17Å; R534-S538 PolarHBondContact O-N 3.29Å; L535-S538 PolarHBondContact O-N 3.13Å; S538-Q540 VanDerWaalsContact C-N 3.28Å; S538-Q540 PolarHBondContact O-N 3.24Å; S538-G541 PolarHBondContact O-N 3.09Å |
| 539 | K | 55.7 | Low | 66.8 | Low | 156 Ų | 156 | 122 Ų | 122 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -27.3 | 174.3 | -76.3 | -172.9 | 174.3 | -170.9 | 0 | 113.2 | L535 A536 N537 T543 | L535-K539 PolarHBondContact O-N 3.04Å; L535-K539 VanDerWaalsContact O-N 3.13Å; A536-K539 PolarHBondContact O-N 3.28Å; N537-K539 VanDerWaalsContact C-N 3.34Å; K539-T543 PolarHBondContact O-OG1 2.79Å |
| 540 | Q | 52.6 | Low | 65.7 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.7 | -23.2 | 177 | -109 | 150.5 | -14.3 | 0 | 0 | 113.7 | A536 N537 S538 T543 | A536-Q540 PolarHBondContact O-N 3.5Å; N537-Q540 PolarHBondContact O-N 3.31Å; S538-Q540 VanDerWaalsContact C-N 3.28Å; S538-Q540 PolarHBondContact O-N 3.24Å; Q540-T543 PolarHBondContact O-OG1 3.37Å |
| 541 | G | 50.5 | Low | 64.6 | Low | 49 Ų | 49 | 114.9 Ų | 114.9 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -81.6 | -16.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N537 S538 | N537-G541 PolarHBondContact O-N 2.83Å; S538-G541 PolarHBondContact O-N 3.09Å |
| 542 | E | 49 | Very low | 63.3 | Low | 166 Ų | 166 | 117.4 Ų | 117.4 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -92.1 | -14.5 | 179.9 | -125.7 | 171.2 | -177.2 | 0 | 0 | 113.1 | ||
| 543 | T | 46.4 | Very low | 61.6 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -95.2 | 8 | 174.6 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | K539 Q540 | K539-T543 PolarHBondContact O-OG1 2.79Å; Q540-T543 PolarHBondContact O-OG1 3.37Å |
| 544 | T | 46 | Very low | 59.9 | Low | 104 Ų | 104 | 119.3 Ų | 119.3 | 64% | 0.638 | 65% | 0.653 | S | S | * | * | trans | -122.5 | 70.5 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 545 | V | 38.4 | Very low | 57.9 | Low | 207 Ų | 207 | 112.9 Ų | 112.9 | 100% | 1.255 | 65% | 0.647 | S | S | * | * | trans | -138.7 | 0 | 153.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 545 of 545 residues in 426.4 ms
(Link to these results)