| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 57.6 | Low | 203 Ų | 203 | 105.4 Ų | 105.4 | 100% | 1 | 57% | 0.569 | S | S | * | * | 0 | 127.9 | 0 | -76.3 | 172.6 | 71.9 | 0 | 0 | 107.4 | |||||
| 2 | H | 59.9 | Low | 57.8 | Low | 124 Ų | 124 | 109.5 Ų | 109.5 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | trans | -62.2 | 136.3 | -175.7 | -148.7 | -80.6 | 0 | 0 | 0 | 109.8 | I4 M5 | H2-I4 PolarHBondContact O-N 3.45Å; H2-I4 VanDerWaalsContact O-N 3.1Å; H2-M5 WeakPolarHBondContact O-CB 3.23Å; H2-M5 PolarHBondContact O-N 3.12Å | ||
| 3 | P | 58.1 | Low | 58 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -52.8 | -34.8 | -178.1 | 13.7 | -27.2 | 0 | 0 | 0 | 113.1 | M5 L6 D7 | P3-M5 VanDerWaalsContact C-N 3.3Å; P3-M5 PolarHBondContact O-N 2.89Å; P3-L6 PolarHBondContact O-N 2.9Å; P3-L6 VanDerWaalsContact O-N 3.08Å; P3-D7 PolarHBondContact O-N 3.34Å; P3-D7 VanDerWaalsContact O-N 3.12Å |
| 4 | I | 59.9 | Low | 57.4 | Low | 102 Ų | 102 | 104.9 Ų | 104.9 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.5 | -36.4 | 174.6 | -59.8 | 173.3 | 0 | 0 | 0 | 113 | H2 L8 | H2-I4 PolarHBondContact O-N 3.45Å; H2-I4 VanDerWaalsContact O-N 3.1Å; I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 PolarHBondContact O-N 2.81Å |
| 5 | M | 54.4 | Low | 56.9 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.5 | -29.9 | 178.5 | -77.2 | -74.8 | -80.1 | 0 | 0 | 112.2 | H2 P3 V9 | H2-M5 WeakPolarHBondContact O-CB 3.23Å; H2-M5 PolarHBondContact O-N 3.12Å; P3-M5 VanDerWaalsContact C-N 3.3Å; P3-M5 PolarHBondContact O-N 2.89Å; M5-V9 WeakPolarHBondContact O-CB 3.49Å; M5-V9 WeakPolarHBondContact O-CG2 3.33Å; M5-V9 PolarHBondContact O-N 3.49Å; M5-V9 VanDerWaalsContact O-N 3.09Å |
| 6 | L | 60.8 | Low | 56.9 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.5 | -39.8 | 176.7 | -162.4 | 73.4 | 0 | 0 | 0 | 110.7 | P3 V9 T10 | P3-L6 PolarHBondContact O-N 2.9Å; P3-L6 VanDerWaalsContact O-N 3.08Å; L6-V9 PolarHBondContact O-N 3.16Å; L6-T10 WeakPolarHBondContact O-CB 3.05Å; L6-T10 VanDerWaalsContact O-CG2 3.3Å; L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.26Å; L6-T10 PolarHBondContact O-OG1 2.79Å |
| 7 | D | 55.3 | Low | 56.7 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -38.5 | 174.6 | -72.3 | -20.8 | 0 | 0 | 0 | 112.4 | P3 T10 S11 | P3-D7 PolarHBondContact O-N 3.34Å; P3-D7 VanDerWaalsContact O-N 3.12Å; D7-T10 WeakPolarHBondContact CA-OG1 3.04Å; D7-T10 PolarHBondContact O-OG1 3.08Å; D7-T10 VanDerWaalsContact O-OG1 3.08Å; D7-S11 WeakPolarHBondContact O-CB 3.27Å; D7-S11 PolarHBondContact O-N 3.16Å; D7-S11 PolarHBondContact O-OG 2.84Å |
| 8 | L | 56.9 | Low | 56.1 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 174.3 | -92 | 156.8 | 0 | 0 | 0 | 111.9 | I4 F12 | I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 PolarHBondContact O-N 2.81Å; L8-F12 VanDerWaalsContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 2.9Å |
| 9 | V | 64 | Low | 55.7 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | -179.8 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | M5 L6 F12 L13 | M5-V9 WeakPolarHBondContact O-CB 3.49Å; M5-V9 WeakPolarHBondContact O-CG2 3.33Å; M5-V9 PolarHBondContact O-N 3.49Å; M5-V9 VanDerWaalsContact O-N 3.09Å; L6-V9 PolarHBondContact O-N 3.16Å; V9-F12 PolarHBondContact O-N 3.33Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.78Å |
| 10 | T | 56.7 | Low | 55.3 | Low | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | L6 D7 F12 L13 A14 | L6-T10 WeakPolarHBondContact O-CB 3.05Å; L6-T10 VanDerWaalsContact O-CG2 3.3Å; L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.26Å; L6-T10 PolarHBondContact O-OG1 2.79Å; D7-T10 WeakPolarHBondContact CA-OG1 3.04Å; D7-T10 PolarHBondContact O-OG1 3.08Å; D7-T10 VanDerWaalsContact O-OG1 3.08Å; T10-F12 VanDerWaalsContact C-N 3.32Å; T10-F12 PolarHBondContact O-N 2.82Å; T10-L13 PolarHBondContact O-N 3.48Å; T10-A14 WeakPolarHBondContact O-CB 3.45Å; T10-A14 PolarHBondContact O-N 2.97Å |
| 11 | S | 55.6 | Low | 55 | Low | 69 Ų | 69 | 94.9 Ų | 94.9 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 172.5 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | D7 A14 V15 | D7-S11 WeakPolarHBondContact O-CB 3.27Å; D7-S11 PolarHBondContact O-N 3.16Å; D7-S11 PolarHBondContact O-OG 2.84Å; S11-A14 PolarHBondContact O-N 3.35Å; S11-V15 WeakPolarHBondContact O-CB 3.18Å; S11-V15 VanDerWaalsContact O-CG2 3.25Å; S11-V15 WeakPolarHBondContact O-CG2 3.49Å; S11-V15 PolarHBondContact O-N 3.17Å |
| 12 | F | 60.4 | Low | 54.6 | Low | 155 Ų | 155 | 85.5 Ų | 85.5 | 68% | 0.68 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 178 | -159.3 | -88.7 | 0 | 0 | 0 | 112.2 | L8 V9 T10 F16 | L8-F12 VanDerWaalsContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 2.9Å; V9-F12 PolarHBondContact O-N 3.33Å; T10-F12 VanDerWaalsContact C-N 3.32Å; T10-F12 PolarHBondContact O-N 2.82Å; F12-F16 VanDerWaalsContact O-CB 3.27Å; F12-F16 WeakPolarHBondContact O-CB 3.42Å; F12-F16 PolarHBondContact O-N 3.35Å |
| 13 | L | 60.3 | Low | 54.1 | Low | 101 Ų | 101 | 81.5 Ų | 81.5 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174 | -92.9 | 152.8 | 0 | 0 | 0 | 112 | V9 T10 F16 V17 | V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.78Å; T10-L13 PolarHBondContact O-N 3.48Å; L13-F16 PolarHBondContact O-N 2.86Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.45Å |
| 14 | A | 49 | Very low | 53.4 | Low | 53 Ų | 53 | 84.1 Ų | 84.1 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T10 S11 F16 V17 C18 | T10-A14 WeakPolarHBondContact O-CB 3.45Å; T10-A14 PolarHBondContact O-N 2.97Å; S11-A14 PolarHBondContact O-N 3.35Å; A14-F16 VanDerWaalsContact C-N 3.32Å; A14-F16 PolarHBondContact O-N 3.33Å; A14-V17 PolarHBondContact O-N 2.89Å; A14-C18 WeakPolarHBondContact O-CB 3.4Å; A14-C18 PolarHBondContact O-N 2.81Å; A14-C18 PolarHBondContact O-SG 3.15Å |
| 15 | V | 50.9 | Low | 52.5 | Low | 85 Ų | 85 | 83 Ų | 83 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | S11 C18 I19 | S11-V15 WeakPolarHBondContact O-CB 3.18Å; S11-V15 VanDerWaalsContact O-CG2 3.25Å; S11-V15 WeakPolarHBondContact O-CG2 3.49Å; S11-V15 PolarHBondContact O-N 3.17Å; V15-C18 PolarHBondContact O-N 2.91Å; V15-I19 HydrophobicContact CG1-CD1 3.77Å; V15-I19 HydrophobicContact CG1-CG1 4.42Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.46Å; V15-I19 WeakPolarHBondContact O-CD1 3.43Å; V15-I19 WeakPolarHBondContact O-CG1 3.3Å; V15-I19 PolarHBondContact O-N 3.47Å |
| 16 | F | 55.6 | Low | 51.9 | Low | 119 Ų | 119 | 79.4 Ų | 79.4 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 178.2 | -174.3 | -97.4 | 0 | 0 | 0 | 112.9 | F12 L13 A14 I19 V20 | F12-F16 VanDerWaalsContact O-CB 3.27Å; F12-F16 WeakPolarHBondContact O-CB 3.42Å; F12-F16 PolarHBondContact O-N 3.35Å; L13-F16 PolarHBondContact O-N 2.86Å; A14-F16 VanDerWaalsContact C-N 3.32Å; A14-F16 PolarHBondContact O-N 3.33Å; F16-I19 WeakPolarHBondContact O-CB 3.48Å; F16-I19 PolarHBondContact O-N 3.26Å; F16-V20 HydrophobicContact CD1-CG2 4.17Å; F16-V20 HydrophobicContact CE1-CG2 3.77Å; F16-V20 HydrophobicContact CE2-CG2 4.37Å; F16-V20 HydrophobicContact CZ-CG2 3.89Å; F16-V20 WeakPolarHBondContact O-CG2 3.39Å; F16-V20 PolarHBondContact O-N 3.44Å |
| 17 | V | 54.1 | Low | 51.1 | Low | 81 Ų | 81 | 76.8 Ų | 76.8 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L13 A14 I19 V20 V21 | L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.45Å; A14-V17 PolarHBondContact O-N 2.89Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 3.39Å; V17-V20 PolarHBondContact O-N 3.35Å; V17-V21 HydrophobicContact CG1-CG2 4.03Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.88Å |
| 18 | C | 46.7 | Very low | 50.3 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 173.5 | -73 | 0 | 0 | 0 | 0 | 110.3 | A14 V15 V21 G22 F258 | A14-C18 WeakPolarHBondContact O-CB 3.4Å; A14-C18 PolarHBondContact O-N 2.81Å; A14-C18 PolarHBondContact O-SG 3.15Å; V15-C18 PolarHBondContact O-N 2.91Å; C18-V21 PolarHBondContact O-N 2.9Å; C18-G22 WeakPolarHBondContact O-CA 3.41Å; C18-G22 PolarHBondContact O-N 2.69Å; C18-F258 HydrophobicContact CB-CE1 4.24Å; C18-F258 HydrophobicContact CB-CZ 4.23Å; C18-F258 WeakPolarHBondContact O-CZ 3.31Å |
| 19 | I | 48 | Very low | 49.6 | Very low | 44 Ų | 44 | 75.2 Ų | 75.2 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -52.2 | -59 | 174.3 | -78.7 | 170 | 0 | 0 | 0 | 109.8 | V15 F16 V17 V21 G22 F23 F258 | V15-I19 HydrophobicContact CG1-CD1 3.77Å; V15-I19 HydrophobicContact CG1-CG1 4.42Å; V15-I19 VanDerWaalsContact O-CB 3.29Å; V15-I19 WeakPolarHBondContact O-CB 3.46Å; V15-I19 WeakPolarHBondContact O-CD1 3.43Å; V15-I19 WeakPolarHBondContact O-CG1 3.3Å; V15-I19 PolarHBondContact O-N 3.47Å; F16-I19 WeakPolarHBondContact O-CB 3.48Å; F16-I19 PolarHBondContact O-N 3.26Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 3.39Å; I19-V21 PolarHBondContact O-N 3.27Å; I19-G22 PolarHBondContact O-N 3.4Å; I19-F23 HydrophobicContact CB-CD2 4.32Å; I19-F23 HydrophobicContact CB-CE2 4.35Å; I19-F23 HydrophobicContact CG2-CD2 3.59Å; I19-F23 HydrophobicContact CG2-CE2 3.69Å; I19-F23 VanDerWaalsContact O-CB 3.28Å; I19-F23 WeakPolarHBondContact O-CB 3.43Å; I19-F23 WeakPolarHBondContact O-CD2 3.33Å; I19-F23 WeakPolarHBondContact O-CG 3.32Å; I19-F23 PolarHBondContact O-N 2.94Å; I19-F258 HydrophobicContact CG1-CE1 3.74Å; I19-F258 HydrophobicContact CG1-CZ 4.32Å |
| 20 | V | 48.1 | Very low | 48.7 | Very low | 60 Ų | 60 | 75.6 Ų | 75.6 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | -174.5 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | F16 V17 F23 Y24 | F16-V20 HydrophobicContact CD1-CG2 4.17Å; F16-V20 HydrophobicContact CE1-CG2 3.77Å; F16-V20 HydrophobicContact CE2-CG2 4.37Å; F16-V20 HydrophobicContact CZ-CG2 3.89Å; F16-V20 WeakPolarHBondContact O-CG2 3.39Å; F16-V20 PolarHBondContact O-N 3.44Å; V17-V20 PolarHBondContact O-N 3.35Å; V20-F23 PolarHBondContact O-N 2.95Å; V20-Y24 WeakPolarHBondContact O-CB 3.43Å; V20-Y24 PolarHBondContact O-N 2.79Å |
| 21 | V | 47.9 | Very low | 48 | Very low | 73 Ų | 73 | 74.6 Ų | 74.6 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -45.2 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V17 C18 I19 F23 Y24 L25 | V17-V21 HydrophobicContact CG1-CG2 4.03Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.88Å; C18-V21 PolarHBondContact O-N 2.9Å; I19-V21 PolarHBondContact O-N 3.27Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 3.45Å; V21-Y24 PolarHBondContact O-N 2.85Å; V21-L25 HydrophobicContact CG1-CD1 3.99Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.47Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.47Å |
| 22 | G | 44.5 | Very low | 47.6 | Very low | 5 Ų | 5 | 74.6 Ų | 74.6 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C18 I19 L26 | C18-G22 WeakPolarHBondContact O-CA 3.41Å; C18-G22 PolarHBondContact O-N 2.69Å; I19-G22 PolarHBondContact O-N 3.4Å; G22-L26 VanDerWaalsContact O-CB 3.31Å; G22-L26 WeakPolarHBondContact O-CB 3.34Å; G22-L26 PolarHBondContact O-N 3.44Å |
| 23 | F | 48.4 | Very low | 47.3 | Very low | 41 Ų | 41 | 68.2 Ų | 68.2 | 18% | 0.18 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.3 | -38.4 | 174.3 | -79.5 | -60.4 | 0 | 0 | 0 | 113.3 | I19 V20 V21 L26 L27 Y192 | I19-F23 HydrophobicContact CB-CD2 4.32Å; I19-F23 HydrophobicContact CB-CE2 4.35Å; I19-F23 HydrophobicContact CG2-CD2 3.59Å; I19-F23 HydrophobicContact CG2-CE2 3.69Å; I19-F23 VanDerWaalsContact O-CB 3.28Å; I19-F23 WeakPolarHBondContact O-CB 3.43Å; I19-F23 WeakPolarHBondContact O-CD2 3.33Å; I19-F23 WeakPolarHBondContact O-CG 3.32Å; I19-F23 PolarHBondContact O-N 2.94Å; V20-F23 PolarHBondContact O-N 2.95Å; V21-F23 VanDerWaalsContact C-N 3.27Å; V21-F23 PolarHBondContact O-N 3.45Å; F23-L26 HydrophobicContact CD1-CD1 3.61Å; F23-L26 HydrophobicContact CE1-CD1 3.74Å; F23-L26 HydrophobicContact CG-CD1 4.47Å; F23-L26 VanDerWaalsContact O-CB 3.24Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.47Å; F23-L27 PolarHBondContact O-N 3.34Å; F23-Y192 AromaticContact CE1-CE2 3.58Å; F23-Y192 HydrophobicContact CE1-CE2 3.58Å; F23-Y192 AromaticContact CE1-CZ 3.74Å; F23-Y192 WeakPolarHBondContact CE1-OH 3.42Å; F23-Y192 HydrophobicContact CZ-CD2 4.41Å; F23-Y192 AromaticContact CZ-CE2 3.51Å; F23-Y192 HydrophobicContact CZ-CE2 3.51Å |
| 24 | Y | 43.2 | Very low | 47.9 | Very low | 146 Ų | 146 | 65.6 Ų | 65.6 | 57% | 0.573 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 174.3 | -176.7 | -96.9 | 0 | 0 | 0 | 111.7 | V20 V21 L27 Q28 | V20-Y24 WeakPolarHBondContact O-CB 3.43Å; V20-Y24 PolarHBondContact O-N 2.79Å; V21-Y24 PolarHBondContact O-N 2.85Å; Y24-L27 PolarHBondContact O-N 2.95Å; Y24-Q28 HydrophobicContact CE1-CG 4.13Å; Y24-Q28 PolarHBondContact O-N 3.34Å; Y24-Q28 PolarHBondContact OH-NE2 3.24Å |
| 25 | L | 40.7 | Very low | 49.3 | Very low | 77 Ų | 77 | 64.1 Ų | 64.1 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 174.7 | -67.8 | 172.1 | 0 | 0 | 0 | 112 | V21 L27 Q28 N29 | V21-L25 HydrophobicContact CG1-CD1 3.99Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.47Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.24Å; V21-L25 PolarHBondContact O-N 3.47Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.3Å; L25-Q28 PolarHBondContact O-N 3.28Å; L25-N29 VanDerWaalsContact O-CB 3.32Å; L25-N29 WeakPolarHBondContact O-CB 3.49Å; L25-N29 PolarHBondContact O-N 2.94Å; L25-N29 PolarHBondContact O-ND2 3.35Å |
| 26 | L | 43.5 | Very low | 50.7 | Low | 35 Ų | 35 | 62.4 Ų | 62.4 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 170.1 | -106.9 | 154.1 | 0 | 0 | 0 | 111.6 | G22 F23 N29 Y30 I254 | G22-L26 VanDerWaalsContact O-CB 3.31Å; G22-L26 WeakPolarHBondContact O-CB 3.34Å; G22-L26 PolarHBondContact O-N 3.44Å; F23-L26 HydrophobicContact CD1-CD1 3.61Å; F23-L26 HydrophobicContact CE1-CD1 3.74Å; F23-L26 HydrophobicContact CG-CD1 4.47Å; F23-L26 VanDerWaalsContact O-CB 3.24Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.47Å; L26-N29 PolarHBondContact O-N 2.95Å; L26-Y30 WeakPolarHBondContact O-CB 3.26Å; L26-Y30 PolarHBondContact O-N 3.39Å; L26-I254 HydrophobicContact CB-CD1 4.36Å; L26-I254 HydrophobicContact CD1-CD1 4.43Å; L26-I254 HydrophobicContact CD1-CG1 4.37Å; L26-I254 HydrophobicContact CD1-CG2 3.75Å; L26-I254 HydrophobicContact CD2-CD1 3.21Å; L26-I254 HydrophobicContact CD2-CG1 4Å; L26-I254 HydrophobicContact CD2-CG2 4.13Å; L26-I254 HydrophobicContact CG-CB 4.46Å; L26-I254 HydrophobicContact CG-CD1 3.38Å; L26-I254 HydrophobicContact CG-CG1 3.7Å; L26-I254 HydrophobicContact CG-CG2 3.96Å |
| 27 | L | 42.6 | Very low | 51.9 | Low | 50 Ų | 50 | 59.3 Ų | 59.3 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | -178.2 | -141.4 | 86.3 | 0 | 0 | 0 | 111.6 | F23 Y24 L25 Y30 L31 C199 | F23-L27 PolarHBondContact O-N 3.34Å; Y24-L27 PolarHBondContact O-N 2.95Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.3Å; L27-Y30 PolarHBondContact O-N 3.48Å; L27-L31 HydrophobicContact CD2-CD1 4.39Å; L27-L31 HydrophobicContact CG-CD1 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CD1 3.45Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.25Å; L27-C199 HydrophobicContact CD1-CB 3.74Å; L27-C199 WeakPolarHBondContact CD1-SG 3.2Å; L27-C199 HydrophobicContact CD2-CB 4.09Å; L27-C199 HydrophobicContact CG-CB 4.47Å |
| 28 | Q | 40 | Very low | 52.8 | Low | 98 Ų | 98 | 57.2 Ų | 57.2 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | -77.3 | -141.2 | -22.6 | 0 | 0 | 112.4 | Y24 L25 Y30 L31 S32 | Y24-Q28 HydrophobicContact CE1-CG 4.13Å; Y24-Q28 PolarHBondContact O-N 3.34Å; Y24-Q28 PolarHBondContact OH-NE2 3.24Å; L25-Q28 PolarHBondContact O-N 3.28Å; Q28-Y30 VanDerWaalsContact C-N 3.31Å; Q28-Y30 PolarHBondContact O-N 2.83Å; Q28-L31 PolarHBondContact O-N 3.17Å; Q28-S32 WeakPolarHBondContact O-CB 3.47Å; Q28-S32 PolarHBondContact O-N 2.94Å; Q28-S32 PolarHBondContact O-OG 3.4Å |
| 29 | N | 40.3 | Very low | 54.4 | Low | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.5 | -26.7 | 174.8 | -76.1 | -25.8 | 0 | 0 | 0 | 112.8 | L25 L26 S32 | L25-N29 VanDerWaalsContact O-CB 3.32Å; L25-N29 WeakPolarHBondContact O-CB 3.49Å; L25-N29 PolarHBondContact O-N 2.94Å; L25-N29 PolarHBondContact O-ND2 3.35Å; L26-N29 PolarHBondContact O-N 2.95Å; N29-S32 VanDerWaalsContact O-O 3.11Å |
| 30 | Y | 44.9 | Very low | 55.7 | Low | 81 Ų | 81 | 58 Ų | 58 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74 | -31.6 | 173.6 | -164 | -98.5 | 0 | 0 | 0 | 111.9 | L26 L27 Q28 F201 L242 | L26-Y30 WeakPolarHBondContact O-CB 3.26Å; L26-Y30 PolarHBondContact O-N 3.39Å; L27-Y30 PolarHBondContact O-N 3.48Å; Q28-Y30 VanDerWaalsContact C-N 3.31Å; Q28-Y30 PolarHBondContact O-N 2.83Å; Y30-F201 HydrophobicContact CD1-CE2 4.13Å; Y30-F201 HydrophobicContact CD1-CZ 4.04Å; Y30-F201 HydrophobicContact CE1-CE2 4.11Å; Y30-F201 HydrophobicContact CE1-CZ 4.29Å; Y30-L242 HydrophobicContact CD1-CD2 4.04Å; Y30-L242 HydrophobicContact CE1-CD2 3.23Å |
| 31 | L | 42.6 | Very low | 56.6 | Low | 52 Ų | 52 | 61.4 Ų | 61.4 | 27% | 0.272 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -86 | -30.8 | 179.9 | -75.8 | 165.2 | 0 | 0 | 0 | 113.6 | L27 Q28 A170 F201 | L27-L31 HydrophobicContact CD2-CD1 4.39Å; L27-L31 HydrophobicContact CG-CD1 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CD1 3.45Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.25Å; Q28-L31 PolarHBondContact O-N 3.17Å; L31-A170 HydrophobicContact CD2-CB 4.03Å; L31-F201 HydrophobicContact CD2-CD1 4.48Å; L31-F201 HydrophobicContact CD2-CE1 3.21Å; L31-F201 HydrophobicContact CD2-CZ 3.35Å; L31-F201 HydrophobicContact CG-CE1 4.31Å; L31-F201 HydrophobicContact CG-CZ 3.97Å |
| 32 | S | 46.6 | Very low | 58.1 | Low | 69 Ų | 69 | 63.6 Ų | 63.6 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102.5 | 96.2 | 175.8 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | Q28 N29 G34 | Q28-S32 WeakPolarHBondContact O-CB 3.47Å; Q28-S32 PolarHBondContact O-N 2.94Å; Q28-S32 PolarHBondContact O-OG 3.4Å; N29-S32 VanDerWaalsContact O-O 3.11Å; S32-G34 PolarHBondContact O-N 3.37Å |
| 33 | S | 55.8 | Low | 59.8 | Low | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | trans | -70.5 | 97.9 | 168.9 | 36.2 | 0 | 0 | 0 | 0 | 108.6 | C83 K84 Q85 V86 | S33-C83 WeakPolarHBondContact O-CB 3.15Å; S33-K84 WeakPolarHBondContact CB-O 3.21Å; S33-K84 PolarHBondContact OG-O 3.01Å; S33-Q85 WeakPolarHBondContact OG-CA 3.41Å; S33-V86 PolarHBondContact OG-N 3.07Å | ||
| 34 | G | 71.2 | Confident | 61.3 | Low | 47 Ų | 47 | 69.5 Ų | 69.5 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | trans | -64.3 | 178.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111 | S32 | S32-G34 PolarHBondContact O-N 3.37Š| ||
| 35 | H | 79.3 | Confident | 63 | Low | 22 Ų | 22 | 68.3 Ų | 68.3 | 10% | 0.102 | 37% | 0.371 | C | S | . | . | trans | -67.5 | 144.4 | 177.4 | -63.7 | -76.2 | 0 | 0 | 0 | 111.6 | W37 C62 C65 A77 D78 L81 C83 | H35-W37 HydrophobicContact CB-CD2 4.03Å; H35-W37 HydrophobicContact CB-CH2 4.22Å; H35-W37 HydrophobicContact CB-CZ2 3.47Å; H35-W37 VanDerWaalsContact CB-CZ2 3.47Å; H35-W37 AromaticContact CD2-CZ2 3.73Å; H35-W37 AromaticContact CG-CZ2 3.55Å; H35-C62 VanDerWaalsContact CA-SG 3.6Å; H35-C62 HydrophobicContact CB-CB 4.04Å; H35-C62 PolarHBondContact ND1-SG 3.46Å; H35-C62 VanDerWaalsContact ND1-SG 3.41Å; H35-C65 VanDerWaalsContact CE1-SG 3.57Å; H35-C65 PolarHBondContact ND1-SG 3.4Å; H35-A77 PolarHBondContact NE2-O 3.29Å; H35-D78 IonicContact CD2-OD1 2.83Å; H35-D78 PolarHBondContact CD2-OD1 2.93Å; H35-D78 IonicContact CG-OD1 3.06Å; H35-L81 PolarHBondContact NE2-O 2.93Å; H35-C83 PolarHBondContact ND1-SG 2.84Å | ||
| 36 | H | 80.2 | Confident | 65 | Low | 48 Ų | 48 | 66.8 Ų | 66.8 | 22% | 0.222 | 37% | 0.374 | C | S | . | . | trans | -106.6 | 88.3 | 172.4 | -173.4 | 85.8 | 0 | 0 | 0 | 109.8 | T38 C62 D63 Y64 R236 | H36-T38 PolarHBondContact O-N 3.26Å; H36-C62 PolarHBondContact N-SG 2.99Å; H36-C62 CarbonylContact O-C 3.23Å; H36-C62 VanDerWaalsContact O-CA 3.31Å; H36-C62 WeakPolarHBondContact O-CA 3.44Å; H36-D63 HydrophobicContact CB-CB 4.35Å; H36-D63 IonicContact CD2-OD2 3.03Å; H36-D63 PolarHBondContact CD2-OD2 3.41Å; H36-D63 VanDerWaalsContact CD2-OD2 3.23Å; H36-D63 IonicContact NE2-OD2 3.91Å; H36-D63 PolarHBondContact O-N 2.92Å; H36-Y64 HydrophobicContact CB-CD2 3.55Å; H36-Y64 HydrophobicContact CB-CE2 3.37Å; H36-Y64 HydrophobicContact CB-CG 4.47Å; H36-R236 PolarHBondContact CD2-NH1 3.01Å; H36-R236 VanDerWaalsContact CD2-NH1 3.26Å; H36-R236 PolarHBondContact NE2-NH1 2.86Å | ||
| 37 | W | 81.8 | Confident | 67.1 | Low | 54 Ų | 54 | 66.2 Ų | 66.2 | 21% | 0.205 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.3 | -175.9 | -59.5 | 113.4 | 0 | 0 | 0 | 112.3 | H35 V60 C62 V67 A69 V74 A77 D78 | H35-W37 HydrophobicContact CB-CD2 4.03Å; H35-W37 HydrophobicContact CB-CH2 4.22Å; H35-W37 HydrophobicContact CB-CZ2 3.47Å; H35-W37 VanDerWaalsContact CB-CZ2 3.47Å; H35-W37 AromaticContact CD2-CZ2 3.73Å; H35-W37 AromaticContact CG-CZ2 3.55Å; W37-V60 HydrophobicContact CB-CB 4.14Å; W37-V60 HydrophobicContact CB-CG1 4.46Å; W37-V60 HydrophobicContact CB-CG2 4.4Å; W37-V60 HydrophobicContact CD2-CB 4.41Å; W37-V60 HydrophobicContact CD2-CG2 3.87Å; W37-V60 HydrophobicContact CE3-CB 3.87Å; W37-V60 HydrophobicContact CE3-CG2 3.4Å; W37-V60 VanDerWaalsContact CE3-CG2 3.4Å; W37-V60 HydrophobicContact CG-CG2 4.31Å; W37-V60 HydrophobicContact CZ3-CG2 3.94Å; W37-C62 HydrophobicContact CE3-CB 4.06Å; W37-C62 HydrophobicContact CH2-CB 4.37Å; W37-C62 HydrophobicContact CZ3-CB 3.93Å; W37-V67 HydrophobicContact CH2-CB 4.3Å; W37-V67 HydrophobicContact CH2-CG1 3.71Å; W37-V67 HydrophobicContact CZ3-CG1 4.25Å; W37-V67 WeakPolarHBondContact CZ3-O 3.45Å; W37-A69 HydrophobicContact CH2-CB 3.89Å; W37-A69 HydrophobicContact CZ3-CB 3.99Å; W37-V74 HydrophobicContact CD2-CG1 4.24Å; W37-V74 HydrophobicContact CG-CG1 4.13Å; W37-V74 HydrophobicContact CZ2-CG1 4.47Å; W37-A77 HydrophobicContact CH2-CB 3.75Å; W37-A77 HydrophobicContact CZ2-CB 3.65Å; W37-D78 PolarHBondContact NE1-OD1 3.17Å; W37-D78 PolarHBondContact NE1-OD2 2.98Å |
| 38 | T | 73.2 | Confident | 69.6 | Low | 38 Ų | 38 | 65.7 Ų | 65.7 | 23% | 0.233 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130 | 168.9 | -63.7 | 0 | 0 | 0 | 0 | 108.7 | H36 V40 V60 E61 D63 | H36-T38 PolarHBondContact O-N 3.26Å; T38-V40 PolarHBondContact O-N 3.18Å; T38-V60 WeakPolarHBondContact O-CA 3.48Å; T38-E61 PolarHBondContact N-O 3.33Å; T38-E61 PolarHBondContact O-N 3.16Å; T38-D63 WeakPolarHBondContact CB-OD1 3.21Å; T38-D63 VanDerWaalsContact OG1-CG 3.23Å; T38-D63 PolarHBondContact OG1-OD1 2.94Å; T38-D63 PolarHBondContact OG1-OD2 2.96Å |
| 39 | I | 78.4 | Confident | 72.2 | Confident | 105 Ų | 105 | 61 Ų | 61 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 133.3 | 174.2 | -60.2 | 173.8 | 0 | 0 | 0 | 109 | G59 V60 F71 | I39-G59 WeakPolarHBondContact CA-O 3.39Å; I39-V60 HydrophobicContact CG1-CG1 4.13Å; I39-F71 HydrophobicContact CD1-CE1 4.49Å; I39-F71 HydrophobicContact CG1-CE1 4.23Å; I39-F71 HydrophobicContact CG2-CZ 4.2Å |
| 40 | V | 75.6 | Confident | 74.8 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110.6 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | T38 V42 F43 G59 E61 | T38-V40 PolarHBondContact O-N 3.18Å; V40-V42 VanDerWaalsContact C-N 3.32Å; V40-V42 PolarHBondContact O-N 2.89Å; V40-F43 HydrophobicContact CB-CD1 4.12Å; V40-F43 HydrophobicContact CB-CD2 4.42Å; V40-F43 HydrophobicContact CB-CE1 3.63Å; V40-F43 HydrophobicContact CB-CE2 3.96Å; V40-F43 HydrophobicContact CB-CG 4.5Å; V40-F43 HydrophobicContact CB-CZ 3.53Å; V40-F43 HydrophobicContact CG1-CD1 3.67Å; V40-F43 HydrophobicContact CG1-CD2 4.41Å; V40-F43 HydrophobicContact CG1-CE1 3.67Å; V40-F43 HydrophobicContact CG1-CE2 4.4Å; V40-F43 HydrophobicContact CG1-CG 4.06Å; V40-F43 HydrophobicContact CG1-CZ 4.05Å; V40-F43 HydrophobicContact CG2-CD1 4.5Å; V40-F43 HydrophobicContact CG2-CE1 3.65Å; V40-F43 HydrophobicContact CG2-CZ 3.71Å; V40-G59 PolarHBondContact N-O 3.43Å; V40-G59 PolarHBondContact O-N 2.94Å; V40-E61 HydrophobicContact CG2-CB 4.01Å |
| 41 | D | 68.4 | Low | 77.2 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -64.5 | -37.6 | -175.4 | -60 | -44.1 | 0 | 0 | 0 | 112.1 | Y58 | D41-Y58 WeakPolarHBondContact O-CB 3.21Š|
| 42 | V | 78.7 | Confident | 79.6 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | trans | -143.3 | 112.2 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 110 | V40 F57 | V40-V42 VanDerWaalsContact C-N 3.32Å; V40-V42 PolarHBondContact O-N 2.89Å; V42-F57 CarbonylContact C-O 3.57Å; V42-F57 WeakPolarHBondContact CA-O 3.24Å | ||
| 43 | F | 80.3 | Confident | 81.8 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 153.2 | 166.9 | -73.6 | -67.5 | 0 | 0 | 0 | 110.8 | V40 V47 M56 F57 E61 V68 | V40-F43 HydrophobicContact CB-CD1 4.12Å; V40-F43 HydrophobicContact CB-CD2 4.42Å; V40-F43 HydrophobicContact CB-CE1 3.63Å; V40-F43 HydrophobicContact CB-CE2 3.96Å; V40-F43 HydrophobicContact CB-CG 4.5Å; V40-F43 HydrophobicContact CB-CZ 3.53Å; V40-F43 HydrophobicContact CG1-CD1 3.67Å; V40-F43 HydrophobicContact CG1-CD2 4.41Å; V40-F43 HydrophobicContact CG1-CE1 3.67Å; V40-F43 HydrophobicContact CG1-CE2 4.4Å; V40-F43 HydrophobicContact CG1-CG 4.06Å; V40-F43 HydrophobicContact CG1-CZ 4.05Å; V40-F43 HydrophobicContact CG2-CD1 4.5Å; V40-F43 HydrophobicContact CG2-CE1 3.65Å; V40-F43 HydrophobicContact CG2-CZ 3.71Å; F43-V47 HydrophobicContact CB-CB 3.97Å; F43-V47 HydrophobicContact CB-CG1 4.31Å; F43-V47 HydrophobicContact CB-CG2 4Å; F43-V47 HydrophobicContact CD1-CB 4.39Å; F43-V47 HydrophobicContact CD1-CG1 3.95Å; F43-V47 HydrophobicContact CD1-CG2 4.18Å; F43-V47 HydrophobicContact CD2-CG1 4.3Å; F43-V47 HydrophobicContact CE1-CG1 4.31Å; F43-V47 HydrophobicContact CG-CB 4.18Å; F43-V47 HydrophobicContact CG-CG1 3.94Å; F43-V47 HydrophobicContact CG-CG2 4.31Å; F43-M56 HydrophobicContact CD2-CB 4.4Å; F43-M56 HydrophobicContact CE2-CE 4.06Å; F43-F57 PolarHBondContact N-O 3.32Å; F43-E61 HydrophobicContact CE1-CB 4.27Å; F43-E61 HydrophobicContact CZ-CB 4.3Å; F43-V68 HydrophobicContact CE1-CG1 4.24Å; F43-V68 HydrophobicContact CE1-CG2 4.34Å; F43-V68 HydrophobicContact CE2-CG1 3.96Å; F43-V68 HydrophobicContact CZ-CG1 3.64Å; F43-V68 HydrophobicContact CZ-CG2 4.44Å |
| 44 | K | 79.1 | Confident | 83.4 | Confident | 153 Ų | 153 | 59.7 Ų | 59.7 | 67% | 0.665 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 151.9 | 167.5 | -65.7 | -178.1 | -179 | -179.4 | 0 | 109.4 | G46 V47 I103 | K44-G46 PolarHBondContact O-N 3.18Å; K44-V47 WeakPolarHBondContact O-CG2 3.1Å; K44-I103 HydrophobicContact CD-CD1 4.47Å |
| 45 | P | 78.9 | Confident | 84.3 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 79% | 0.786 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 141 | 173 | -25.2 | 34.1 | 0 | 0 | 0 | 111.7 | ||
| 46 | G | 82.5 | Confident | 84.5 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 14.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K44 Y48 | K44-G46 PolarHBondContact O-N 3.18Å; G46-Y48 VanDerWaalsContact O-CD2 3.27Å; G46-Y48 WeakPolarHBondContact O-CD2 3.34Å; G46-Y48 VanDerWaalsContact O-CE2 3.23Å; G46-Y48 WeakPolarHBondContact O-CE2 3.36Å |
| 47 | V | 89.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -90.1 | 138.7 | 170.2 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | F43 K44 S55 M56 V68 N100 | F43-V47 HydrophobicContact CB-CB 3.97Å; F43-V47 HydrophobicContact CB-CG1 4.31Å; F43-V47 HydrophobicContact CB-CG2 4Å; F43-V47 HydrophobicContact CD1-CB 4.39Å; F43-V47 HydrophobicContact CD1-CG1 3.95Å; F43-V47 HydrophobicContact CD1-CG2 4.18Å; F43-V47 HydrophobicContact CD2-CG1 4.3Å; F43-V47 HydrophobicContact CE1-CG1 4.31Å; F43-V47 HydrophobicContact CG-CB 4.18Å; F43-V47 HydrophobicContact CG-CG1 3.94Å; F43-V47 HydrophobicContact CG-CG2 4.31Å; K44-V47 WeakPolarHBondContact O-CG2 3.1Å; V47-S55 WeakPolarHBondContact O-CA 3.32Å; V47-M56 PolarHBondContact O-N 3.04Å; V47-V68 HydrophobicContact CG1-CB 4.33Å; V47-V68 HydrophobicContact CG1-CG1 3.79Å; V47-V68 HydrophobicContact CG1-CG2 4.15Å; V47-N100 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 48 | Y | 93.7 | Very high | 84.7 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -129.4 | 148.1 | -178.6 | -60.6 | -96.2 | 0 | 0 | 0 | 111.4 | G46 N50 S53 T54 N100 G119 | G46-Y48 VanDerWaalsContact O-CD2 3.27Å; G46-Y48 WeakPolarHBondContact O-CD2 3.34Å; G46-Y48 VanDerWaalsContact O-CE2 3.23Å; G46-Y48 WeakPolarHBondContact O-CE2 3.36Å; Y48-N50 PolarHBondContact O-N 3.05Å; Y48-S53 WeakPolarHBondContact CD1-O 3.39Å; Y48-T54 VanDerWaalsContact CA-O 3.3Å; Y48-T54 WeakPolarHBondContact CA-O 3.32Å; Y48-N100 PolarHBondContact N-OD1 2.84Å; Y48-N100 PolarHBondContact O-ND2 2.83Å; Y48-G119 WeakPolarHBondContact CD2-O 3.25Å; Y48-G119 VanDerWaalsContact CE2-N 3.26Å; Y48-G119 PolarHBondContact OH-N 3.45Å |
| 49 | C | 94.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -63.8 | 130.1 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | I51 C52 S53 T54 M56 | C49-I51 PolarHBondContact O-N 2.83Å; C49-I51 VanDerWaalsContact O-N 3.15Å; C49-I51 PolarHBondContact SG-N 2.95Å; C49-I51 VanDerWaalsContact SG-N 3.36Å; C49-C52 WeakPolarHBondContact CB-SG 3.41Å; C49-C52 VanDerWaalsContact SG-SG 3.6Å; C49-S53 WeakPolarHBondContact O-CA 3.41Å; C49-S53 PolarHBondContact O-N 3.19Å; C49-T54 PolarHBondContact N-O 3.07Å; C49-M56 VanDerWaalsContact CA-SD 3.58Å; C49-M56 HydrophobicContact CB-CG 4.36Å; C49-M56 HydrophobicContact CB-SD 3.57Å; C49-M56 VanDerWaalsContact CB-SD 3.57Å | ||
| 50 | N | 95.6 | Very high | 85.7 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.4 | 177 | -79.5 | 107.5 | 0 | 0 | 0 | 115 | Y48 V67 V68 L81 H98 N100 | Y48-N50 PolarHBondContact O-N 3.05Å; N50-V67 HydrophobicContact CB-CG1 3.79Å; N50-V68 WeakPolarHBondContact CB-O 3.34Å; N50-V68 PolarHBondContact N-O 2.9Å; N50-V68 PolarHBondContact OD1-N 3.07Å; N50-V68 PolarHBondContact OD1-O 3.35Å; N50-L81 HydrophobicContact CB-CD1 3.91Å; N50-H98 PolarHBondContact ND2-O 2.7Å; N50-N100 PolarHBondContact OD1-ND2 3.18Å |
| 51 | I | 95.1 | Very high | 86.4 | Confident | 48 Ų | 48 | 63 Ų | 63 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -58.7 | 178.4 | -59.6 | -63.7 | 0 | 0 | 0 | 110.9 | C49 C73 N76 A77 D80 L81 | C49-I51 PolarHBondContact O-N 2.83Å; C49-I51 VanDerWaalsContact O-N 3.15Å; C49-I51 PolarHBondContact SG-N 2.95Å; C49-I51 VanDerWaalsContact SG-N 3.36Å; I51-C73 HydrophobicContact CB-CB 3.9Å; I51-C73 HydrophobicContact CG1-CB 4.19Å; I51-C73 HydrophobicContact CG2-CB 4.19Å; I51-N76 HydrophobicContact CG1-CB 4.49Å; I51-N76 HydrophobicContact CG2-CB 3.96Å; I51-A77 HydrophobicContact CD1-CB 4.09Å; I51-A77 HydrophobicContact CG1-CB 3.86Å; I51-D80 HydrophobicContact CD1-CB 4.48Å; I51-L81 HydrophobicContact CD1-CD1 3.69Å; I51-L81 HydrophobicContact CD1-CG 3.89Å; I51-L81 HydrophobicContact CG1-CD1 4.45Å |
| 52 | C | 93 | Very high | 87.5 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.6 | -175 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | C49 T54 D70 | C49-C52 WeakPolarHBondContact CB-SG 3.41Å; C49-C52 VanDerWaalsContact SG-SG 3.6Å; C52-T54 PolarHBondContact O-N 3.44Å; C52-T54 WeakPolarHBondContact SG-CB 3.3Å; C52-T54 PolarHBondContact SG-OG1 3.16Å; C52-T54 VanDerWaalsContact SG-OG1 3.32Å; C52-D70 PolarHBondContact SG-OD2 2.84Å |
| 53 | S | 93.1 | Very high | 87.7 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | trans | 55.9 | 17.1 | -177.4 | -59.6 | 0 | 0 | 0 | 0 | 114.9 | Y48 C49 | Y48-S53 WeakPolarHBondContact CD1-O 3.39Å; C49-S53 WeakPolarHBondContact O-CA 3.41Å; C49-S53 PolarHBondContact O-N 3.19Å | ||
| 54 | T | 89.7 | Confident | 88.1 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | trans | -79.7 | 141.1 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | Y48 C49 C52 | Y48-T54 VanDerWaalsContact CA-O 3.3Å; Y48-T54 WeakPolarHBondContact CA-O 3.32Å; C49-T54 PolarHBondContact N-O 3.07Å; C52-T54 PolarHBondContact O-N 3.44Å; C52-T54 WeakPolarHBondContact SG-CB 3.3Å; C52-T54 PolarHBondContact SG-OG1 3.16Å; C52-T54 VanDerWaalsContact SG-OG1 3.32Å | ||
| 55 | S | 89.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 39% | 0.392 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -67 | 138 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | V47 | V47-S55 WeakPolarHBondContact O-CA 3.32Å |
| 56 | M | 84.3 | Confident | 89.3 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | trans | -125.5 | 137.3 | -172.4 | -65 | -179.6 | 59.5 | 0 | 0 | 112.1 | F43 V47 C49 Y58 V68 A69 D70 | F43-M56 HydrophobicContact CD2-CB 4.4Å; F43-M56 HydrophobicContact CE2-CE 4.06Å; V47-M56 PolarHBondContact O-N 3.04Å; C49-M56 VanDerWaalsContact CA-SD 3.58Å; C49-M56 HydrophobicContact CB-CG 4.36Å; C49-M56 HydrophobicContact CB-SD 3.57Å; C49-M56 VanDerWaalsContact CB-SD 3.57Å; M56-Y58 WeakPolarHBondContact CE-O 3.47Å; M56-V68 HydrophobicContact CE-CG1 4.15Å; M56-V68 HydrophobicContact SD-CG1 3.87Å; M56-A69 WeakPolarHBondContact CE-O 3.47Å; M56-D70 VanDerWaalsContact CE-CA 3.45Å; M56-D70 HydrophobicContact CE-CB 3.81Å; M56-D70 HydrophobicContact SD-CB 4.1Å | ||
| 57 | F | 81.9 | Confident | 89.9 | Confident | 143 Ų | 143 | 36.8 Ų | 36.8 | 63% | 0.627 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -101 | -24.2 | 168.8 | -67.5 | -79.5 | 0 | 0 | 0 | 112.6 | V42 F43 | V42-F57 CarbonylContact C-O 3.57Å; V42-F57 WeakPolarHBondContact CA-O 3.24Å; F43-F57 PolarHBondContact N-O 3.32Å |
| 58 | Y | 84.8 | Confident | 90.1 | Very high | 152 Ų | 152 | 36 Ų | 36 | 60% | 0.596 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -151.2 | 158.9 | 178.9 | 63.4 | -91.4 | 0 | 0 | 0 | 109.5 | D41 M56 F71 | D41-Y58 WeakPolarHBondContact O-CB 3.21Å; M56-Y58 WeakPolarHBondContact CE-O 3.47Å; Y58-F71 HydrophobicContact CD2-CD2 4.37Å; Y58-F71 AromaticContact CD2-CE2 3.76Å; Y58-F71 HydrophobicContact CD2-CE2 3.76Å; Y58-F71 HydrophobicContact CE2-CD2 4.21Å; Y58-F71 AromaticContact CE2-CE2 3.96Å; Y58-F71 HydrophobicContact CE2-CE2 3.96Å |
| 59 | G | 85.9 | Confident | 90 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -143.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I39 V40 | I39-G59 WeakPolarHBondContact CA-O 3.39Å; V40-G59 PolarHBondContact N-O 3.43Å; V40-G59 PolarHBondContact O-N 2.94Å |
| 60 | V | 87 | Confident | 89.6 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.6 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | W37 T38 I39 V68 A69 F71 V74 | W37-V60 HydrophobicContact CB-CB 4.14Å; W37-V60 HydrophobicContact CB-CG1 4.46Å; W37-V60 HydrophobicContact CB-CG2 4.4Å; W37-V60 HydrophobicContact CD2-CB 4.41Å; W37-V60 HydrophobicContact CD2-CG2 3.87Å; W37-V60 HydrophobicContact CE3-CB 3.87Å; W37-V60 HydrophobicContact CE3-CG2 3.4Å; W37-V60 VanDerWaalsContact CE3-CG2 3.4Å; W37-V60 HydrophobicContact CG-CG2 4.31Å; W37-V60 HydrophobicContact CZ3-CG2 3.94Å; T38-V60 WeakPolarHBondContact O-CA 3.48Å; I39-V60 HydrophobicContact CG1-CG1 4.13Å; V60-V68 WeakPolarHBondContact O-CA 3.27Å; V60-A69 HydrophobicContact CG2-CB 4.09Å; V60-A69 WeakPolarHBondContact CG2-O 3.33Å; V60-A69 PolarHBondContact N-O 3.38Å; V60-A69 PolarHBondContact O-N 2.68Å; V60-F71 HydrophobicContact CG1-CD1 4.04Å; V60-F71 HydrophobicContact CG1-CE1 3.67Å; V60-V74 HydrophobicContact CG2-CG2 3.55Å |
| 61 | E | 89.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.5 | 171.2 | -175.7 | -173.7 | 172.6 | 0 | 0 | 109.6 | T38 V40 F43 D63 V67 V68 R233 R237 | T38-E61 PolarHBondContact N-O 3.33Å; T38-E61 PolarHBondContact O-N 3.16Å; V40-E61 HydrophobicContact CG2-CB 4.01Å; F43-E61 HydrophobicContact CE1-CB 4.27Å; F43-E61 HydrophobicContact CZ-CB 4.3Å; E61-D63 PolarHBondContact O-N 3.44Å; E61-V67 CarbonylContact C-O 3.57Å; E61-V67 WeakPolarHBondContact CA-O 3.44Å; E61-V68 HydrophobicContact CB-CG2 4.31Å; E61-V68 HydrophobicContact CG-CG2 4.05Å; E61-R233 IonicContact OE2-CZ 3.23Å; E61-R233 IonicContact OE2-NH2 3.53Å; E61-R233 PolarHBondContact OE2-NH2 3.33Å; E61-R237 IonicContact OE1-CZ 2.63Å; E61-R237 IonicContact OE1-NE 3.29Å; E61-R237 IonicContact OE1-NH2 3.11Å; E61-R237 PolarHBondContact OE1-NH2 2.97Å |
| 62 | C | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.9 | 173 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | H35 H36 W37 Y64 C65 G66 V67 | H35-C62 VanDerWaalsContact CA-SG 3.6Å; H35-C62 HydrophobicContact CB-CB 4.04Å; H35-C62 PolarHBondContact ND1-SG 3.46Å; H35-C62 VanDerWaalsContact ND1-SG 3.41Å; H36-C62 PolarHBondContact N-SG 2.99Å; H36-C62 CarbonylContact O-C 3.23Å; H36-C62 VanDerWaalsContact O-CA 3.31Å; H36-C62 WeakPolarHBondContact O-CA 3.44Å; W37-C62 HydrophobicContact CE3-CB 4.06Å; W37-C62 HydrophobicContact CH2-CB 4.37Å; W37-C62 HydrophobicContact CZ3-CB 3.93Å; C62-Y64 PolarHBondContact O-N 2.96Å; C62-Y64 VanDerWaalsContact O-N 3.16Å; C62-C65 PolarHBondContact SG-SG 3.38Å; C62-G66 WeakPolarHBondContact O-CA 3.34Å; C62-G66 PolarHBondContact O-N 3.24Å; C62-V67 HydrophobicContact CB-CB 4.37Å; C62-V67 PolarHBondContact N-O 2.98Å |
| 63 | D | 84.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | 179.3 | -78.3 | 3.6 | 0 | 0 | 0 | 113.7 | H36 T38 E61 R233 R236 R237 | H36-D63 HydrophobicContact CB-CB 4.35Å; H36-D63 IonicContact CD2-OD2 3.03Å; H36-D63 PolarHBondContact CD2-OD2 3.41Å; H36-D63 VanDerWaalsContact CD2-OD2 3.23Å; H36-D63 IonicContact NE2-OD2 3.91Å; H36-D63 PolarHBondContact O-N 2.92Å; T38-D63 WeakPolarHBondContact CB-OD1 3.21Å; T38-D63 VanDerWaalsContact OG1-CG 3.23Å; T38-D63 PolarHBondContact OG1-OD1 2.94Å; T38-D63 PolarHBondContact OG1-OD2 2.96Å; E61-D63 PolarHBondContact O-N 3.44Å; D63-R233 HydrophobicContact CB-CG 4.43Å; D63-R233 VanDerWaalsContact OD1-CD 3.27Å; D63-R233 WeakPolarHBondContact OD1-CD 3.48Å; D63-R233 VanDerWaalsContact OD1-CG 3.29Å; D63-R233 WeakPolarHBondContact OD1-CG 3.37Å; D63-R233 IonicContact OD1-NE 3.17Å; D63-R236 HydrophobicContact CB-CB 4.06Å; D63-R236 CarbonylContact O-C 3.6Å; D63-R236 WeakPolarHBondContact O-CB 3.48Å; D63-R236 IonicContact OD2-CZ 3.85Å; D63-R236 IonicContact OD2-NH1 3.43Å; D63-R236 PolarHBondContact OD2-NH1 3.34Å; D63-R237 WeakPolarHBondContact O-CA 3.4Å; D63-R237 PolarHBondContact O-N 3.43Å |
| 64 | Y | 88.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -60.7 | -176.1 | -65.2 | -56.5 | 0 | 0 | 0 | 112.9 | H36 C62 R236 P241 | H36-Y64 HydrophobicContact CB-CD2 3.55Å; H36-Y64 HydrophobicContact CB-CE2 3.37Å; H36-Y64 HydrophobicContact CB-CG 4.47Å; C62-Y64 PolarHBondContact O-N 2.96Å; C62-Y64 VanDerWaalsContact O-N 3.16Å; Y64-R236 HydrophobicContact CD1-CB 3.7Å; Y64-R236 HydrophobicContact CD1-CG 3.95Å; Y64-R236 HydrophobicContact CE1-CB 3.88Å; Y64-R236 HydrophobicContact CE1-CG 3.58Å; Y64-P241 HydrophobicContact CD1-CB 4.17Å; Y64-P241 HydrophobicContact CD1-CG 3.93Å; Y64-P241 HydrophobicContact CE1-CB 3.66Å; Y64-P241 HydrophobicContact CE1-CG 3.96Å; Y64-P241 HydrophobicContact CG-CG 4.42Å |
| 65 | C | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -21.9 | -175.8 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | H35 C62 V67 I97 R124 C126 | H35-C65 VanDerWaalsContact CE1-SG 3.57Å; H35-C65 PolarHBondContact ND1-SG 3.4Å; C62-C65 PolarHBondContact SG-SG 3.38Å; C65-V67 WeakPolarHBondContact SG-CG2 3.14Å; C65-I97 HydrophobicContact CB-CD1 4.01Å; C65-I97 HydrophobicContact CB-CG1 4.29Å; C65-R124 PolarHBondContact O-NH2 3.42Å; C65-C126 HydrophobicContact CB-CB 4.17Å |
| 66 | G | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | 77.4 | 25.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C62 R124 R237 | C62-G66 WeakPolarHBondContact O-CA 3.34Å; C62-G66 PolarHBondContact O-N 3.24Å; G66-R124 PolarHBondContact O-NH2 3.18Å; G66-R237 VanDerWaalsContact CA-CZ 3.41Å; G66-R237 VanDerWaalsContact CA-NH2 3.35Å | ||
| 67 | V | 94.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | trans | -67.3 | 140.1 | 165.2 | 169.1 | 0 | 0 | 0 | 0 | 108.5 | W37 N50 E61 C62 C65 L81 I97 | W37-V67 HydrophobicContact CH2-CB 4.3Å; W37-V67 HydrophobicContact CH2-CG1 3.71Å; W37-V67 HydrophobicContact CZ3-CG1 4.25Å; W37-V67 WeakPolarHBondContact CZ3-O 3.45Å; N50-V67 HydrophobicContact CB-CG1 3.79Å; E61-V67 CarbonylContact C-O 3.57Å; E61-V67 WeakPolarHBondContact CA-O 3.44Å; C62-V67 HydrophobicContact CB-CB 4.37Å; C62-V67 PolarHBondContact N-O 2.98Å; C65-V67 WeakPolarHBondContact SG-CG2 3.14Å; V67-L81 HydrophobicContact CG1-CD1 3.65Å; V67-L81 HydrophobicContact CG2-CD1 4.24Å; V67-I97 HydrophobicContact CG2-CD1 4Å; V67-I97 HydrophobicContact CG2-CG2 3.94Å | ||
| 68 | V | 93.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.9 | 176 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | F43 V47 N50 M56 V60 E61 | F43-V68 HydrophobicContact CE1-CG1 4.24Å; F43-V68 HydrophobicContact CE1-CG2 4.34Å; F43-V68 HydrophobicContact CE2-CG1 3.96Å; F43-V68 HydrophobicContact CZ-CG1 3.64Å; F43-V68 HydrophobicContact CZ-CG2 4.44Å; V47-V68 HydrophobicContact CG1-CB 4.33Å; V47-V68 HydrophobicContact CG1-CG1 3.79Å; V47-V68 HydrophobicContact CG1-CG2 4.15Å; N50-V68 WeakPolarHBondContact CB-O 3.34Å; N50-V68 PolarHBondContact N-O 2.9Å; N50-V68 PolarHBondContact OD1-N 3.07Å; N50-V68 PolarHBondContact OD1-O 3.35Å; M56-V68 HydrophobicContact CE-CG1 4.15Å; M56-V68 HydrophobicContact SD-CG1 3.87Å; V60-V68 WeakPolarHBondContact O-CA 3.27Å; E61-V68 HydrophobicContact CB-CG2 4.31Å; E61-V68 HydrophobicContact CG-CG2 4.05Å |
| 69 | A | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W37 M56 V60 C73 V74 A77 | W37-A69 HydrophobicContact CH2-CB 3.89Å; W37-A69 HydrophobicContact CZ3-CB 3.99Å; M56-A69 WeakPolarHBondContact CE-O 3.47Å; V60-A69 HydrophobicContact CG2-CB 4.09Å; V60-A69 WeakPolarHBondContact CG2-O 3.33Å; V60-A69 PolarHBondContact N-O 3.38Å; V60-A69 PolarHBondContact O-N 2.68Å; A69-C73 HydrophobicContact CB-CB 4.42Å; A69-V74 HydrophobicContact CB-CG2 4.46Å; A69-A77 HydrophobicContact CB-CB 4.13Å |
| 70 | D | 87.9 | Confident | 88.7 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | trans | -70.5 | 164.3 | 163.5 | 67.4 | 60.6 | 0 | 0 | 0 | 109.7 | C52 M56 V72 C73 V74 | C52-D70 PolarHBondContact SG-OD2 2.84Å; M56-D70 VanDerWaalsContact CE-CA 3.45Å; M56-D70 HydrophobicContact CE-CB 3.81Å; M56-D70 HydrophobicContact SD-CB 4.1Å; D70-V72 PolarHBondContact O-N 3.02Å; D70-V72 VanDerWaalsContact O-N 3.15Å; D70-V72 WeakPolarHBondContact OD1-CA 3.42Å; D70-V72 VanDerWaalsContact OD1-CB 3.31Å; D70-V72 WeakPolarHBondContact OD1-CB 3.32Å; D70-V72 PolarHBondContact OD1-N 3.42Å; D70-C73 PolarHBondContact O-N 2.95Å; D70-C73 VanDerWaalsContact O-N 3.14Å; D70-C73 WeakPolarHBondContact OD1-CB 3.41Å; D70-C73 PolarHBondContact OD1-N 3.43Å; D70-C73 PolarHBondContact OD2-SG 3.17Å; D70-C73 VanDerWaalsContact OD2-SG 3.34Å; D70-V74 VanDerWaalsContact O-CG2 3.24Å; D70-V74 WeakPolarHBondContact O-CG2 3.41Å; D70-V74 PolarHBondContact O-N 3.43Å | ||
| 71 | F | 85.4 | Confident | 88.9 | Confident | 105 Ų | 105 | 45.5 Ų | 45.5 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.1 | -176.4 | -67.7 | -66.4 | 0 | 0 | 0 | 113.8 | I39 Y58 V60 | I39-F71 HydrophobicContact CD1-CE1 4.49Å; I39-F71 HydrophobicContact CG1-CE1 4.23Å; I39-F71 HydrophobicContact CG2-CZ 4.2Å; Y58-F71 HydrophobicContact CD2-CD2 4.37Å; Y58-F71 AromaticContact CD2-CE2 3.76Å; Y58-F71 HydrophobicContact CD2-CE2 3.76Å; Y58-F71 HydrophobicContact CE2-CD2 4.21Å; Y58-F71 AromaticContact CE2-CE2 3.96Å; Y58-F71 HydrophobicContact CE2-CE2 3.96Å; V60-F71 HydrophobicContact CG1-CD1 4.04Å; V60-F71 HydrophobicContact CG1-CE1 3.67Å |
| 72 | V | 86.6 | Confident | 88.9 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 78% | 0.776 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -33.5 | 179.8 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | D70 | D70-V72 PolarHBondContact O-N 3.02Å; D70-V72 VanDerWaalsContact O-N 3.15Å; D70-V72 WeakPolarHBondContact OD1-CA 3.42Å; D70-V72 VanDerWaalsContact OD1-CB 3.31Å; D70-V72 WeakPolarHBondContact OD1-CB 3.32Å; D70-V72 PolarHBondContact OD1-N 3.42Å |
| 73 | C | 90.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.081 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.6 | -178.5 | -75.3 | 0 | 0 | 0 | 0 | 114.7 | I51 A69 D70 K75 N76 A77 | I51-C73 HydrophobicContact CB-CB 3.9Å; I51-C73 HydrophobicContact CG1-CB 4.19Å; I51-C73 HydrophobicContact CG2-CB 4.19Å; A69-C73 HydrophobicContact CB-CB 4.42Å; D70-C73 PolarHBondContact O-N 2.95Å; D70-C73 VanDerWaalsContact O-N 3.14Å; D70-C73 WeakPolarHBondContact OD1-CB 3.41Å; D70-C73 PolarHBondContact OD1-N 3.43Å; D70-C73 PolarHBondContact OD2-SG 3.17Å; D70-C73 VanDerWaalsContact OD2-SG 3.34Å; C73-K75 VanDerWaalsContact C-N 3.3Å; C73-K75 PolarHBondContact O-N 3.3Å; C73-N76 PolarHBondContact O-N 2.85Å; C73-N76 VanDerWaalsContact O-N 3.08Å; C73-A77 PolarHBondContact O-N 3.17Å |
| 74 | V | 84.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.3 | -47.5 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | W37 V60 A69 D70 N76 A77 D78 | W37-V74 HydrophobicContact CD2-CG1 4.24Å; W37-V74 HydrophobicContact CG-CG1 4.13Å; W37-V74 HydrophobicContact CZ2-CG1 4.47Å; V60-V74 HydrophobicContact CG2-CG2 3.55Å; A69-V74 HydrophobicContact CB-CG2 4.46Å; D70-V74 VanDerWaalsContact O-CG2 3.24Å; D70-V74 WeakPolarHBondContact O-CG2 3.41Å; D70-V74 PolarHBondContact O-N 3.43Å; V74-N76 VanDerWaalsContact C-N 3.33Å; V74-N76 PolarHBondContact O-N 3.14Å; V74-A77 WeakPolarHBondContact O-CB 3.34Å; V74-A77 PolarHBondContact O-N 3.05Å; V74-D78 PolarHBondContact O-N 3.32Å |
| 75 | K | 84.7 | Confident | 88.7 | Confident | 152 Ų | 152 | 51.2 Ų | 51.2 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | -179.8 | -172.7 | 178.8 | 179.8 | -177.9 | 0 | 112.4 | C73 D78 N79 | C73-K75 VanDerWaalsContact C-N 3.3Å; C73-K75 PolarHBondContact O-N 3.3Å; K75-D78 PolarHBondContact O-N 2.98Å; K75-N79 PolarHBondContact O-N 3.43Å; K75-N79 PolarHBondContact O-ND2 3.03Å; K75-N79 VanDerWaalsContact O-ND2 3.1Å |
| 76 | N | 88.9 | Confident | 88 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 176.1 | -65.2 | -4.7 | 0 | 0 | 0 | 110.1 | I51 C73 V74 D78 N79 D80 | I51-N76 HydrophobicContact CG1-CB 4.49Å; I51-N76 HydrophobicContact CG2-CB 3.96Å; C73-N76 PolarHBondContact O-N 2.85Å; C73-N76 VanDerWaalsContact O-N 3.08Å; V74-N76 VanDerWaalsContact C-N 3.33Å; V74-N76 PolarHBondContact O-N 3.14Å; N76-D78 PolarHBondContact O-N 3.11Å; N76-N79 PolarHBondContact O-N 3.37Å; N76-D80 VanDerWaalsContact O-CB 3.25Å; N76-D80 WeakPolarHBondContact O-CB 3.34Å; N76-D80 VanDerWaalsContact O-CG 3.25Å; N76-D80 PolarHBondContact O-N 2.83Å |
| 77 | A | 88.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H35 W37 I51 A69 C73 V74 N79 L81 | H35-A77 PolarHBondContact NE2-O 3.29Å; W37-A77 HydrophobicContact CH2-CB 3.75Å; W37-A77 HydrophobicContact CZ2-CB 3.65Å; I51-A77 HydrophobicContact CD1-CB 4.09Å; I51-A77 HydrophobicContact CG1-CB 3.86Å; A69-A77 HydrophobicContact CB-CB 4.13Å; C73-A77 PolarHBondContact O-N 3.17Å; V74-A77 WeakPolarHBondContact O-CB 3.34Å; V74-A77 PolarHBondContact O-N 3.05Å; A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 3.38Å; A77-L81 HydrophobicContact CB-CD1 4.42Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.5Å; A77-L81 VanDerWaalsContact O-N 3.14Å |
| 78 | D | 84.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -29.4 | 175.2 | -73.9 | -27.6 | 0 | 0 | 0 | 113.3 | H35 W37 V74 K75 N76 | H35-D78 IonicContact CD2-OD1 2.83Å; H35-D78 PolarHBondContact CD2-OD1 2.93Å; H35-D78 IonicContact CG-OD1 3.06Å; W37-D78 PolarHBondContact NE1-OD1 3.17Å; W37-D78 PolarHBondContact NE1-OD2 2.98Å; V74-D78 PolarHBondContact O-N 3.32Å; K75-D78 PolarHBondContact O-N 2.98Å; N76-D78 PolarHBondContact O-N 3.11Å |
| 79 | N | 87.4 | Confident | 86.7 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -89 | -42.6 | 179.8 | -67.5 | -31.4 | 0 | 0 | 0 | 113.3 | K75 N76 A77 | K75-N79 PolarHBondContact O-N 3.43Å; K75-N79 PolarHBondContact O-ND2 3.03Å; K75-N79 VanDerWaalsContact O-ND2 3.1Å; N76-N79 PolarHBondContact O-N 3.37Å; A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 3.38Å |
| 80 | D | 91.1 | Very high | 86.5 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -95.8 | -24.4 | -165.7 | -58.7 | -22.4 | 0 | 0 | 0 | 112.5 | I51 N76 | I51-D80 HydrophobicContact CD1-CB 4.48Å; N76-D80 VanDerWaalsContact O-CB 3.25Å; N76-D80 WeakPolarHBondContact O-CB 3.34Å; N76-D80 VanDerWaalsContact O-CG 3.25Å; N76-D80 PolarHBondContact O-N 2.83Å |
| 81 | L | 91.4 | Very high | 86.6 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -113.6 | 118.4 | -177.8 | -57.8 | 177.4 | 0 | 0 | 0 | 110.5 | H35 N50 I51 V67 A77 | H35-L81 PolarHBondContact NE2-O 2.93Å; N50-L81 HydrophobicContact CB-CD1 3.91Å; I51-L81 HydrophobicContact CD1-CD1 3.69Å; I51-L81 HydrophobicContact CD1-CG 3.89Å; I51-L81 HydrophobicContact CG1-CD1 4.45Å; V67-L81 HydrophobicContact CG1-CD1 3.65Å; V67-L81 HydrophobicContact CG2-CD1 4.24Å; A77-L81 HydrophobicContact CB-CD1 4.42Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.5Å; A77-L81 VanDerWaalsContact O-N 3.14Å |
| 82 | V | 89.9 | Confident | 86.8 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | trans | -70.4 | 134.5 | 174.5 | -176 | 0 | 0 | 0 | 0 | 109.3 | Q85 H95 | V82-Q85 HydrophobicContact CG1-CG 4.29Å; V82-H95 PolarHBondContact O-CE1 3.35Å; V82-H95 PolarHBondContact O-NE2 3.06Å; V82-H95 VanDerWaalsContact O-NE2 3.14Å | ||
| 83 | C | 89.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.034 | 35% | 0.351 | C | S | . | . | trans | -89.1 | 178 | 175.3 | -160.4 | 0 | 0 | 0 | 0 | 112.2 | S33 H35 Q85 H95 | S33-C83 WeakPolarHBondContact O-CB 3.15Å; H35-C83 PolarHBondContact ND1-SG 2.84Å; C83-Q85 PolarHBondContact O-N 3.02Å; C83-H95 PolarHBondContact O-CE1 3.36Å | ||
| 84 | K | 86 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -64 | 104.2 | 179.1 | -173.3 | 178.7 | -171.5 | 176.6 | 0 | 110.3 | S33 W127 R237 L238 L239 | S33-K84 WeakPolarHBondContact CB-O 3.21Å; S33-K84 PolarHBondContact OG-O 3.01Å; K84-W127 HydrophobicContact CD-CE3 4.45Å; K84-W127 HydrophobicContact CD-CH2 4.15Å; K84-W127 HydrophobicContact CD-CZ2 4.29Å; K84-W127 HydrophobicContact CD-CZ3 4.25Å; K84-W127 VanDerWaalsContact CE-CH2 3.48Å; K84-W127 HydrophobicContact CG-CD2 4.3Å; K84-W127 HydrophobicContact CG-CE3 4.5Å; K84-W127 HydrophobicContact CG-CH2 3.67Å; K84-W127 HydrophobicContact CG-CZ2 3.4Å; K84-W127 VanDerWaalsContact CG-CZ2 3.4Å; K84-W127 HydrophobicContact CG-CZ3 4.23Å; K84-R237 PolarHBondContact NZ-O 3.25Å; K84-L238 VanDerWaalsContact NZ-C 3.26Å; K84-L238 PolarHBondContact NZ-O 3.31Å; K84-L239 VanDerWaalsContact CE-O 3.32Å; K84-L239 WeakPolarHBondContact CE-O 3.22Å; K84-L239 PolarHBondContact NZ-O 3.16Å | ||
| 85 | Q | 83 | Confident | 87.7 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | trans | -69.3 | 143.6 | -174.6 | -65 | 176.9 | -51.7 | 0 | 0 | 113.4 | S33 V82 C83 I88 W127 | S33-Q85 WeakPolarHBondContact OG-CA 3.41Å; V82-Q85 HydrophobicContact CG1-CG 4.29Å; C83-Q85 PolarHBondContact O-N 3.02Å; Q85-I88 HydrophobicContact CB-CD1 4.5Å; Q85-I88 HydrophobicContact CB-CG1 4.11Å; Q85-W127 WeakPolarHBondContact O-CH2 3.32Å; Q85-W127 VanDerWaalsContact O-CZ2 3.23Å; Q85-W127 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 86 | V | 78.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -69.1 | -43.9 | 175.2 | 162 | 0 | 0 | 0 | 0 | 112.3 | S33 P165 N240 P241 L242 | S33-V86 PolarHBondContact OG-N 3.07Å; V86-P165 WeakPolarHBondContact O-CA 3.27Å; V86-P165 WeakPolarHBondContact O-CB 3.44Å; V86-N240 PolarHBondContact O-ND2 3.36Å; V86-P241 HydrophobicContact CG2-CB 3.87Å; V86-P241 HydrophobicContact CG2-CG 4.09Å; V86-L242 HydrophobicContact CB-CG 4.41Å; V86-L242 HydrophobicContact CG1-CD1 3.31Å; V86-L242 HydrophobicContact CG1-CD2 4.01Å; V86-L242 HydrophobicContact CG1-CG 3.39Å; V86-L242 HydrophobicContact CG2-CG 4.22Å |
| 87 | S | 81 | Confident | 88.5 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | trans | -133 | 140 | -177.1 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | P165 V168 | S87-P165 WeakPolarHBondContact CA-O 3.38Å; S87-V168 WeakPolarHBondContact CB-O 3.47Å; S87-V168 PolarHBondContact OG-O 3.31Å | ||
| 88 | I | 86 | Confident | 88.8 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | trans | -130 | 131.5 | 177.8 | -67.6 | 176.7 | 0 | 0 | 0 | 108.9 | Q85 L92 P165 N166 | Q85-I88 HydrophobicContact CB-CD1 4.5Å; Q85-I88 HydrophobicContact CB-CG1 4.11Å; I88-L92 HydrophobicContact CD1-CD1 3.96Å; I88-P165 HydrophobicContact CB-CB 4.34Å; I88-P165 HydrophobicContact CB-CG 4.47Å; I88-P165 HydrophobicContact CD1-CB 4.12Å; I88-P165 HydrophobicContact CD1-CG 3.72Å; I88-P165 HydrophobicContact CG1-CB 3.99Å; I88-P165 HydrophobicContact CG1-CG 4.12Å; I88-P165 PolarHBondContact N-O 3.31Å; I88-N166 WeakPolarHBondContact O-CA 3.38Å | ||
| 89 | K | 84 | Confident | 89.2 | Confident | 210 Ų | 210 | 58 Ų | 58 | 91% | 0.913 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -81.8 | 127.2 | 169.9 | -66.9 | -177.1 | 178.8 | 179 | 0 | 109.5 | ||
| 90 | G | 87 | Confident | 89.4 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 61% | 0.608 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 98 | -150.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N166 | G90-N166 WeakPolarHBondContact O-CB 3.32Š|
| 91 | Q | 89.4 | Confident | 89.4 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -78.8 | 143.8 | -179.2 | -67.3 | -178.2 | -29.6 | 0 | 0 | 111.1 | V93 L143 | Q91-V93 PolarHBondContact O-N 2.88Å; Q91-L143 HydrophobicContact CB-CD2 3.78Å |
| 92 | L | 91.1 | Very high | 89 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | trans | -76.5 | 114.5 | 176.4 | -179.4 | 66.6 | 0 | 0 | 0 | 110.2 | I88 L143 C144 L146 P165 | I88-L92 HydrophobicContact CD1-CD1 3.96Å; L92-L143 WeakPolarHBondContact O-CA 3.46Å; L92-C144 HydrophobicContact CD2-CB 4.22Å; L92-C144 HydrophobicContact CG-CB 4.06Å; L92-C144 PolarHBondContact O-N 2.91Å; L92-L146 HydrophobicContact CD2-CD1 4.15Å; L92-L146 HydrophobicContact CD2-CD2 3.48Å; L92-L146 VanDerWaalsContact CD2-CD2 3.48Å; L92-L146 HydrophobicContact CD2-CG 3.61Å; L92-P165 HydrophobicContact CD1-CG 3.6Å | ||
| 93 | V | 93.5 | Very high | 88.6 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 159 | 171.9 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | Q91 H95 A142 L143 | Q91-V93 PolarHBondContact O-N 2.88Å; V93-H95 PolarHBondContact O-N 2.96Å; V93-A142 CarbonylContact C-O 3.5Å; V93-A142 VanDerWaalsContact CA-O 3.27Å; V93-A142 WeakPolarHBondContact CA-O 3.14Å; V93-A142 WeakPolarHBondContact CB-O 3.28Å; V93-L143 HydrophobicContact CG1-CD2 4.21Å |
| 94 | H | 93.4 | Very high | 88.3 | Confident | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.069 | 31% | 0.311 | C | S | . | . | trans | -62.4 | 134.3 | 171.8 | -75.8 | -92.5 | 0 | 0 | 0 | 111 | W96 C125 C128 F140 A142 L143 C144 | H94-W96 HydrophobicContact CB-CD2 4.15Å; H94-W96 HydrophobicContact CB-CG 4.49Å; H94-W96 HydrophobicContact CB-CH2 4.48Å; H94-W96 HydrophobicContact CB-CZ2 3.56Å; H94-W96 VanDerWaalsContact CB-NE1 3.26Å; H94-W96 AromaticContact CG-CE2 3.86Å; H94-W96 AromaticContact CG-CZ2 3.48Å; H94-W96 VanDerWaalsContact CG-CZ2 3.48Å; H94-W96 AromaticContact ND1-CH2 3.73Å; H94-W96 AromaticContact ND1-CZ2 3.52Å; H94-C125 HydrophobicContact CB-CB 4.48Å; H94-C125 PolarHBondContact ND1-SG 3.38Å; H94-C128 PolarHBondContact CE1-SG 3.45Å; H94-C128 PolarHBondContact ND1-SG 3.46Å; H94-F140 AromaticContact NE2-CE1 3.61Å; H94-A142 PolarHBondContact N-O 3.48Å; H94-L143 PolarHBondContact CD2-O 3.41Å; H94-L143 PolarHBondContact NE2-O 3.23Å; H94-C144 HydrophobicContact CB-CB 4.39Å; H94-C144 WeakPolarHBondContact NE2-CA 3.28Å | ||
| 95 | H | 93.7 | Very high | 88.4 | Confident | 42 Ų | 42 | 59 Ų | 59 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | trans | -106.3 | 98 | 171.5 | -176.6 | 165.1 | 0 | 0 | 0 | 108.3 | V82 C83 V93 C125 C126 | V82-H95 PolarHBondContact O-CE1 3.35Å; V82-H95 PolarHBondContact O-NE2 3.06Å; V82-H95 VanDerWaalsContact O-NE2 3.14Å; C83-H95 PolarHBondContact O-CE1 3.36Å; V93-H95 PolarHBondContact O-N 2.96Å; H95-C125 CarbonylContact O-C 3.6Å; H95-C125 VanDerWaalsContact O-CA 3.27Å; H95-C125 WeakPolarHBondContact O-CA 3.49Å; H95-C126 PolarHBondContact O-N 3.29Å | ||
| 96 | W | 95.1 | Very high | 88.7 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.9 | -175.1 | -61.5 | 110.4 | 0 | 0 | 0 | 112.2 | H94 Y123 C125 R130 I132 L137 F140 | H94-W96 HydrophobicContact CB-CD2 4.15Å; H94-W96 HydrophobicContact CB-CG 4.49Å; H94-W96 HydrophobicContact CB-CH2 4.48Å; H94-W96 HydrophobicContact CB-CZ2 3.56Å; H94-W96 VanDerWaalsContact CB-NE1 3.26Å; H94-W96 AromaticContact CG-CE2 3.86Å; H94-W96 AromaticContact CG-CZ2 3.48Å; H94-W96 VanDerWaalsContact CG-CZ2 3.48Å; H94-W96 AromaticContact ND1-CH2 3.73Å; H94-W96 AromaticContact ND1-CZ2 3.52Å; W96-Y123 HydrophobicContact CB-CD1 3.91Å; W96-Y123 HydrophobicContact CB-CG 4.36Å; W96-C125 HydrophobicContact CD2-CB 4.3Å; W96-C125 HydrophobicContact CE3-CB 3.74Å; W96-C125 VanDerWaalsContact CE3-N 3.28Å; W96-C125 HydrophobicContact CH2-CB 4.03Å; W96-C125 HydrophobicContact CZ3-CB 3.59Å; W96-R130 WeakPolarHBondContact CZ3-O 3.29Å; W96-I132 HydrophobicContact CD2-CG2 4.46Å; W96-I132 HydrophobicContact CE3-CG2 3.89Å; W96-I132 HydrophobicContact CH2-CB 4.27Å; W96-I132 HydrophobicContact CH2-CG2 3.61Å; W96-I132 HydrophobicContact CZ2-CG2 4.19Å; W96-I132 HydrophobicContact CZ3-CB 4.3Å; W96-I132 HydrophobicContact CZ3-CG2 3.43Å; W96-I132 VanDerWaalsContact CZ3-CG2 3.43Å; W96-L137 HydrophobicContact CD2-CD1 4.15Å; W96-L137 HydrophobicContact CG-CD1 4.41Å; W96-L137 HydrophobicContact CZ2-CD1 3.87Å; W96-F140 HydrophobicContact CZ2-CD1 4.12Å; W96-F140 HydrophobicContact CZ2-CE1 4.34Å |
| 97 | I | 95 | Very high | 89.4 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.5 | 169.8 | -53.5 | -55.8 | 0 | 0 | 0 | 107.6 | C65 V67 Y123 R124 C126 | C65-I97 HydrophobicContact CB-CD1 4.01Å; C65-I97 HydrophobicContact CB-CG1 4.29Å; V67-I97 HydrophobicContact CG2-CD1 4Å; V67-I97 HydrophobicContact CG2-CG2 3.94Å; I97-Y123 WeakPolarHBondContact O-CA 3.07Å; I97-R124 PolarHBondContact N-O 2.92Å; I97-R124 PolarHBondContact O-N 3.41Å; I97-C126 HydrophobicContact CG1-CB 4.16Å |
| 98 | H | 94.8 | Very high | 89.7 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 27% | 0.269 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.4 | -176.9 | -171 | -139.9 | 0 | 0 | 0 | 111.3 | N50 L120 D122 Y123 E134 | N50-H98 PolarHBondContact ND2-O 2.7Å; H98-L120 PolarHBondContact CE1-O 3.37Å; H98-L120 WeakPolarHBondContact ND1-CB 3.26Å; H98-L120 PolarHBondContact NE2-O 3.13Å; H98-D122 PolarHBondContact CD2-O 3.46Å; H98-D122 VanDerWaalsContact CD2-O 3.24Å; H98-Y123 HydrophobicContact CB-CD1 4.05Å; H98-Y123 HydrophobicContact CB-CE1 3.77Å; H98-Y123 AromaticContact CD2-CE1 3.53Å; H98-Y123 AromaticContact CD2-CZ 3.53Å; H98-Y123 AromaticContact CG-CE1 3.88Å; H98-E134 IonicContact CD2-OE1 3.82Å; H98-E134 IonicContact CE1-OE1 3.33Å; H98-E134 IonicContact NE2-OE1 3.21Å; H98-E134 PolarHBondContact NE2-OE1 3.02Å |
| 99 | G | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 66.3 | -172.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L101 V121 D122 | G99-L101 VanDerWaalsContact C-N 3.3Å; G99-L101 PolarHBondContact O-N 3.36Å; G99-V121 WeakPolarHBondContact CA-O 3.45Å; G99-D122 PolarHBondContact N-O 3.4Å |
| 100 | N | 91.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | trans | 52.8 | 44.3 | -179 | -58.9 | -41.4 | 0 | 0 | 0 | 113 | V47 Y48 N50 R124 | V47-N100 WeakPolarHBondContact CA-OD1 3.42Å; Y48-N100 PolarHBondContact N-OD1 2.84Å; Y48-N100 PolarHBondContact O-ND2 2.83Å; N50-N100 PolarHBondContact OD1-ND2 3.18Å; N100-R124 PolarHBondContact O-NH1 2.84Å | ||
| 101 | L | 90.6 | Very high | 90.3 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 149.4 | 178.4 | -74.1 | 72.8 | 0 | 0 | 0 | 110.6 | G99 C114 V121 D122 T131 | G99-L101 VanDerWaalsContact C-N 3.3Å; G99-L101 PolarHBondContact O-N 3.36Å; L101-C114 HydrophobicContact CD2-CB 4.48Å; L101-V121 WeakPolarHBondContact CD1-O 3.4Å; L101-D122 HydrophobicContact CD1-CB 4.24Å; L101-D122 HydrophobicContact CD2-CB 3.96Å; L101-T131 HydrophobicContact CD2-CG2 3.68Å; L101-T131 HydrophobicContact CG-CG2 4.05Å |
| 102 | P | 84.1 | Confident | 90.4 | Very high | 73 Ų | 73 | 54 Ų | 54 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 147.9 | 168.7 | -24.3 | 33.7 | 0 | 0 | 0 | 112.2 | N104 S105 | P102-N104 PolarHBondContact O-N 2.93Å; P102-S105 WeakPolarHBondContact CD-OG 3.22Å; P102-S105 WeakPolarHBondContact O-CB 3.48Å; P102-S105 PolarHBondContact O-N 3.11Å; P102-S105 PolarHBondContact O-OG 3.38Å |
| 103 | I | 80.5 | Confident | 90.3 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 67% | 0.672 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 139.2 | 173 | -62.2 | 166.9 | 0 | 0 | 0 | 109 | K44 S105 | K44-I103 HydrophobicContact CD-CD1 4.47Å; I103-S105 VanDerWaalsContact C-N 3.34Å |
| 104 | N | 83.2 | Confident | 90.2 | Very high | 137 Ų | 137 | 55.2 Ų | 55.2 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 36.3 | -176.2 | -51.6 | -22 | 0 | 0 | 0 | 113.5 | P102 | P102-N104 PolarHBondContact O-N 2.93Š|
| 105 | S | 88.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136 | 171.5 | -71.6 | 0 | 0 | 0 | 0 | 110.8 | P102 I103 D113 C114 | P102-S105 WeakPolarHBondContact CD-OG 3.22Å; P102-S105 WeakPolarHBondContact O-CB 3.48Å; P102-S105 PolarHBondContact O-N 3.11Å; P102-S105 PolarHBondContact O-OG 3.38Å; I103-S105 VanDerWaalsContact C-N 3.34Å; S105-D113 WeakPolarHBondContact O-CA 3.49Å; S105-C114 VanDerWaalsContact C-SG 3.54Å; S105-C114 PolarHBondContact O-N 2.88Å; S105-C114 PolarHBondContact O-SG 2.82Å |
| 106 | I | 89.9 | Confident | 88.9 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134 | -179.2 | -60.8 | 173.1 | 0 | 0 | 0 | 108.8 | C108 C114 T131 F153 | I106-C108 PolarHBondContact O-N 3.4Å; I106-C114 VanDerWaalsContact C-SG 3.55Å; I106-T131 PolarHBondContact O-OG1 3.34Å; I106-F153 HydrophobicContact CD1-CD1 4.09Å; I106-F153 HydrophobicContact CD1-CE1 3.35Å; I106-F153 HydrophobicContact CD1-CZ 3.66Å |
| 107 | C | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 122.8 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | A109 C110 E111 K112 C114 T131 H133 | C107-A109 PolarHBondContact O-N 2.96Å; C107-A109 VanDerWaalsContact O-N 3.09Å; C107-C110 VanDerWaalsContact SG-SG 3.6Å; C107-E111 VanDerWaalsContact O-CA 3.28Å; C107-E111 WeakPolarHBondContact O-CA 3.44Å; C107-E111 PolarHBondContact O-N 2.93Å; C107-K112 WeakPolarHBondContact CB-O 3.29Å; C107-K112 PolarHBondContact N-O 2.84Å; C107-C114 HydrophobicContact CB-CB 4.21Å; C107-C114 PolarHBondContact N-SG 3.32Å; C107-T131 CarbonylContact C-O 3.58Å; C107-T131 WeakPolarHBondContact CA-O 3.44Å; C107-H133 VanDerWaalsContact CB-CE1 3.42Å; C107-H133 WeakPolarHBondContact CB-CE1 3.36Å; C107-H133 WeakPolarHBondContact CB-ND1 3.45Å; C107-H133 PolarHBondContact SG-N 3.34Å; C107-H133 VanDerWaalsContact SG-N 3.41Å; C107-H133 PolarHBondContact SG-ND1 3.41Å |
| 108 | C | 88.6 | Confident | 87.2 | Confident | 48 Ų | 48 | 63 Ų | 63 | 32% | 0.324 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -2.5 | -178.3 | 67.3 | 0 | 0 | 0 | 0 | 114.9 | I106 R130 T131 | I106-C108 PolarHBondContact O-N 3.4Å; C108-R130 HydrophobicContact CB-CB 4.16Å; C108-R130 HydrophobicContact CB-CG 4.19Å; C108-T131 PolarHBondContact N-O 3.13Å; C108-T131 PolarHBondContact SG-O 3.34Å |
| 109 | A | 89.9 | Confident | 86.8 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -33 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C107 I132 C136 F140 | C107-A109 PolarHBondContact O-N 2.96Å; C107-A109 VanDerWaalsContact O-N 3.09Å; A109-I132 HydrophobicContact CB-CD1 4.09Å; A109-I132 HydrophobicContact CB-CG1 4.37Å; A109-C136 HydrophobicContact CB-CB 3.78Å; A109-F140 HydrophobicContact CB-CD2 4.13Å |
| 110 | C | 90.8 | Very high | 86.7 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 32% | 0.324 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -3.5 | -176.4 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | C107 K112 H133 | C107-C110 VanDerWaalsContact SG-SG 3.6Å; C110-K112 PolarHBondContact O-N 2.76Å; C110-K112 VanDerWaalsContact O-N 3.16Å; C110-H133 VanDerWaalsContact SG-CE1 3.59Å; C110-H133 PolarHBondContact SG-ND1 2.88Å |
| 111 | E | 88.6 | Confident | 86.7 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | trans | 62.8 | 18 | 176.4 | -56.4 | 178.5 | 174.8 | 0 | 0 | 115.4 | C107 | C107-E111 VanDerWaalsContact O-CA 3.28Å; C107-E111 WeakPolarHBondContact O-CA 3.44Å; C107-E111 PolarHBondContact O-N 2.93Å | ||
| 112 | K | 90.9 | Very high | 86.9 | Confident | 147 Ų | 147 | 62 Ų | 62 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -99.2 | 157.3 | 174.3 | -61.8 | 177.7 | -176.9 | -179.7 | 0 | 111.3 | C107 C110 | C107-K112 WeakPolarHBondContact CB-O 3.29Å; C107-K112 PolarHBondContact N-O 2.84Å; C110-K112 PolarHBondContact O-N 2.76Å; C110-K112 VanDerWaalsContact O-N 3.16Å |
| 113 | D | 90.3 | Very high | 87.4 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 137.6 | 175.4 | -64.2 | -34.6 | 0 | 0 | 0 | 111.7 | S105 H133 | S105-D113 WeakPolarHBondContact O-CA 3.49Å; D113-H133 PolarHBondContact O-CE1 2.75Å; D113-H133 VanDerWaalsContact O-CE1 3.31Å; D113-H133 PolarHBondContact O-NE2 3.16Å |
| 114 | C | 89.5 | Confident | 88 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160.2 | -179.6 | 65.1 | 0 | 0 | 0 | 0 | 111 | L101 S105 I106 C107 S116 D122 H133 | L101-C114 HydrophobicContact CD2-CB 4.48Å; S105-C114 VanDerWaalsContact C-SG 3.54Å; S105-C114 PolarHBondContact O-N 2.88Å; S105-C114 PolarHBondContact O-SG 2.82Å; I106-C114 VanDerWaalsContact C-SG 3.55Å; C107-C114 HydrophobicContact CB-CB 4.21Å; C107-C114 PolarHBondContact N-SG 3.32Å; C114-S116 VanDerWaalsContact C-N 3.32Å; C114-D122 WeakPolarHBondContact CA-OD2 3.39Å; C114-D122 HydrophobicContact CB-CB 4.45Å; C114-D122 WeakPolarHBondContact CB-OD2 3.45Å; C114-H133 WeakPolarHBondContact CA-NE2 3.5Å; C114-H133 VanDerWaalsContact CB-CD2 3.44Å; C114-H133 WeakPolarHBondContact CB-CD2 3.37Å; C114-H133 WeakPolarHBondContact CB-NE2 3.49Å |
| 115 | G | 85.8 | Confident | 88.5 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 81.1 | 10.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | D122 | G115-D122 PolarHBondContact N-OD2 3.16Š|
| 116 | S | 74.7 | Confident | 88.7 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 67% | 0.671 | 30% | 0.297 | S | S | * | . | trans | -91.4 | 97.1 | 176.7 | 33 | 0 | 0 | 0 | 0 | 110.7 | C114 | C114-S116 VanDerWaalsContact C-N 3.32Š| ||
| 117 | G | 74 | Confident | 88.7 | Confident | 41 Ų | 41 | 46.5 Ų | 46.5 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 172.6 | 162.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 118 | P | 79.8 | Confident | 88.6 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 75% | 0.753 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.2 | 138.6 | 171.6 | 30.3 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 119 | G | 86.8 | Confident | 88.6 | Confident | 22 Ų | 22 | 46 Ų | 46 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 89.3 | -165.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y48 V121 | Y48-G119 WeakPolarHBondContact CD2-O 3.25Å; Y48-G119 VanDerWaalsContact CE2-N 3.26Å; Y48-G119 PolarHBondContact OH-N 3.45Å; G119-V121 PolarHBondContact O-N 2.81Å |
| 120 | L | 91.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.2 | 109.8 | 172.3 | -59.6 | 169.6 | 0 | 0 | 0 | 108.4 | H98 | H98-L120 PolarHBondContact CE1-O 3.37Å; H98-L120 WeakPolarHBondContact ND1-CB 3.26Å; H98-L120 PolarHBondContact NE2-O 3.13Å |
| 121 | V | 91.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | trans | -127 | 138.7 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | G99 L101 G119 | G99-V121 WeakPolarHBondContact CA-O 3.45Å; L101-V121 WeakPolarHBondContact CD1-O 3.4Å; G119-V121 PolarHBondContact O-N 2.81Å | ||
| 122 | D | 94.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 63.9 | 179.8 | 176.8 | -58.9 | -34.5 | 0 | 0 | 0 | 113.8 | H98 G99 L101 C114 G115 I132 H133 E134 | H98-D122 PolarHBondContact CD2-O 3.46Å; H98-D122 VanDerWaalsContact CD2-O 3.24Å; G99-D122 PolarHBondContact N-O 3.4Å; L101-D122 HydrophobicContact CD1-CB 4.24Å; L101-D122 HydrophobicContact CD2-CB 3.96Å; C114-D122 WeakPolarHBondContact CA-OD2 3.39Å; C114-D122 HydrophobicContact CB-CB 4.45Å; C114-D122 WeakPolarHBondContact CB-OD2 3.45Å; G115-D122 PolarHBondContact N-OD2 3.16Å; D122-I132 WeakPolarHBondContact CB-O 3.45Å; D122-H133 WeakPolarHBondContact OD1-CA 3.33Å; D122-H133 IonicContact OD1-CD2 3.27Å; D122-H133 IonicContact OD2-CD2 3.62Å; D122-H133 PolarHBondContact OD2-CD2 3.46Å; D122-H133 VanDerWaalsContact OD2-CD2 3.31Å; D122-E134 PolarHBondContact OD1-N 3.28Å; D122-E134 VanDerWaalsContact OD1-N 3.09Å |
| 123 | Y | 95 | Very high | 89.1 | Confident | 60 Ų | 60 | 32.2 Ų | 32.2 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.5 | -170.9 | -63.8 | -89.4 | 0 | 0 | 0 | 112.8 | W96 I97 H98 T131 I132 E134 L137 | W96-Y123 HydrophobicContact CB-CD1 3.91Å; W96-Y123 HydrophobicContact CB-CG 4.36Å; I97-Y123 WeakPolarHBondContact O-CA 3.07Å; H98-Y123 HydrophobicContact CB-CD1 4.05Å; H98-Y123 HydrophobicContact CB-CE1 3.77Å; H98-Y123 AromaticContact CD2-CE1 3.53Å; H98-Y123 AromaticContact CD2-CZ 3.53Å; H98-Y123 AromaticContact CG-CE1 3.88Å; Y123-T131 CarbonylContact O-C 3.34Å; Y123-T131 VanDerWaalsContact O-CA 3.25Å; Y123-T131 WeakPolarHBondContact O-CA 3.28Å; Y123-I132 PolarHBondContact N-O 3.43Å; Y123-I132 PolarHBondContact O-N 2.85Å; Y123-E134 HydrophobicContact CD2-CG 4.2Å; Y123-E134 HydrophobicContact CE2-CB 4.1Å; Y123-E134 HydrophobicContact CE2-CG 3.7Å; Y123-L137 HydrophobicContact CD2-CD2 3.75Å; Y123-L137 HydrophobicContact CE2-CD2 3.92Å; Y123-L137 HydrophobicContact CG-CD2 4.13Å |
| 124 | R | 93.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.4 | 170.2 | -178.4 | -169.9 | 65.8 | -124.3 | -4.9 | 110.4 | C65 G66 I97 N100 R130 T131 R237 | C65-R124 PolarHBondContact O-NH2 3.42Å; G66-R124 PolarHBondContact O-NH2 3.18Å; I97-R124 PolarHBondContact N-O 2.92Å; I97-R124 PolarHBondContact O-N 3.41Å; N100-R124 PolarHBondContact O-NH1 2.84Å; R124-R130 WeakPolarHBondContact CA-O 3.44Å; R124-T131 HydrophobicContact CB-CG2 4.15Å; R124-T131 HydrophobicContact CG-CG2 4.15Å; R124-R237 VanDerWaalsContact NE-NH1 3.14Å |
| 125 | C | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.9 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | H94 H95 W96 W127 C128 Q129 R130 | H94-C125 HydrophobicContact CB-CB 4.48Å; H94-C125 PolarHBondContact ND1-SG 3.38Å; H95-C125 CarbonylContact O-C 3.6Å; H95-C125 VanDerWaalsContact O-CA 3.27Å; H95-C125 WeakPolarHBondContact O-CA 3.49Å; W96-C125 HydrophobicContact CD2-CB 4.3Å; W96-C125 HydrophobicContact CE3-CB 3.74Å; W96-C125 VanDerWaalsContact CE3-N 3.28Å; W96-C125 HydrophobicContact CH2-CB 4.03Å; W96-C125 HydrophobicContact CZ3-CB 3.59Å; C125-W127 PolarHBondContact O-N 3.14Å; C125-W127 PolarHBondContact SG-N 3.44Å; C125-C128 VanDerWaalsContact CB-SG 3.56Å; C125-C128 VanDerWaalsContact SG-SG 3.65Å; C125-Q129 WeakPolarHBondContact O-CA 3.47Å; C125-Q129 PolarHBondContact O-N 3.39Å; C125-R130 PolarHBondContact N-O 3.44Å |
| 126 | C | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.2 | -179.1 | 76 | 0 | 0 | 0 | 0 | 114.4 | C65 H95 I97 Q129 | C65-C126 HydrophobicContact CB-CB 4.17Å; H95-C126 PolarHBondContact O-N 3.29Å; I97-C126 HydrophobicContact CG1-CB 4.16Å; C126-Q129 PolarHBondContact O-NE2 3Å |
| 127 | W | 90.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -64.5 | 176.8 | -73.1 | 111.8 | 0 | 0 | 0 | 111.8 | K84 Q85 C125 L146 P165 N240 | K84-W127 HydrophobicContact CD-CE3 4.45Å; K84-W127 HydrophobicContact CD-CH2 4.15Å; K84-W127 HydrophobicContact CD-CZ2 4.29Å; K84-W127 HydrophobicContact CD-CZ3 4.25Å; K84-W127 VanDerWaalsContact CE-CH2 3.48Å; K84-W127 HydrophobicContact CG-CD2 4.3Å; K84-W127 HydrophobicContact CG-CE3 4.5Å; K84-W127 HydrophobicContact CG-CH2 3.67Å; K84-W127 HydrophobicContact CG-CZ2 3.4Å; K84-W127 VanDerWaalsContact CG-CZ2 3.4Å; K84-W127 HydrophobicContact CG-CZ3 4.23Å; Q85-W127 WeakPolarHBondContact O-CH2 3.32Å; Q85-W127 VanDerWaalsContact O-CZ2 3.23Å; Q85-W127 WeakPolarHBondContact O-CZ2 3.46Å; C125-W127 PolarHBondContact O-N 3.14Å; C125-W127 PolarHBondContact SG-N 3.44Å; W127-L146 HydrophobicContact CB-CD2 3.84Å; W127-L146 HydrophobicContact CD2-CD2 4.36Å; W127-L146 HydrophobicContact CE3-CD2 4.07Å; W127-L146 HydrophobicContact CG-CD2 4.31Å; W127-P165 HydrophobicContact CH2-CB 3.95Å; W127-P165 HydrophobicContact CH2-CG 3.73Å; W127-P165 HydrophobicContact CZ2-CB 3.94Å; W127-P165 HydrophobicContact CZ2-CG 3.52Å; W127-P165 HydrophobicContact CZ3-CG 4.32Å; W127-N240 HydrophobicContact CH2-CB 4.48Å; W127-N240 HydrophobicContact CZ3-CB 4.37Å |
| 128 | C | 89.2 | Confident | 91.4 | Very high | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.2 | -176.2 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | H94 C125 R130 | H94-C128 PolarHBondContact CE1-SG 3.45Å; H94-C128 PolarHBondContact ND1-SG 3.46Å; C125-C128 VanDerWaalsContact CB-SG 3.56Å; C125-C128 VanDerWaalsContact SG-SG 3.65Å; C128-R130 PolarHBondContact O-N 3.15Å |
| 129 | Q | 88.5 | Confident | 91.8 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | trans | 58.1 | 13.1 | -177.7 | -50.6 | -59.4 | -43 | 0 | 0 | 115.4 | C125 C126 R155 R237 L238 | C125-Q129 WeakPolarHBondContact O-CA 3.47Å; C125-Q129 PolarHBondContact O-N 3.39Å; C126-Q129 PolarHBondContact O-NE2 3Å; Q129-R155 PolarHBondContact O-NH1 3.16Å; Q129-R237 PolarHBondContact NE2-O 2.61Å; Q129-L238 HydrophobicContact CG-CD2 3.46Å; Q129-L238 VanDerWaalsContact CG-CD2 3.46Å | ||
| 130 | R | 89.3 | Confident | 92 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | trans | -64.7 | 141.5 | 170.3 | -71.6 | -172.9 | -177.7 | 122.8 | 6.4 | 109.8 | W96 C108 R124 C125 C128 D145 V149 | W96-R130 WeakPolarHBondContact CZ3-O 3.29Å; C108-R130 HydrophobicContact CB-CB 4.16Å; C108-R130 HydrophobicContact CB-CG 4.19Å; R124-R130 WeakPolarHBondContact CA-O 3.44Å; C125-R130 PolarHBondContact N-O 3.44Å; C128-R130 PolarHBondContact O-N 3.15Å; R130-D145 IonicContact CZ-OD1 3.33Å; R130-D145 IonicContact CZ-OD2 3.45Å; R130-D145 VanDerWaalsContact NH1-CG 3.32Å; R130-D145 IonicContact NH1-OD1 2.86Å; R130-D145 PolarHBondContact NH1-OD1 2.58Å; R130-D145 IonicContact NH1-OD2 2.85Å; R130-D145 PolarHBondContact NH1-OD2 3.45Å; R130-D145 IonicContact NH2-OD1 3.26Å; R130-D145 PolarHBondContact NH2-OD1 3.37Å; R130-D145 IonicContact NH2-OD2 3.9Å; R130-D145 PolarHBondContact NH2-OD2 3.14Å; R130-V149 PolarHBondContact NH2-O 3.47Å | ||
| 131 | T | 93.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.2 | 175.2 | 41.6 | 0 | 0 | 0 | 0 | 109.2 | L101 I106 C107 C108 Y123 R124 | L101-T131 HydrophobicContact CD2-CG2 3.68Å; L101-T131 HydrophobicContact CG-CG2 4.05Å; I106-T131 PolarHBondContact O-OG1 3.34Å; C107-T131 CarbonylContact C-O 3.58Å; C107-T131 WeakPolarHBondContact CA-O 3.44Å; C108-T131 PolarHBondContact N-O 3.13Å; C108-T131 PolarHBondContact SG-O 3.34Å; Y123-T131 CarbonylContact O-C 3.34Å; Y123-T131 VanDerWaalsContact O-CA 3.25Å; Y123-T131 WeakPolarHBondContact O-CA 3.28Å; R124-T131 HydrophobicContact CB-CG2 4.15Å; R124-T131 HydrophobicContact CG-CG2 4.15Å |
| 132 | I | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 140.2 | -174.3 | -168.6 | 163.7 | 0 | 0 | 0 | 111.3 | W96 A109 D122 Y123 C136 L137 F140 | W96-I132 HydrophobicContact CD2-CG2 4.46Å; W96-I132 HydrophobicContact CE3-CG2 3.89Å; W96-I132 HydrophobicContact CH2-CB 4.27Å; W96-I132 HydrophobicContact CH2-CG2 3.61Å; W96-I132 HydrophobicContact CZ2-CG2 4.19Å; W96-I132 HydrophobicContact CZ3-CB 4.3Å; W96-I132 HydrophobicContact CZ3-CG2 3.43Å; W96-I132 VanDerWaalsContact CZ3-CG2 3.43Å; A109-I132 HydrophobicContact CB-CD1 4.09Å; A109-I132 HydrophobicContact CB-CG1 4.37Å; D122-I132 WeakPolarHBondContact CB-O 3.45Å; Y123-I132 PolarHBondContact N-O 3.43Å; Y123-I132 PolarHBondContact O-N 2.85Å; I132-C136 HydrophobicContact CD1-CB 4.13Å; I132-C136 HydrophobicContact CG1-CB 3.69Å; I132-L137 HydrophobicContact CD1-CB 4.38Å; I132-L137 HydrophobicContact CD1-CD1 4.44Å; I132-L137 HydrophobicContact CG2-CB 4.34Å; I132-L137 HydrophobicContact CG2-CD1 4.13Å; I132-F140 HydrophobicContact CD1-CB 3.51Å; I132-F140 HydrophobicContact CD1-CD1 4.1Å; I132-F140 HydrophobicContact CD1-CD2 3.75Å; I132-F140 HydrophobicContact CD1-CG 3.5Å |
| 133 | H | 95.2 | Very high | 91.8 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | trans | -64.6 | 149.7 | 173 | -65 | 114.6 | 0 | 0 | 0 | 112.1 | C107 C110 D113 C114 D122 N135 C136 L137 | C107-H133 VanDerWaalsContact CB-CE1 3.42Å; C107-H133 WeakPolarHBondContact CB-CE1 3.36Å; C107-H133 WeakPolarHBondContact CB-ND1 3.45Å; C107-H133 PolarHBondContact SG-N 3.34Å; C107-H133 VanDerWaalsContact SG-N 3.41Å; C107-H133 PolarHBondContact SG-ND1 3.41Å; C110-H133 VanDerWaalsContact SG-CE1 3.59Å; C110-H133 PolarHBondContact SG-ND1 2.88Å; D113-H133 PolarHBondContact O-CE1 2.75Å; D113-H133 VanDerWaalsContact O-CE1 3.31Å; D113-H133 PolarHBondContact O-NE2 3.16Å; C114-H133 WeakPolarHBondContact CA-NE2 3.5Å; C114-H133 VanDerWaalsContact CB-CD2 3.44Å; C114-H133 WeakPolarHBondContact CB-CD2 3.37Å; C114-H133 WeakPolarHBondContact CB-NE2 3.49Å; D122-H133 WeakPolarHBondContact OD1-CA 3.33Å; D122-H133 IonicContact OD1-CD2 3.27Å; D122-H133 IonicContact OD2-CD2 3.62Å; D122-H133 PolarHBondContact OD2-CD2 3.46Å; D122-H133 VanDerWaalsContact OD2-CD2 3.31Å; H133-N135 PolarHBondContact O-N 3.3Å; H133-C136 HydrophobicContact CB-CB 4.01Å; H133-C136 PolarHBondContact O-N 2.9Å; H133-L137 PolarHBondContact O-N 2.97Å | ||
| 134 | E | 93.7 | Very high | 91.6 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.2 | -41.4 | 175.1 | -52 | -162.4 | 158.9 | 0 | 0 | 112.6 | H98 D122 Y123 | H98-E134 IonicContact CD2-OE1 3.82Å; H98-E134 IonicContact CE1-OE1 3.33Å; H98-E134 IonicContact NE2-OE1 3.21Å; H98-E134 PolarHBondContact NE2-OE1 3.02Å; D122-E134 PolarHBondContact OD1-N 3.28Å; D122-E134 VanDerWaalsContact OD1-N 3.09Å; Y123-E134 HydrophobicContact CD2-CG 4.2Å; Y123-E134 HydrophobicContact CE2-CB 4.1Å; Y123-E134 HydrophobicContact CE2-CG 3.7Å |
| 135 | N | 92.7 | Very high | 91.3 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 70% | 0.695 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.7 | -32.6 | 178.5 | -70.3 | -30 | 0 | 0 | 0 | 112.8 | H133 | H133-N135 PolarHBondContact O-N 3.3Å |
| 136 | C | 94 | Very high | 91 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76.3 | -30.1 | 179.5 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | A109 I132 H133 R138 N139 | A109-C136 HydrophobicContact CB-CB 3.78Å; I132-C136 HydrophobicContact CD1-CB 4.13Å; I132-C136 HydrophobicContact CG1-CB 3.69Å; H133-C136 HydrophobicContact CB-CB 4.01Å; H133-C136 PolarHBondContact O-N 2.9Å; C136-R138 PolarHBondContact O-N 3.41Å; C136-N139 PolarHBondContact O-N 3.2Å |
| 137 | L | 93.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -35 | -177.6 | 179.8 | 60.4 | 0 | 0 | 0 | 113 | W96 Y123 I132 H133 N139 F140 | W96-L137 HydrophobicContact CD2-CD1 4.15Å; W96-L137 HydrophobicContact CG-CD1 4.41Å; W96-L137 HydrophobicContact CZ2-CD1 3.87Å; Y123-L137 HydrophobicContact CD2-CD2 3.75Å; Y123-L137 HydrophobicContact CE2-CD2 3.92Å; Y123-L137 HydrophobicContact CG-CD2 4.13Å; I132-L137 HydrophobicContact CD1-CB 4.38Å; I132-L137 HydrophobicContact CD1-CD1 4.44Å; I132-L137 HydrophobicContact CG2-CB 4.34Å; I132-L137 HydrophobicContact CG2-CD1 4.13Å; H133-L137 PolarHBondContact O-N 2.97Å; L137-N139 PolarHBondContact O-N 2.88Å; L137-F140 PolarHBondContact O-N 3.36Å |
| 138 | R | 88.6 | Confident | 89 | Confident | 208 Ų | 208 | 57 Ų | 57 | 79% | 0.785 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.2 | -177.8 | -63.6 | -176.5 | -176.8 | -173.8 | 1.4 | 113.9 | C136 | C136-R138 PolarHBondContact O-N 3.41Š|
| 139 | N | 88.3 | Confident | 87.3 | Confident | 156 Ų | 156 | 61 Ų | 61 | 83% | 0.834 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 7.6 | -176.9 | -63.3 | -31.4 | 0 | 0 | 0 | 112.6 | C136 L137 | C136-N139 PolarHBondContact O-N 3.2Å; L137-N139 PolarHBondContact O-N 2.88Å |
| 140 | F | 89.7 | Confident | 85.4 | Confident | 53 Ų | 53 | 62 Ų | 62 | 23% | 0.232 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -90.9 | 150.6 | -177.6 | -164.9 | -101.1 | 0 | 0 | 0 | 111.6 | H94 W96 A109 I132 L137 A142 | H94-F140 AromaticContact NE2-CE1 3.61Å; W96-F140 HydrophobicContact CZ2-CD1 4.12Å; W96-F140 HydrophobicContact CZ2-CE1 4.34Å; A109-F140 HydrophobicContact CB-CD2 4.13Å; I132-F140 HydrophobicContact CD1-CB 3.51Å; I132-F140 HydrophobicContact CD1-CD1 4.1Å; I132-F140 HydrophobicContact CD1-CD2 3.75Å; I132-F140 HydrophobicContact CD1-CG 3.5Å; L137-F140 PolarHBondContact O-N 3.36Å; F140-A142 PolarHBondContact O-N 2.91Å |
| 141 | A | 90.1 | Very high | 83.1 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | trans | -61.8 | 133.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L143 | A141-L143 VanDerWaalsContact C-N 3.33Å; A141-L143 PolarHBondContact O-N 2.93Å | ||
| 142 | A | 91.2 | Very high | 80.8 | Confident | 69 Ų | 69 | 76 Ų | 76 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -70.8 | -29.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V93 H94 F140 | V93-A142 CarbonylContact C-O 3.5Å; V93-A142 VanDerWaalsContact CA-O 3.27Å; V93-A142 WeakPolarHBondContact CA-O 3.14Å; V93-A142 WeakPolarHBondContact CB-O 3.28Å; H94-A142 PolarHBondContact N-O 3.48Å; F140-A142 PolarHBondContact O-N 2.91Å |
| 143 | L | 91.9 | Very high | 78.4 | Confident | 85 Ų | 85 | 81.3 Ų | 81.3 | 45% | 0.445 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 130.7 | -175.5 | -62.2 | -177.4 | 0 | 0 | 0 | 111.6 | Q91 L92 V93 H94 A141 | Q91-L143 HydrophobicContact CB-CD2 3.78Å; L92-L143 WeakPolarHBondContact O-CA 3.46Å; V93-L143 HydrophobicContact CG1-CD2 4.21Å; H94-L143 PolarHBondContact CD2-O 3.41Å; H94-L143 PolarHBondContact NE2-O 3.23Å; A141-L143 VanDerWaalsContact C-N 3.33Å; A141-L143 PolarHBondContact O-N 2.93Å |
| 144 | C | 90.6 | Very high | 76 | Confident | 11 Ų | 11 | 88.7 Ų | 88.7 | 7% | 0.074 | 46% | 0.458 | C | S | . | . | trans | -92.3 | 125.9 | 176.2 | 179 | 0 | 0 | 0 | 0 | 110.3 | L92 H94 L146 | L92-C144 HydrophobicContact CD2-CB 4.22Å; L92-C144 HydrophobicContact CG-CB 4.06Å; L92-C144 PolarHBondContact O-N 2.91Å; H94-C144 HydrophobicContact CB-CB 4.39Å; H94-C144 WeakPolarHBondContact NE2-CA 3.28Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact SG-N 2.89Å; C144-L146 VanDerWaalsContact SG-N 3.38Å | ||
| 145 | D | 88 | Confident | 73.9 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 24% | 0.235 | 46% | 0.463 | C | S | . | . | trans | -92.4 | 8 | 176.6 | 68.1 | -13.8 | 0 | 0 | 0 | 112.9 | R130 G147 K148 | R130-D145 IonicContact CZ-OD1 3.33Å; R130-D145 IonicContact CZ-OD2 3.45Å; R130-D145 VanDerWaalsContact NH1-CG 3.32Å; R130-D145 IonicContact NH1-OD1 2.86Å; R130-D145 PolarHBondContact NH1-OD1 2.58Å; R130-D145 IonicContact NH1-OD2 2.85Å; R130-D145 PolarHBondContact NH1-OD2 3.45Å; R130-D145 IonicContact NH2-OD1 3.26Å; R130-D145 PolarHBondContact NH2-OD1 3.37Å; R130-D145 IonicContact NH2-OD2 3.9Å; R130-D145 PolarHBondContact NH2-OD2 3.14Å; D145-G147 PolarHBondContact O-N 2.61Å; D145-G147 VanDerWaalsContact O-N 3.12Å; D145-G147 PolarHBondContact OD1-N 3.01Å; D145-K148 HydrophobicContact CB-CB 4.28Å; D145-K148 HydrophobicContact CB-CD 4.41Å; D145-K148 VanDerWaalsContact O-CG 3.27Å; D145-K148 WeakPolarHBondContact O-CG 3.35Å; D145-K148 PolarHBondContact O-N 3.15Å | ||
| 146 | L | 86.8 | Confident | 72.1 | Confident | 6 Ų | 6 | 88.4 Ų | 88.4 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.6 | -174 | -61.4 | 173.7 | 0 | 0 | 0 | 114.7 | L92 W127 C144 V159 I162 P164 | L92-L146 HydrophobicContact CD2-CD1 4.15Å; L92-L146 HydrophobicContact CD2-CD2 3.48Å; L92-L146 VanDerWaalsContact CD2-CD2 3.48Å; L92-L146 HydrophobicContact CD2-CG 3.61Å; W127-L146 HydrophobicContact CB-CD2 3.84Å; W127-L146 HydrophobicContact CD2-CD2 4.36Å; W127-L146 HydrophobicContact CE3-CD2 4.07Å; W127-L146 HydrophobicContact CG-CD2 4.31Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact SG-N 2.89Å; C144-L146 VanDerWaalsContact SG-N 3.38Å; L146-V159 HydrophobicContact CB-CB 4.42Å; L146-V159 HydrophobicContact CB-CG2 3.62Å; L146-V159 HydrophobicContact CD1-CG2 4.17Å; L146-I162 HydrophobicContact CD1-CG2 4.09Å; L146-I162 HydrophobicContact CD2-CG2 4.45Å; L146-P164 HydrophobicContact CD1-CB 3.78Å; L146-P164 HydrophobicContact CD1-CG 3.57Å |
| 147 | G | 78.9 | Confident | 70.5 | Confident | 14 Ų | 14 | 89.9 Ų | 89.9 | 14% | 0.144 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 30.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D145 V149 | D145-G147 PolarHBondContact O-N 2.61Å; D145-G147 VanDerWaalsContact O-N 3.12Å; D145-G147 PolarHBondContact OD1-N 3.01Å; G147-V149 PolarHBondContact O-N 3.28Å |
| 148 | K | 63.3 | Low | 69.7 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 35% | 0.352 | 45% | 0.45 | S | S | . | . | trans | -56.1 | -28 | 179.8 | -86.8 | 174.3 | -174.8 | -164.1 | 0 | 115.3 | D145 V159 K207 G208 | D145-K148 HydrophobicContact CB-CB 4.28Å; D145-K148 HydrophobicContact CB-CD 4.41Å; D145-K148 VanDerWaalsContact O-CG 3.27Å; D145-K148 WeakPolarHBondContact O-CG 3.35Å; D145-K148 PolarHBondContact O-N 3.15Å; K148-V159 HydrophobicContact CG-CB 4.37Å; K148-V159 HydrophobicContact CG-CG1 3.97Å; K148-V159 HydrophobicContact CG-CG2 4.04Å; K148-K207 PolarHBondContact NZ-O 3.13Å; K148-G208 PolarHBondContact NZ-O 3.29Å | ||
| 149 | V | 52.3 | Low | 69.4 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | trans | -130.8 | 116.7 | -172.1 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | R130 G147 | R130-V149 PolarHBondContact NH2-O 3.47Å; G147-V149 PolarHBondContact O-N 3.28Å | ||
| 150 | S | 48.1 | Very low | 69.4 | Low | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | trans | -142.6 | 73.7 | 163.1 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | E152 R155 | S150-E152 PolarHBondContact O-N 3.17Å; S150-R155 PolarHBondContact OG-O 3.05Å | ||
| 151 | H | 42.3 | Very low | 69.4 | Low | 183 Ų | 183 | 72.2 Ų | 72.2 | 85% | 0.847 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -75.2 | -10.6 | 173.8 | -95.7 | -79.7 | 0 | 0 | 0 | 113 | ||
| 152 | E | 43.6 | Very low | 69.4 | Low | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -118.8 | -6.8 | -170.9 | -87.5 | 161.7 | 155.9 | 0 | 0 | 115.7 | S150 | S150-E152 PolarHBondContact O-N 3.17Š|
| 153 | F | 43.7 | Very low | 69.3 | Low | 112 Ų | 112 | 65.7 Ų | 65.7 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -140.7 | 134.9 | 171.4 | -87.4 | -93.5 | 0 | 0 | 0 | 108.9 | I106 R155 | I106-F153 HydrophobicContact CD1-CD1 4.09Å; I106-F153 HydrophobicContact CD1-CE1 3.35Å; I106-F153 HydrophobicContact CD1-CZ 3.66Å; F153-R155 PolarHBondContact O-N 3.45Å |
| 154 | H | 44.6 | Very low | 69.2 | Low | 190 Ų | 190 | 62 Ų | 62 | 88% | 0.88 | 30% | 0.304 | S | S | * | . | trans | -52.5 | 59 | 175.5 | -87.9 | -98.9 | 0 | 0 | 0 | 114.2 | ||||
| 155 | R | 50.7 | Low | 69.1 | Low | 126 Ų | 126 | 61.4 Ų | 61.4 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | trans | -112.7 | 124.2 | 170 | -75.9 | -172.5 | 174.5 | -177.5 | 0.9 | 107.6 | Q129 S150 F153 | Q129-R155 PolarHBondContact O-NH1 3.16Å; S150-R155 PolarHBondContact OG-O 3.05Å; F153-R155 PolarHBondContact O-N 3.45Å | ||
| 156 | H | 54.5 | Low | 69.2 | Low | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | trans | -71.6 | 131 | -174.3 | -63.3 | -88.7 | 0 | 0 | 0 | 109.9 | F158 D349 | H156-F158 VanDerWaalsContact C-N 3.34Å; H156-F158 WeakPolarHBondContact O-CD1 3.4Å; H156-F158 PolarHBondContact O-N 3.5Å; H156-D349 IonicContact CD2-OD1 3.63Å; H156-D349 IonicContact CD2-OD2 3.87Å; H156-D349 PolarHBondContact CD2-OD2 3.33Å; H156-D349 VanDerWaalsContact CE1-CG 3.47Å; H156-D349 IonicContact CE1-OD1 2.71Å; H156-D349 PolarHBondContact CE1-OD1 3.47Å; H156-D349 VanDerWaalsContact CE1-OD1 3.29Å; H156-D349 IonicContact CE1-OD2 3.6Å; H156-D349 PolarHBondContact CE1-OD2 3.31Å; H156-D349 IonicContact CG-OD1 3.97Å; H156-D349 IonicContact CG-OD2 3.73Å; H156-D349 IonicContact ND1-OD1 2.69Å; H156-D349 PolarHBondContact ND1-OD1 3.15Å; H156-D349 IonicContact ND1-OD2 2.85Å; H156-D349 PolarHBondContact ND1-OD2 3.1Å; H156-D349 IonicContact NE2-OD2 3.31Å; H156-D349 PolarHBondContact NE2-OD2 3.33Å | ||
| 157 | C | 60.2 | Low | 69.3 | Low | 61 Ų | 61 | 61.6 Ų | 61.6 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | trans | -73.6 | 85.7 | -178.7 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | V159 | C157-V159 VanDerWaalsContact C-N 3.28Å; C157-V159 PolarHBondContact O-N 3.18Å; C157-V159 WeakPolarHBondContact SG-CG1 3.48Å | ||
| 158 | F | 76.5 | Confident | 69.6 | Low | 20 Ų | 20 | 61 Ų | 61 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -83.4 | 1.8 | -179.3 | 51.7 | -105 | 0 | 0 | 0 | 113.9 | H156 K160 F161 I162 F348 | H156-F158 VanDerWaalsContact C-N 3.34Å; H156-F158 WeakPolarHBondContact O-CD1 3.4Å; H156-F158 PolarHBondContact O-N 3.5Å; F158-K160 PolarHBondContact O-N 3.42Å; F158-K160 VanDerWaalsContact O-N 3.09Å; F158-F161 HydrophobicContact CB-CD2 4.32Å; F158-F161 WeakPolarHBondContact O-CB 3.43Å; F158-F161 PolarHBondContact O-N 3.42Å; F158-I162 HydrophobicContact CD2-CD1 3.43Å; F158-I162 VanDerWaalsContact CD2-CD1 3.43Å; F158-I162 HydrophobicContact CD2-CG1 4.2Å; F158-I162 HydrophobicContact CE2-CD1 3.58Å; F158-F348 HydrophobicContact CB-CB 4.39Å; F158-F348 HydrophobicContact CB-CD1 4.38Å; F158-F348 HydrophobicContact CB-CD2 3.45Å; F158-F348 VanDerWaalsContact CB-CD2 3.45Å; F158-F348 HydrophobicContact CB-CE2 3.63Å; F158-F348 HydrophobicContact CB-CG 3.85Å; F158-F348 HydrophobicContact CB-CZ 4.21Å; F158-F348 HydrophobicContact CD1-CD2 4.28Å; F158-F348 HydrophobicContact CD1-CE2 4.37Å; F158-F348 HydrophobicContact CG-CD2 4.04Å; F158-F348 AromaticContact CG-CE2 3.93Å; F158-F348 HydrophobicContact CG-CE2 3.93Å |
| 159 | V | 83.3 | Confident | 70.3 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -55.2 | -32 | -178.8 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | L146 K148 C157 F161 I162 V209 | L146-V159 HydrophobicContact CB-CB 4.42Å; L146-V159 HydrophobicContact CB-CG2 3.62Å; L146-V159 HydrophobicContact CD1-CG2 4.17Å; K148-V159 HydrophobicContact CG-CB 4.37Å; K148-V159 HydrophobicContact CG-CG1 3.97Å; K148-V159 HydrophobicContact CG-CG2 4.04Å; C157-V159 VanDerWaalsContact C-N 3.28Å; C157-V159 PolarHBondContact O-N 3.18Å; C157-V159 WeakPolarHBondContact SG-CG1 3.48Å; V159-F161 PolarHBondContact O-N 3.26Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-V209 HydrophobicContact CG1-CG1 4.42Å; V159-V209 HydrophobicContact CG2-CG2 4.47Å |
| 160 | K | 87.5 | Confident | 70.8 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 27% | 0.265 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -62.9 | -21.5 | 178.1 | 69 | -177.7 | -179.2 | -175.1 | 0 | 113.2 | F158 K213 S352 | F158-K160 PolarHBondContact O-N 3.42Å; F158-K160 VanDerWaalsContact O-N 3.09Å; K160-K213 CarbonylContact O-C 3.59Å; K160-K213 VanDerWaalsContact O-C 3.23Å; K160-K213 PolarHBondContact O-N 2.91Å; K160-K213 VanDerWaalsContact O-O 3.09Å; K160-S352 WeakPolarHBondContact CE-OG 3.4Å; K160-S352 VanDerWaalsContact NZ-CB 3.3Å; K160-S352 PolarHBondContact NZ-OG 3.05Å |
| 161 | F | 89.9 | Confident | 71.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -95.8 | -15.1 | 179.5 | -59.6 | -66.5 | 0 | 0 | 0 | 113.6 | F158 V159 K213 L215 Q243 Y285 F348 L351 | F158-F161 HydrophobicContact CB-CD2 4.32Å; F158-F161 WeakPolarHBondContact O-CB 3.43Å; F158-F161 PolarHBondContact O-N 3.42Å; V159-F161 PolarHBondContact O-N 3.26Å; F161-K213 WeakPolarHBondContact CD1-O 3.47Å; F161-L215 HydrophobicContact CB-CB 3.94Å; F161-L215 HydrophobicContact CD1-CB 4.18Å; F161-L215 HydrophobicContact CG-CB 4.43Å; F161-L215 PolarHBondContact O-N 3.49Å; F161-Q243 PolarHBondContact O-NE2 2.88Å; F161-Y285 HydrophobicContact CD1-CD2 4.13Å; F161-Y285 AromaticContact CE1-CD2 3.79Å; F161-Y285 HydrophobicContact CE1-CD2 3.79Å; F161-Y285 AromaticContact CE1-CE2 3.89Å; F161-Y285 HydrophobicContact CE1-CE2 3.89Å; F161-F348 HydrophobicContact CB-CD1 4.1Å; F161-F348 HydrophobicContact CB-CE1 3.8Å; F161-F348 HydrophobicContact CD2-CB 4.12Å; F161-F348 AromaticContact CD2-CD1 3.32Å; F161-F348 HydrophobicContact CD2-CD1 3.32Å; F161-F348 AromaticContact CD2-CE1 3.92Å; F161-F348 HydrophobicContact CD2-CE1 3.92Å; F161-F348 AromaticContact CD2-CG 3.93Å; F161-F348 HydrophobicContact CD2-CG 3.93Å; F161-F348 HydrophobicContact CE2-CB 3.86Å; F161-F348 AromaticContact CE2-CD1 3.79Å; F161-F348 HydrophobicContact CE2-CD1 3.79Å; F161-F348 HydrophobicContact CE2-CG 4.17Å; F161-F348 AromaticContact CG-CD1 3.8Å; F161-F348 HydrophobicContact CG-CD1 3.8Å; F161-F348 HydrophobicContact CG-CE1 4.02Å; F161-L351 HydrophobicContact CE1-CB 3.9Å; F161-L351 HydrophobicContact CE1-CD1 4.25Å; F161-L351 HydrophobicContact CZ-CB 3.69Å |
| 162 | I | 89.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -86.6 | 137.5 | -176 | -65.1 | 177.6 | 0 | 0 | 0 | 109.9 | L146 F158 V159 P164 W212 L239 | L146-I162 HydrophobicContact CD1-CG2 4.09Å; L146-I162 HydrophobicContact CD2-CG2 4.45Å; F158-I162 HydrophobicContact CD2-CD1 3.43Å; F158-I162 VanDerWaalsContact CD2-CD1 3.43Å; F158-I162 HydrophobicContact CD2-CG1 4.2Å; F158-I162 HydrophobicContact CE2-CD1 3.58Å; V159-I162 PolarHBondContact O-N 3.37Å; I162-P164 VanDerWaalsContact O-CD 3.29Å; I162-P164 WeakPolarHBondContact O-CD 3.46Å; I162-W212 PolarHBondContact O-NE1 3.01Å; I162-L239 HydrophobicContact CG1-CD2 4.06Å | ||
| 163 | M | 88.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -86.8 | 107 | 164.8 | -179.9 | 172.1 | 67.4 | 0 | 0 | 109.5 | V168 I203 N240 L242 Q243 M274 F278 | M163-V168 HydrophobicContact CE-CG2 3.73Å; M163-V168 HydrophobicContact CG-CG2 3.83Å; M163-V168 HydrophobicContact SD-CG2 3.71Å; M163-I203 HydrophobicContact CG-CG2 3.89Å; M163-I203 HydrophobicContact SD-CB 4.29Å; M163-I203 HydrophobicContact SD-CD1 3.44Å; M163-I203 WeakPolarHBondContact SD-CD1 3.35Å; M163-I203 HydrophobicContact SD-CG1 3.72Å; M163-I203 HydrophobicContact SD-CG2 3.58Å; M163-I203 VanDerWaalsContact SD-CG2 3.58Å; M163-N240 HydrophobicContact CB-CB 4.19Å; M163-N240 HydrophobicContact CE-CB 4.08Å; M163-N240 WeakPolarHBondContact O-CB 3.49Å; M163-N240 PolarHBondContact O-ND2 3.4Å; M163-L242 HydrophobicContact CE-CB 3.38Å; M163-L242 HydrophobicContact CE-CD1 3.49Å; M163-L242 VanDerWaalsContact CE-CD1 3.49Å; M163-L242 HydrophobicContact CE-CG 4.03Å; M163-Q243 HydrophobicContact CB-CG 3.96Å; M163-Q243 HydrophobicContact CE-CG 4.26Å; M163-M274 HydrophobicContact CE-SD 4.03Å; M163-M274 HydrophobicContact SD-SD 4.47Å; M163-F278 HydrophobicContact SD-CE1 4.36Å | ||
| 164 | P | 90.5 | Very high | 71 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | trans | -65 | 134.8 | -178.3 | -22.1 | 37.3 | 0 | 0 | 0 | 110.1 | L146 I162 N166 C167 P206 | L146-P164 HydrophobicContact CD1-CB 3.78Å; L146-P164 HydrophobicContact CD1-CG 3.57Å; I162-P164 VanDerWaalsContact O-CD 3.29Å; I162-P164 WeakPolarHBondContact O-CD 3.46Å; P164-N166 WeakPolarHBondContact CB-OD1 3.21Å; P164-N166 PolarHBondContact O-N 2.73Å; P164-C167 HydrophobicContact CB-CB 4.39Å; P164-C167 WeakPolarHBondContact O-CB 3.19Å; P164-C167 PolarHBondContact O-N 2.64Å; P164-P206 HydrophobicContact CG-CB 3.93Å; P164-P206 HydrophobicContact CG-CG 4.38Å | ||
| 165 | P | 88.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -65.5 | -24.2 | -176.6 | 30.9 | -39.8 | 0 | 0 | 0 | 112.4 | V86 S87 I88 L92 W127 C167 V168 | V86-P165 WeakPolarHBondContact O-CA 3.27Å; V86-P165 WeakPolarHBondContact O-CB 3.44Å; S87-P165 WeakPolarHBondContact CA-O 3.38Å; I88-P165 HydrophobicContact CB-CB 4.34Å; I88-P165 HydrophobicContact CB-CG 4.47Å; I88-P165 HydrophobicContact CD1-CB 4.12Å; I88-P165 HydrophobicContact CD1-CG 3.72Å; I88-P165 HydrophobicContact CG1-CB 3.99Å; I88-P165 HydrophobicContact CG1-CG 4.12Å; I88-P165 PolarHBondContact N-O 3.31Å; L92-P165 HydrophobicContact CD1-CG 3.6Å; W127-P165 HydrophobicContact CH2-CB 3.95Å; W127-P165 HydrophobicContact CH2-CG 3.73Å; W127-P165 HydrophobicContact CZ2-CB 3.94Å; W127-P165 HydrophobicContact CZ2-CG 3.52Å; W127-P165 HydrophobicContact CZ3-CG 4.32Å; P165-C167 PolarHBondContact O-N 2.83Å; P165-V168 PolarHBondContact O-N 3.36Å |
| 166 | N | 89.9 | Confident | 69.9 | Low | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -76.1 | -3.5 | 173.3 | 67.5 | -38.3 | 0 | 0 | 0 | 114.4 | I88 G90 P164 R204 | I88-N166 WeakPolarHBondContact O-CA 3.38Å; G90-N166 WeakPolarHBondContact O-CB 3.32Å; P164-N166 WeakPolarHBondContact CB-OD1 3.21Å; P164-N166 PolarHBondContact O-N 2.73Å; N166-R204 PolarHBondContact O-NH2 3.43Å |
| 167 | C | 89.5 | Confident | 69 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -100.4 | -4.6 | 172.5 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | P164 P165 I203 R204 | P164-C167 HydrophobicContact CB-CB 4.39Å; P164-C167 WeakPolarHBondContact O-CB 3.19Å; P164-C167 PolarHBondContact O-N 2.64Å; P165-C167 PolarHBondContact O-N 2.83Å; C167-I203 WeakPolarHBondContact O-CA 3.06Å; C167-R204 WeakPolarHBondContact CB-O 3.45Å; C167-R204 PolarHBondContact O-N 3.18Å |
| 168 | V | 83.7 | Confident | 67.7 | Low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.8 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | S87 M163 P165 F201 L242 | S87-V168 WeakPolarHBondContact CB-O 3.47Å; S87-V168 PolarHBondContact OG-O 3.31Å; M163-V168 HydrophobicContact CE-CG2 3.73Å; M163-V168 HydrophobicContact CG-CG2 3.83Å; M163-V168 HydrophobicContact SD-CG2 3.71Å; P165-V168 PolarHBondContact O-N 3.36Å; V168-F201 HydrophobicContact CG1-CD1 3.82Å; V168-F201 HydrophobicContact CG1-CE1 4.3Å; V168-L242 HydrophobicContact CG1-CD1 3.87Å; V168-L242 HydrophobicContact CG2-CD1 4.41Å |
| 169 | E | 78.1 | Confident | 65.6 | Low | 70 Ų | 70 | 55.9 Ų | 55.9 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.4 | 176 | -65.3 | -174.6 | 155.5 | 0 | 0 | 109.9 | F201 Q202 R204 | E169-F201 CarbonylContact O-C 3.5Å; E169-F201 WeakPolarHBondContact O-CA 3.4Å; E169-Q202 PolarHBondContact N-O 3.09Å; E169-Q202 PolarHBondContact O-N 2.93Å; E169-R204 VanDerWaalsContact CD-NH1 3.28Å; E169-R204 IonicContact OE1-CZ 2.89Å; E169-R204 IonicContact OE1-NE 3.85Å; E169-R204 IonicContact OE1-NH1 2.68Å; E169-R204 PolarHBondContact OE1-NH1 3.34Å; E169-R204 IonicContact OE1-NH2 2.76Å; E169-R204 PolarHBondContact OE1-NH2 3.07Å; E169-R204 IonicContact OE2-CZ 3.68Å; E169-R204 IonicContact OE2-NH1 3.34Å; E169-R204 PolarHBondContact OE2-NH1 2.91Å |
| 170 | A | 62.7 | Low | 63.6 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L31 E172 F201 | L31-A170 HydrophobicContact CD2-CB 4.03Å; A170-E172 PolarHBondContact O-N 2.59Å; A170-F201 HydrophobicContact CB-CD1 4.33Å; A170-F201 HydrophobicContact CB-CE1 4.15Å |
| 171 | H | 59.7 | Low | 61 | Low | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.389 | 38% | 0.375 | S | S | . | . | trans | -79.7 | 113 | 169.6 | -83.2 | -85.2 | 0 | 0 | 0 | 109.4 | N173 A200 Q202 | H171-N173 PolarHBondContact O-N 2.67Å; H171-A200 WeakPolarHBondContact CB-O 3.28Å; H171-A200 PolarHBondContact N-O 3.28Å; H171-A200 VanDerWaalsContact N-O 3.07Å; H171-Q202 PolarHBondContact NE2-OE1 3.01Å | ||
| 172 | E | 47 | Very low | 58.2 | Low | 166 Ų | 166 | 75.1 Ų | 75.1 | 78% | 0.776 | 41% | 0.412 | S | S | * | . | trans | -73.4 | 78.3 | 161.9 | -73.9 | -177.3 | -177.7 | 0 | 0 | 108.8 | A170 N174 | A170-E172 PolarHBondContact O-N 2.59Å; E172-N174 PolarHBondContact O-N 2.71Å | ||
| 173 | N | 40.1 | Very low | 55.8 | Low | 71 Ų | 71 | 82 Ų | 82 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | trans | -75.3 | 73.7 | 172.4 | -83.2 | -26.9 | 0 | 0 | 0 | 110.5 | H171 A175 | H171-N173 PolarHBondContact O-N 2.67Å; N173-A175 PolarHBondContact O-N 2.88Å | ||
| 174 | N | 35.7 | Very low | 53.1 | Low | 141 Ų | 141 | 91.7 Ų | 91.7 | 75% | 0.754 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -8.5 | 171.3 | -81.6 | -27.6 | 0 | 0 | 0 | 113.6 | E172 | E172-N174 PolarHBondContact O-N 2.71Š|
| 175 | A | 36.1 | Very low | 50.4 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -16.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | N173 | N173-A175 PolarHBondContact O-N 2.88Š|
| 176 | N | 35.5 | Very low | 47.9 | Very low | 87 Ų | 87 | 110.9 Ų | 110.9 | 47% | 0.465 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -101.9 | -5.9 | -171.7 | -72.6 | -26.5 | 0 | 0 | 0 | 115.5 | A178 | N176-A178 VanDerWaalsContact C-N 3.29Å; N176-A178 PolarHBondContact O-N 3.3Å |
| 177 | L | 35.7 | Very low | 45.4 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -20.2 | 175.7 | -107.5 | 75.4 | 0 | 0 | 0 | 113.4 | F195 | L177-F195 HydrophobicContact CD1-CE2 3.8Å; L177-F195 HydrophobicContact CD1-CZ 4.22Å; L177-F195 HydrophobicContact CG-CE2 4.45Å |
| 178 | A | 33 | Very low | 43 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -9.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N176 | N176-A178 VanDerWaalsContact C-N 3.29Å; N176-A178 PolarHBondContact O-N 3.3Å |
| 179 | S | 33.3 | Very low | 40.8 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | trans | -102.9 | -3.5 | -171.1 | 65.9 | 0 | 0 | 0 | 0 | 115.8 | R181 | S179-R181 VanDerWaalsContact C-N 3.26Å; S179-R181 PolarHBondContact O-N 3.07Å | ||
| 180 | H | 40.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 49% | 0.486 | 63% | 0.627 | S | S | . | * | trans | -82.4 | 41 | -171.1 | -92 | -86.9 | 0 | 0 | 0 | 115.9 | T182 | H180-T182 PolarHBondContact O-N 2.7Å; H180-T182 VanDerWaalsContact O-N 3.13Å | ||
| 181 | R | 33.2 | Very low | 37.7 | Very low | 242 Ų | 242 | 127.5 Ų | 127.5 | 91% | 0.913 | 62% | 0.621 | S | S | * | * | trans | -72.1 | 6 | 176.4 | -83.8 | -175.2 | 173.2 | -178.8 | -0.9 | 115.2 | S179 | S179-R181 VanDerWaalsContact C-N 3.26Å; S179-R181 PolarHBondContact O-N 3.07Å | ||
| 182 | T | 31.9 | Very low | 36.8 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 78% | 0.779 | 62% | 0.615 | S | S | * | * | trans | -122.5 | 70 | -177.4 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | H180 K184 | H180-T182 PolarHBondContact O-N 2.7Å; H180-T182 VanDerWaalsContact O-N 3.13Å; T182-K184 PolarHBondContact O-N 2.98Å | ||
| 183 | F | 37.8 | Very low | 36.5 | Very low | 146 Ų | 146 | 122 Ų | 122 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | trans | -98.6 | 54.2 | -178.1 | -149.6 | -91.1 | 0 | 0 | 0 | 112.8 | V191 | F183-V191 HydrophobicContact CE2-CG1 4.01Å; F183-V191 HydrophobicContact CE2-CG2 3.94Å; F183-V191 HydrophobicContact CZ-CB 4.45Å; F183-V191 HydrophobicContact CZ-CG1 3.99Å; F183-V191 HydrophobicContact CZ-CG2 3.62Å | ||
| 184 | K | 32 | Very low | 36.2 | Very low | 202 Ų | 202 | 120.7 Ų | 120.7 | 88% | 0.878 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -115.9 | 114.1 | 173.4 | -76 | -176 | 176.6 | 179.3 | 0 | 109.3 | T182 | T182-K184 PolarHBondContact O-N 2.98Š|
| 185 | R | 35 | Very low | 36.2 | Very low | 252 Ų | 252 | 118.4 Ų | 118.4 | 95% | 0.951 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 88.7 | 31.9 | 169 | -63.8 | -178.1 | 157.7 | 168.6 | -5.3 | 120.9 | ||
| 186 | R | 35.1 | Very low | 36.5 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | trans | -105.3 | 142.3 | 166.2 | -77.9 | -176.1 | 176 | 168.1 | -0.5 | 112.5 | E190 V191 | R186-E190 WeakPolarHBondContact CA-OE2 3.48Å; R186-E190 HydrophobicContact CB-CB 4.34Å; R186-V191 HydrophobicContact CB-CG2 4.07Å | ||
| 187 | T | 39.2 | Very low | 36.6 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | -70.4 | 151.5 | 173.8 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | K189 E190 V191 | T187-K189 PolarHBondContact O-N 3.32Å; T187-E190 PolarHBondContact N-OE2 3.22Å; T187-E190 PolarHBondContact O-N 3.2Å; T187-E190 VanDerWaalsContact OG1-CD 3.24Å; T187-E190 WeakPolarHBondContact OG1-CG 3.48Å; T187-E190 PolarHBondContact OG1-OE2 2.86Å; T187-V191 PolarHBondContact O-N 2.78Å | ||
| 188 | R | 38.8 | Very low | 36.6 | Very low | 192 Ų | 192 | 113.9 Ų | 113.9 | 73% | 0.725 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -50.6 | -33.1 | 178.1 | -84 | -179.2 | 172.6 | 174.5 | -2.7 | 113 | Y192 | R188-Y192 PolarHBondContact O-N 3.49Å |
| 189 | K | 37 | Very low | 37.3 | Very low | 112 Ų | 112 | 110.6 Ų | 110.6 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.5 | -167.9 | 179.4 | 176.5 | -177.3 | 0 | 112.6 | T187 Y192 I193 W264 | T187-K189 PolarHBondContact O-N 3.32Å; K189-Y192 PolarHBondContact O-N 2.74Å; K189-I193 HydrophobicContact CG-CD1 4.04Å; K189-I193 WeakPolarHBondContact O-CD1 3.25Å; K189-I193 VanDerWaalsContact O-CG1 3.27Å; K189-I193 WeakPolarHBondContact O-CG1 3.29Å; K189-I193 PolarHBondContact O-N 3.04Å; K189-W264 HydrophobicContact CD-CH2 3.58Å; K189-W264 HydrophobicContact CD-CZ2 4.18Å; K189-W264 HydrophobicContact CD-CZ3 3.86Å; K189-W264 HydrophobicContact CG-CH2 4.44Å; K189-W264 HydrophobicContact CG-CZ3 4.39Å; K189-W264 VanDerWaalsContact NZ-CH2 3.31Å |
| 190 | E | 38.8 | Very low | 38.2 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -33.6 | -179.2 | -68.9 | 163.3 | 152.9 | 0 | 0 | 112.4 | R186 T187 S194 | R186-E190 WeakPolarHBondContact CA-OE2 3.48Å; R186-E190 HydrophobicContact CB-CB 4.34Å; T187-E190 PolarHBondContact N-OE2 3.22Å; T187-E190 PolarHBondContact O-N 3.2Å; T187-E190 VanDerWaalsContact OG1-CD 3.24Å; T187-E190 WeakPolarHBondContact OG1-CG 3.48Å; T187-E190 PolarHBondContact OG1-OE2 2.86Å; E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 3.38Å |
| 191 | V | 37.4 | Very low | 39.3 | Very low | 47 Ų | 47 | 105 Ų | 105 | 29% | 0.285 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | F183 R186 T187 S194 F195 | F183-V191 HydrophobicContact CE2-CG1 4.01Å; F183-V191 HydrophobicContact CE2-CG2 3.94Å; F183-V191 HydrophobicContact CZ-CB 4.45Å; F183-V191 HydrophobicContact CZ-CG1 3.99Å; F183-V191 HydrophobicContact CZ-CG2 3.62Å; R186-V191 HydrophobicContact CB-CG2 4.07Å; T187-V191 PolarHBondContact O-N 2.78Å; V191-S194 PolarHBondContact O-N 3.15Å; V191-F195 WeakPolarHBondContact O-CB 3.38Å; V191-F195 PolarHBondContact O-N 3.04Å |
| 192 | Y | 39.4 | Very low | 41.3 | Very low | 68 Ų | 68 | 97.1 Ų | 97.1 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 178.7 | -154.4 | -84.1 | 0 | 0 | 0 | 112.1 | F23 R188 K189 F195 F196 Y265 | F23-Y192 AromaticContact CE1-CE2 3.58Å; F23-Y192 HydrophobicContact CE1-CE2 3.58Å; F23-Y192 AromaticContact CE1-CZ 3.74Å; F23-Y192 WeakPolarHBondContact CE1-OH 3.42Å; F23-Y192 HydrophobicContact CZ-CD2 4.41Å; F23-Y192 AromaticContact CZ-CE2 3.51Å; F23-Y192 HydrophobicContact CZ-CE2 3.51Å; R188-Y192 PolarHBondContact O-N 3.49Å; K189-Y192 PolarHBondContact O-N 2.74Å; Y192-F195 PolarHBondContact O-N 2.82Å; Y192-F196 WeakPolarHBondContact O-CB 3.47Å; Y192-F196 PolarHBondContact O-N 3.41Å; Y192-Y265 WeakPolarHBondContact OH-CE1 3.34Å; Y192-Y265 PolarHBondContact OH-OH 2.8Å |
| 193 | I | 40.5 | Very low | 43.7 | Very low | 66 Ų | 66 | 91 Ų | 91 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 175.1 | -67.9 | 166.7 | 0 | 0 | 0 | 110.1 | K189 F195 F196 M197 | K189-I193 HydrophobicContact CG-CD1 4.04Å; K189-I193 WeakPolarHBondContact O-CD1 3.25Å; K189-I193 VanDerWaalsContact O-CG1 3.27Å; K189-I193 WeakPolarHBondContact O-CG1 3.29Å; K189-I193 PolarHBondContact O-N 3.04Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 PolarHBondContact O-N 3.08Å; I193-F196 PolarHBondContact O-N 3Å; I193-M197 HydrophobicContact CG2-CG 4.38Å; I193-M197 HydrophobicContact CG2-SD 4.15Å; I193-M197 VanDerWaalsContact O-CB 3.31Å; I193-M197 WeakPolarHBondContact O-CB 3.38Å; I193-M197 WeakPolarHBondContact O-CG 3.45Å; I193-M197 PolarHBondContact O-N 3.21Å |
| 194 | S | 34.7 | Very low | 46 | Very low | 44 Ų | 44 | 88.6 Ų | 88.6 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | E190 V191 S198 | E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 3.38Å; V191-S194 PolarHBondContact O-N 3.15Å; S194-S198 PolarHBondContact O-N 3.06Å |
| 195 | F | 36.3 | Very low | 48.7 | Very low | 94 Ų | 94 | 81.7 Ų | 81.7 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -84.1 | -36.1 | -179.9 | -166 | -96.2 | 0 | 0 | 0 | 112 | L177 V191 Y192 I193 M197 S198 C199 | L177-F195 HydrophobicContact CD1-CE2 3.8Å; L177-F195 HydrophobicContact CD1-CZ 4.22Å; L177-F195 HydrophobicContact CG-CE2 4.45Å; V191-F195 WeakPolarHBondContact O-CB 3.38Å; V191-F195 PolarHBondContact O-N 3.04Å; Y192-F195 PolarHBondContact O-N 2.82Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 PolarHBondContact O-N 3.08Å; F195-M197 VanDerWaalsContact C-N 3.3Å; F195-M197 PolarHBondContact O-N 3.35Å; F195-S198 WeakPolarHBondContact O-CA 3.38Å; F195-S198 VanDerWaalsContact O-CB 3.26Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 2.79Å; F195-S198 PolarHBondContact O-OG 3.18Å; F195-C199 PolarHBondContact O-N 2.96Å |
| 196 | F | 41.5 | Very low | 51.3 | Low | 54 Ų | 54 | 70.2 Ų | 70.2 | 24% | 0.237 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 171.4 | -150.5 | -94.6 | 0 | 0 | 0 | 111.2 | Y192 I193 S198 C199 | Y192-F196 WeakPolarHBondContact O-CB 3.47Å; Y192-F196 PolarHBondContact O-N 3.41Å; I193-F196 PolarHBondContact O-N 3Å; F196-S198 PolarHBondContact O-N 3.31Å; F196-C199 CarbonylContact O-C 3.55Å; F196-C199 WeakPolarHBondContact O-CB 3.46Å; F196-C199 PolarHBondContact O-N 3.38Å |
| 197 | M | 38.3 | Very low | 53.7 | Low | 106 Ų | 106 | 72.3 Ų | 72.3 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.2 | 168 | -73.4 | -171.2 | 104 | 0 | 0 | 113.4 | I193 F195 | I193-M197 HydrophobicContact CG2-CG 4.38Å; I193-M197 HydrophobicContact CG2-SD 4.15Å; I193-M197 VanDerWaalsContact O-CB 3.31Å; I193-M197 WeakPolarHBondContact O-CB 3.38Å; I193-M197 WeakPolarHBondContact O-CG 3.45Å; I193-M197 PolarHBondContact O-N 3.21Å; F195-M197 VanDerWaalsContact C-N 3.3Å; F195-M197 PolarHBondContact O-N 3.35Å |
| 198 | S | 36.2 | Very low | 55.6 | Low | 29 Ų | 29 | 71.4 Ų | 71.4 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21.5 | 173.6 | 83.5 | 0 | 0 | 0 | 0 | 113.1 | S194 F195 F196 A200 | S194-S198 PolarHBondContact O-N 3.06Å; F195-S198 WeakPolarHBondContact O-CA 3.38Å; F195-S198 VanDerWaalsContact O-CB 3.26Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 2.79Å; F195-S198 PolarHBondContact O-OG 3.18Å; F196-S198 PolarHBondContact O-N 3.31Å; S198-A200 PolarHBondContact O-N 2.92Å; S198-A200 VanDerWaalsContact O-N 3.15Å |
| 199 | C | 45.7 | Very low | 57.6 | Low | 26 Ų | 26 | 63.3 Ų | 63.3 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -88.1 | 56.8 | 170.5 | -59 | 0 | 0 | 0 | 0 | 109.7 | L27 F195 F196 F201 | L27-C199 HydrophobicContact CD1-CB 3.74Å; L27-C199 WeakPolarHBondContact CD1-SG 3.2Å; L27-C199 HydrophobicContact CD2-CB 4.09Å; L27-C199 HydrophobicContact CG-CB 4.47Å; F195-C199 PolarHBondContact O-N 2.96Å; F196-C199 CarbonylContact O-C 3.55Å; F196-C199 WeakPolarHBondContact O-CB 3.46Å; F196-C199 PolarHBondContact O-N 3.38Å; C199-F201 PolarHBondContact O-N 3.41Å; C199-F201 VanDerWaalsContact O-N 3.1Å |
| 200 | A | 53.9 | Low | 59.7 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | trans | -69.7 | 108.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | H171 S198 | H171-A200 WeakPolarHBondContact CB-O 3.28Å; H171-A200 PolarHBondContact N-O 3.28Å; H171-A200 VanDerWaalsContact N-O 3.07Å; S198-A200 PolarHBondContact O-N 2.92Å; S198-A200 VanDerWaalsContact O-N 3.15Å | ||
| 201 | F | 63.3 | Low | 61.8 | Low | 29 Ų | 29 | 63.9 Ų | 63.9 | 13% | 0.127 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140.6 | 156.3 | -68.1 | -86 | 0 | 0 | 0 | 108.6 | Y30 L31 V168 E169 A170 C199 A277 | Y30-F201 HydrophobicContact CD1-CE2 4.13Å; Y30-F201 HydrophobicContact CD1-CZ 4.04Å; Y30-F201 HydrophobicContact CE1-CE2 4.11Å; Y30-F201 HydrophobicContact CE1-CZ 4.29Å; L31-F201 HydrophobicContact CD2-CD1 4.48Å; L31-F201 HydrophobicContact CD2-CE1 3.21Å; L31-F201 HydrophobicContact CD2-CZ 3.35Å; L31-F201 HydrophobicContact CG-CE1 4.31Å; L31-F201 HydrophobicContact CG-CZ 3.97Å; V168-F201 HydrophobicContact CG1-CD1 3.82Å; V168-F201 HydrophobicContact CG1-CE1 4.3Å; E169-F201 CarbonylContact O-C 3.5Å; E169-F201 WeakPolarHBondContact O-CA 3.4Å; A170-F201 HydrophobicContact CB-CD1 4.33Å; A170-F201 HydrophobicContact CB-CE1 4.15Å; C199-F201 PolarHBondContact O-N 3.41Å; C199-F201 VanDerWaalsContact O-N 3.1Å; F201-A277 HydrophobicContact CB-CB 3.81Å; F201-A277 WeakPolarHBondContact O-CA 3.07Å; F201-A277 WeakPolarHBondContact O-CB 3.45Å |
| 202 | Q | 74.9 | Confident | 64.3 | Low | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.1 | 163.8 | -171.3 | 175.6 | -9.6 | 0 | 0 | 107.8 | E169 H171 | E169-Q202 PolarHBondContact N-O 3.09Å; E169-Q202 PolarHBondContact O-N 2.93Å; H171-Q202 PolarHBondContact NE2-OE1 3.01Å |
| 203 | I | 81.5 | Confident | 66.7 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109 | 178.2 | -56.4 | 160.7 | 0 | 0 | 0 | 107.3 | M163 C167 W212 M274 A277 F278 E279 | M163-I203 HydrophobicContact CG-CG2 3.89Å; M163-I203 HydrophobicContact SD-CB 4.29Å; M163-I203 HydrophobicContact SD-CD1 3.44Å; M163-I203 WeakPolarHBondContact SD-CD1 3.35Å; M163-I203 HydrophobicContact SD-CG1 3.72Å; M163-I203 HydrophobicContact SD-CG2 3.58Å; M163-I203 VanDerWaalsContact SD-CG2 3.58Å; C167-I203 WeakPolarHBondContact O-CA 3.06Å; I203-W212 HydrophobicContact CG2-CH2 4.02Å; I203-M274 HydrophobicContact CD1-CG 3.79Å; I203-M274 HydrophobicContact CD1-SD 4.19Å; I203-A277 HydrophobicContact CD1-CB 3.67Å; I203-A277 HydrophobicContact CG1-CB 3.97Å; I203-A277 PolarHBondContact N-O 2.81Å; I203-F278 HydrophobicContact CB-CD1 3.91Å; I203-F278 HydrophobicContact CB-CE1 4.2Å; I203-F278 HydrophobicContact CD1-CD1 3.96Å; I203-F278 HydrophobicContact CD1-CD2 4.46Å; I203-F278 HydrophobicContact CD1-CE1 3.77Å; I203-F278 HydrophobicContact CD1-CE2 4.29Å; I203-F278 HydrophobicContact CD1-CG 4.3Å; I203-F278 HydrophobicContact CD1-CZ 3.95Å; I203-F278 HydrophobicContact CG2-CD1 3.76Å; I203-F278 HydrophobicContact CG2-CE1 3.72Å; I203-E279 PolarHBondContact O-N 3.47Å |
| 204 | R | 87.1 | Confident | 69.1 | Low | 94 Ų | 94 | 58.9 Ų | 58.9 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 150.8 | 179.5 | -62.2 | -172 | -59.6 | -144.5 | -12.6 | 112 | N166 C167 E169 E279 | N166-R204 PolarHBondContact O-NH2 3.43Å; C167-R204 WeakPolarHBondContact CB-O 3.45Å; C167-R204 PolarHBondContact O-N 3.18Å; E169-R204 VanDerWaalsContact CD-NH1 3.28Å; E169-R204 IonicContact OE1-CZ 2.89Å; E169-R204 IonicContact OE1-NE 3.85Å; E169-R204 IonicContact OE1-NH1 2.68Å; E169-R204 PolarHBondContact OE1-NH1 3.34Å; E169-R204 IonicContact OE1-NH2 2.76Å; E169-R204 PolarHBondContact OE1-NH2 3.07Å; E169-R204 IonicContact OE2-CZ 3.68Å; E169-R204 IonicContact OE2-NH1 3.34Å; E169-R204 PolarHBondContact OE2-NH1 2.91Å; R204-E279 WeakPolarHBondContact CA-OE1 3.18Å |
| 205 | T | 88.3 | Confident | 71.7 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 127.5 | 170.4 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | K207 W212 E279 I282 | T205-K207 PolarHBondContact O-N 3.31Å; T205-W212 HydrophobicContact CG2-CE3 4.14Å; T205-E279 WeakPolarHBondContact CB-OE2 3.21Å; T205-E279 PolarHBondContact N-OE2 2.89Å; T205-E279 PolarHBondContact OG1-OE2 3.04Å; T205-I282 HydrophobicContact CG2-CD1 4.25Å; T205-I282 WeakPolarHBondContact OG1-CD1 3.37Å |
| 206 | P | 88.8 | Confident | 74.2 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 131 | -179.8 | 28.5 | -33.3 | 0 | 0 | 0 | 111.6 | P164 V209 W212 | P164-P206 HydrophobicContact CG-CB 3.93Å; P164-P206 HydrophobicContact CG-CG 4.38Å; P206-V209 HydrophobicContact CB-CG2 3.98Å; P206-V209 HydrophobicContact CG-CB 4.14Å; P206-V209 HydrophobicContact CG-CG2 3.96Å; P206-W212 HydrophobicContact CG-CB 4.23Å; P206-W212 HydrophobicContact CG-CD2 3.54Å; P206-W212 HydrophobicContact CG-CE3 4.09Å; P206-W212 HydrophobicContact CG-CG 3.59Å; P206-W212 HydrophobicContact CG-CZ2 4.27Å |
| 207 | K | 85.2 | Confident | 76.3 | Confident | 201 Ų | 201 | 49.8 Ų | 49.8 | 87% | 0.874 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 134.9 | 178.2 | -62.4 | -176.2 | -179 | -178.9 | 0 | 111.1 | K148 T205 | K148-K207 PolarHBondContact NZ-O 3.13Å; T205-K207 PolarHBondContact O-N 3.31Å |
| 208 | G | 79.5 | Confident | 78.4 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 27 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K148 | K148-G208 PolarHBondContact NZ-O 3.29Š|
| 209 | V | 81.5 | Confident | 80.4 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | trans | -113.4 | 103.2 | 167.4 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | V159 P206 W212 | V159-V209 HydrophobicContact CG1-CG1 4.42Å; V159-V209 HydrophobicContact CG2-CG2 4.47Å; P206-V209 HydrophobicContact CB-CG2 3.98Å; P206-V209 HydrophobicContact CG-CB 4.14Å; P206-V209 HydrophobicContact CG-CG2 3.96Å; V209-W212 HydrophobicContact CB-CB 4.2Å; V209-W212 HydrophobicContact CG1-CB 3.83Å; V209-W212 HydrophobicContact CG1-CG 4.32Å | ||
| 210 | N | 80.4 | Confident | 81.6 | Confident | 162 Ų | 162 | 42.7 Ų | 42.7 | 87% | 0.866 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 132.3 | 177.8 | -68.2 | -16.8 | 0 | 0 | 0 | 109.9 | W212 | N210-W212 PolarHBondContact O-N 2.93Š|
| 211 | G | 83.7 | Confident | 82 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 31 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K213 | G211-K213 PolarHBondContact O-N 3.43Š|
| 212 | W | 89.1 | Confident | 81.7 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | trans | -58.2 | 124.3 | 175.4 | -176.6 | 63.4 | 0 | 0 | 0 | 111.2 | I162 I203 T205 P206 V209 N210 P214 F278 I282 | I162-W212 PolarHBondContact O-NE1 3.01Å; I203-W212 HydrophobicContact CG2-CH2 4.02Å; T205-W212 HydrophobicContact CG2-CE3 4.14Å; P206-W212 HydrophobicContact CG-CB 4.23Å; P206-W212 HydrophobicContact CG-CD2 3.54Å; P206-W212 HydrophobicContact CG-CE3 4.09Å; P206-W212 HydrophobicContact CG-CG 3.59Å; P206-W212 HydrophobicContact CG-CZ2 4.27Å; V209-W212 HydrophobicContact CB-CB 4.2Å; V209-W212 HydrophobicContact CG1-CB 3.83Å; V209-W212 HydrophobicContact CG1-CG 4.32Å; N210-W212 PolarHBondContact O-N 2.93Å; W212-P214 HydrophobicContact CH2-CG 4.07Å; W212-P214 HydrophobicContact CZ2-CB 3.93Å; W212-P214 HydrophobicContact CZ2-CG 3.92Å; W212-P214 HydrophobicContact CZ3-CG 4.46Å; W212-F278 AromaticContact CH2-CD1 3.97Å; W212-F278 HydrophobicContact CH2-CD1 3.97Å; W212-F278 AromaticContact CH2-CE1 3.86Å; W212-F278 HydrophobicContact CH2-CE1 3.86Å; W212-F278 HydrophobicContact CZ2-CE1 4.34Å; W212-F278 HydrophobicContact CZ3-CD1 4.48Å; W212-I282 HydrophobicContact CE3-CD1 4.16Å; W212-I282 HydrophobicContact CE3-CG2 4.13Å; W212-I282 HydrophobicContact CZ3-CD1 4.08Å; W212-I282 HydrophobicContact CZ3-CG1 4.38Å; W212-I282 HydrophobicContact CZ3-CG2 3.8Å | ||
| 213 | K | 89.9 | Confident | 80.7 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | trans | -142.9 | 89.8 | 179.6 | -66.4 | -175.5 | -171.6 | -170.5 | 0 | 108.5 | K160 F161 G211 L215 E283 Y285 | K160-K213 CarbonylContact O-C 3.59Å; K160-K213 VanDerWaalsContact O-C 3.23Å; K160-K213 PolarHBondContact O-N 2.91Å; K160-K213 VanDerWaalsContact O-O 3.09Å; F161-K213 WeakPolarHBondContact CD1-O 3.47Å; G211-K213 PolarHBondContact O-N 3.43Å; K213-L215 PolarHBondContact O-N 2.94Å; K213-E283 WeakPolarHBondContact CA-O 3.33Å; K213-E283 WeakPolarHBondContact CD-OE1 3.22Å; K213-E283 WeakPolarHBondContact CE-OE1 3.46Å; K213-E283 IonicContact NZ-OE1 2.8Å; K213-E283 PolarHBondContact NZ-OE1 2.98Å; K213-Y285 HydrophobicContact CB-CD2 3.81Å; K213-Y285 HydrophobicContact CB-CE2 3.66Å; K213-Y285 HydrophobicContact CD-CD2 4.49Å; K213-Y285 HydrophobicContact CD-CE2 3.61Å; K213-Y285 HydrophobicContact CG-CE2 4.29Å | ||
| 214 | P | 90.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -61.1 | 139.9 | -172.7 | 23.7 | -31.8 | 0 | 0 | 0 | 111 | W212 F278 I282 C284 Y285 | W212-P214 HydrophobicContact CH2-CG 4.07Å; W212-P214 HydrophobicContact CZ2-CB 3.93Å; W212-P214 HydrophobicContact CZ2-CG 3.92Å; W212-P214 HydrophobicContact CZ3-CG 4.46Å; P214-F278 HydrophobicContact CB-CE1 3.94Å; P214-F278 HydrophobicContact CB-CZ 3.91Å; P214-F278 HydrophobicContact CG-CD1 4.12Å; P214-F278 HydrophobicContact CG-CE1 3.41Å; P214-F278 VanDerWaalsContact CG-CE1 3.41Å; P214-F278 HydrophobicContact CG-CE2 4.39Å; P214-F278 HydrophobicContact CG-CZ 3.57Å; P214-I282 HydrophobicContact CG-CG2 4.26Å; P214-C284 HydrophobicContact CG-CB 3.91Å; P214-C284 CarbonylContact O-C 3.52Å; P214-C284 WeakPolarHBondContact O-CA 3.43Å; P214-C284 WeakPolarHBondContact O-CB 3.45Å; P214-Y285 PolarHBondContact O-N 2.94Å | ||
| 215 | L | 90.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.6 | 176.6 | 178.7 | 62.3 | 0 | 0 | 0 | 110.3 | F161 K213 V217 M235 L239 Q243 Y285 L287 F348 L351 | F161-L215 HydrophobicContact CB-CB 3.94Å; F161-L215 HydrophobicContact CD1-CB 4.18Å; F161-L215 HydrophobicContact CG-CB 4.43Å; F161-L215 PolarHBondContact O-N 3.49Å; K213-L215 PolarHBondContact O-N 2.94Å; L215-V217 HydrophobicContact CD2-CG2 3.91Å; L215-V217 HydrophobicContact CG-CG2 3.9Å; L215-M235 HydrophobicContact CD2-CE 4.4Å; L215-M235 HydrophobicContact CD2-SD 4.32Å; L215-L239 HydrophobicContact CB-CD1 4.46Å; L215-L239 HydrophobicContact CD2-CD1 4.15Å; L215-L239 HydrophobicContact CG-CD1 4.31Å; L215-Q243 WeakPolarHBondContact O-CB 3.49Å; L215-Q243 PolarHBondContact O-NE2 3.3Å; L215-Y285 CarbonylContact C-O 3.28Å; L215-Y285 WeakPolarHBondContact CA-O 3.36Å; L215-L287 HydrophobicContact CD1-CB 3.85Å; L215-F348 HydrophobicContact CD2-CD1 4.18Å; L215-F348 HydrophobicContact CD2-CE1 3.67Å; L215-L351 HydrophobicContact CD1-CD1 3.73Å; L215-L351 HydrophobicContact CD2-CD1 3.72Å; L215-L351 HydrophobicContact CG-CD1 4.34Å |
| 216 | I | 87.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.3 | 166.3 | -55.9 | -176.3 | 0 | 0 | 0 | 107.9 | Q243 L272 M274 L275 F278 Y285 V286 L287 | I216-Q243 CarbonylContact C-O 3.55Å; I216-Q243 WeakPolarHBondContact CA-O 3.43Å; I216-L272 HydrophobicContact CG2-CD2 4.1Å; I216-M274 HydrophobicContact CD1-CE 3.57Å; I216-M274 HydrophobicContact CG1-CE 3.84Å; I216-L275 HydrophobicContact CD1-CD2 3.43Å; I216-L275 VanDerWaalsContact CD1-CD2 3.43Å; I216-L275 HydrophobicContact CD1-CG 4Å; I216-F278 HydrophobicContact CD1-CE2 4.27Å; I216-Y285 PolarHBondContact N-O 2.78Å; I216-V286 HydrophobicContact CB-CG2 4.46Å; I216-V286 CarbonylContact O-C 3.47Å; I216-V286 WeakPolarHBondContact O-CA 3.38Å; I216-L287 PolarHBondContact O-N 2.93Å |
| 217 | V | 85.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.4 | -178.6 | -178 | 0 | 0 | 0 | 0 | 109.5 | L215 V231 M235 L239 Q243 A245 L287 | L215-V217 HydrophobicContact CD2-CG2 3.91Å; L215-V217 HydrophobicContact CG-CG2 3.9Å; V217-V231 HydrophobicContact CG1-CG1 4.48Å; V217-M235 HydrophobicContact CB-CG 4.46Å; V217-M235 HydrophobicContact CG1-CB 4.48Å; V217-M235 HydrophobicContact CG1-CG 4.14Å; V217-M235 HydrophobicContact CG2-CB 4.21Å; V217-M235 HydrophobicContact CG2-CG 3.88Å; V217-M235 HydrophobicContact CG2-SD 3.94Å; V217-L239 HydrophobicContact CG2-CD1 3.68Å; V217-Q243 PolarHBondContact N-O 3.27Å; V217-A245 PolarHBondContact O-N 3.02Å; V217-L287 HydrophobicContact CG1-CD2 4.33Å; V217-L287 HydrophobicContact CG2-CB 4.48Å; V217-L287 HydrophobicContact CG2-CD2 4.32Å |
| 218 | F | 83.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.3 | 168.7 | -179.8 | -84.3 | 0 | 0 | 0 | 108.4 | N220 S247 P268 L287 V288 A289 W297 V298 | F218-N220 HydrophobicContact CE1-CB 4.46Å; F218-S247 VanDerWaalsContact CZ-CB 3.45Å; F218-P268 HydrophobicContact CD2-CB 4.29Å; F218-P268 HydrophobicContact CE2-CB 3.88Å; F218-P268 HydrophobicContact CE2-CG 4.01Å; F218-P268 HydrophobicContact CZ-CG 4.25Å; F218-L287 PolarHBondContact N-O 3.45Å; F218-V288 HydrophobicContact CD1-CG1 3.99Å; F218-V288 CarbonylContact O-C 3.53Å; F218-V288 WeakPolarHBondContact O-CA 3.09Å; F218-A289 PolarHBondContact O-N 3.27Å; F218-W297 HydrophobicContact CE2-CZ3 4.43Å; F218-W297 AromaticContact CZ-CE3 3.82Å; F218-W297 HydrophobicContact CZ-CE3 3.82Å; F218-W297 AromaticContact CZ-CZ3 3.69Å; F218-W297 HydrophobicContact CZ-CZ3 3.69Å; F218-V298 HydrophobicContact CB-CG2 4.37Å; F218-V298 HydrophobicContact CD1-CG2 3.63Å; F218-V298 HydrophobicContact CD2-CG2 4.06Å; F218-V298 HydrophobicContact CE1-CG2 3.78Å; F218-V298 HydrophobicContact CE2-CG2 4.19Å; F218-V298 HydrophobicContact CG-CG2 3.75Å; F218-V298 HydrophobicContact CZ-CG2 4.04Å |
| 219 | A | 77.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R221 L232 A289 | A219-R221 PolarHBondContact O-N 2.86Å; A219-L232 HydrophobicContact CB-CD1 3.9Å; A219-L232 HydrophobicContact CB-CD2 3.68Å; A219-L232 HydrophobicContact CB-CG 3.53Å; A219-A289 WeakPolarHBondContact CA-O 3.27Å; A219-A289 HydrophobicContact CB-CB 3.8Å |
| 220 | N | 71.3 | Confident | 73.6 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 102.2 | 172.8 | -174.7 | -10.1 | 0 | 0 | 0 | 109.6 | F218 S222 S223 A289 S294 | F218-N220 HydrophobicContact CE1-CB 4.46Å; N220-S222 PolarHBondContact O-N 2.89Å; N220-S222 VanDerWaalsContact O-N 3.09Å; N220-S222 WeakPolarHBondContact OD1-CA 3.38Å; N220-S222 VanDerWaalsContact OD1-CB 3.31Å; N220-S222 WeakPolarHBondContact OD1-CB 3.49Å; N220-S222 PolarHBondContact OD1-N 2.83Å; N220-S223 WeakPolarHBondContact CB-OG 3.46Å; N220-S223 VanDerWaalsContact CG-OG 3.23Å; N220-S223 PolarHBondContact ND2-OG 2.97Å; N220-S223 VanDerWaalsContact ND2-OG 3.07Å; N220-S223 WeakPolarHBondContact O-CB 3.42Å; N220-S223 PolarHBondContact O-N 2.94Å; N220-S223 VanDerWaalsContact O-N 3.11Å; N220-A289 PolarHBondContact N-O 2.98Å; N220-S294 PolarHBondContact ND2-OG 3.3Å |
| 221 | R | 63.6 | Low | 73.6 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.1 | 176.9 | -68.5 | -178.2 | 171.6 | -163.4 | -4.9 | 113.7 | A219 L232 L246 | A219-R221 PolarHBondContact O-N 2.86Å; R221-L232 HydrophobicContact CG-CD1 4.08Å; R221-L246 VanDerWaalsContact CZ-CD2 3.47Å; R221-L246 VanDerWaalsContact NE-CD2 3.3Å |
| 222 | S | 55.4 | Low | 73.5 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.9 | -179.9 | -46.4 | 0 | 0 | 0 | 0 | 113.4 | N220 | N220-S222 PolarHBondContact O-N 2.89Å; N220-S222 VanDerWaalsContact O-N 3.09Å; N220-S222 WeakPolarHBondContact OD1-CA 3.38Å; N220-S222 VanDerWaalsContact OD1-CB 3.31Å; N220-S222 WeakPolarHBondContact OD1-CB 3.49Å; N220-S222 PolarHBondContact OD1-N 2.83Å |
| 223 | S | 55.2 | Low | 73.1 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -92 | 129.3 | -176.9 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | N220 L322 | N220-S223 WeakPolarHBondContact CB-OG 3.46Å; N220-S223 VanDerWaalsContact CG-OG 3.23Å; N220-S223 PolarHBondContact ND2-OG 2.97Å; N220-S223 VanDerWaalsContact ND2-OG 3.07Å; N220-S223 WeakPolarHBondContact O-CB 3.42Å; N220-S223 PolarHBondContact O-N 2.94Å; N220-S223 VanDerWaalsContact O-N 3.11Å; S223-L322 VanDerWaalsContact CB-O 3.28Å; S223-L322 WeakPolarHBondContact CB-O 2.96Å |
| 224 | G | 52.9 | Low | 72.8 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -136.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G226 | G224-G226 PolarHBondContact O-N 2.83Š|
| 225 | S | 52.5 | Low | 72.7 | Confident | 83 Ų | 83 | 28.5 Ų | 28.5 | 58% | 0.58 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | 1.5 | 178.1 | 32.7 | 0 | 0 | 0 | 0 | 114.9 | D227 | S225-D227 WeakPolarHBondContact CB-OD2 3.49Å; S225-D227 PolarHBondContact OG-OD2 3.34Å |
| 226 | G | 56.9 | Low | 72.5 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 38% | 0.381 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 82.4 | 9.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G224 G228 G229 | G224-G226 PolarHBondContact O-N 2.83Å; G226-G228 PolarHBondContact O-N 3.08Å; G226-G229 PolarHBondContact O-N 2.86Å |
| 227 | D | 65.6 | Low | 72.5 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.1 | -177.9 | -71.9 | -43 | 0 | 0 | 0 | 114.5 | S225 G229 R230 V231 L322 | S225-D227 WeakPolarHBondContact CB-OD2 3.49Å; S225-D227 PolarHBondContact OG-OD2 3.34Å; D227-G229 PolarHBondContact O-N 3.3Å; D227-G229 VanDerWaalsContact O-N 3.16Å; D227-R230 WeakPolarHBondContact O-CB 3.31Å; D227-R230 PolarHBondContact O-N 3.42Å; D227-R230 IonicContact OD1-NE 3.99Å; D227-V231 PolarHBondContact O-N 2.96Å; D227-V231 VanDerWaalsContact O-N 3.1Å; D227-L322 HydrophobicContact CB-CD2 4.13Å |
| 228 | G | 69.9 | Low | 72.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.5 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G226 L232 | G226-G228 PolarHBondContact O-N 3.08Å; G228-L232 WeakPolarHBondContact O-CD1 3.13Å; G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 2.97Å; G228-L232 VanDerWaalsContact O-N 3.13Å |
| 229 | G | 70.1 | Confident | 72.9 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 26% | 0.258 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G226 D227 L232 R233 | G226-G229 PolarHBondContact O-N 2.86Å; D227-G229 PolarHBondContact O-N 3.3Å; D227-G229 VanDerWaalsContact O-N 3.16Å; G229-L232 PolarHBondContact O-N 3.14Å; G229-R233 WeakPolarHBondContact O-CB 3.47Å; G229-R233 PolarHBondContact O-N 3.4Å |
| 230 | R | 75.2 | Confident | 73.3 | Confident | 169 Ų | 169 | 31.6 Ų | 31.6 | 64% | 0.638 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -69.4 | -41.5 | 179.8 | -60.4 | -177.6 | 175.9 | -161.3 | -1.7 | 111.8 | D227 L232 R233 S234 V342 | D227-R230 WeakPolarHBondContact O-CB 3.31Å; D227-R230 PolarHBondContact O-N 3.42Å; D227-R230 IonicContact OD1-NE 3.99Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.26Å; R230-R233 PolarHBondContact O-N 3.02Å; R230-S234 WeakPolarHBondContact O-CB 3.25Å; R230-S234 PolarHBondContact O-N 2.99Å; R230-V342 HydrophobicContact CB-CG1 3.32Å; R230-V342 HydrophobicContact CG-CG1 4.4Å |
| 231 | V | 79.5 | Confident | 73.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | V217 D227 S234 M235 A289 L320 L322 V342 I347 | V217-V231 HydrophobicContact CG1-CG1 4.48Å; D227-V231 PolarHBondContact O-N 2.96Å; D227-V231 VanDerWaalsContact O-N 3.1Å; V231-S234 PolarHBondContact O-N 3.45Å; V231-M235 HydrophobicContact CG1-CG 4.44Å; V231-M235 WeakPolarHBondContact O-CB 3.3Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.39Å; V231-M235 PolarHBondContact O-N 3.34Å; V231-A289 HydrophobicContact CB-CB 4.49Å; V231-A289 HydrophobicContact CG1-CB 4.03Å; V231-L320 HydrophobicContact CG1-CD2 4.01Å; V231-L320 HydrophobicContact CG2-CD2 3.72Å; V231-L322 HydrophobicContact CG2-CD1 4.27Å; V231-V342 HydrophobicContact CG2-CG1 4.5Å; V231-I347 HydrophobicContact CG1-CD1 4.48Å |
| 232 | L | 81.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.5 | -68.2 | 165.7 | 0 | 0 | 0 | 111.7 | A219 R221 G228 G229 R230 S234 M235 R236 V244 L246 | A219-L232 HydrophobicContact CB-CD1 3.9Å; A219-L232 HydrophobicContact CB-CD2 3.68Å; A219-L232 HydrophobicContact CB-CG 3.53Å; R221-L232 HydrophobicContact CG-CD1 4.08Å; G228-L232 WeakPolarHBondContact O-CD1 3.13Å; G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 2.97Å; G228-L232 VanDerWaalsContact O-N 3.13Å; G229-L232 PolarHBondContact O-N 3.14Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.26Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 2.97Å; L232-M235 PolarHBondContact O-N 2.94Å; L232-R236 WeakPolarHBondContact O-CB 3.12Å; L232-R236 WeakPolarHBondContact O-CG 3.44Å; L232-R236 PolarHBondContact O-N 3.13Å; L232-V244 HydrophobicContact CB-CG1 4.42Å; L232-V244 HydrophobicContact CD2-CG1 3.43Å; L232-V244 VanDerWaalsContact CD2-CG1 3.43Å; L232-L246 HydrophobicContact CD1-CD2 3.5Å; L232-L246 VanDerWaalsContact CD1-CD2 3.5Å; L232-L246 HydrophobicContact CD1-CG 4.38Å |
| 233 | R | 81.3 | Confident | 75.8 | Confident | 78 Ų | 78 | 27.2 Ų | 27.2 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.9 | -46 | 177.9 | 175.6 | 165.9 | 178.9 | -173.4 | 1.3 | 111.8 | E61 D63 G229 R230 M235 R237 | E61-R233 IonicContact OE2-CZ 3.23Å; E61-R233 IonicContact OE2-NH2 3.53Å; E61-R233 PolarHBondContact OE2-NH2 3.33Å; D63-R233 HydrophobicContact CB-CG 4.43Å; D63-R233 VanDerWaalsContact OD1-CD 3.27Å; D63-R233 WeakPolarHBondContact OD1-CD 3.48Å; D63-R233 VanDerWaalsContact OD1-CG 3.29Å; D63-R233 WeakPolarHBondContact OD1-CG 3.37Å; D63-R233 IonicContact OD1-NE 3.17Å; G229-R233 WeakPolarHBondContact O-CB 3.47Å; G229-R233 PolarHBondContact O-N 3.4Å; R230-R233 PolarHBondContact O-N 3.02Å; R233-M235 PolarHBondContact O-N 3.02Å; R233-R237 PolarHBondContact O-N 2.98Å |
| 234 | S | 84.2 | Confident | 76.8 | Confident | 32 Ų | 32 | 27.1 Ų | 27.1 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 176.1 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | R230 V231 L232 V342 A344 | R230-S234 WeakPolarHBondContact O-CB 3.25Å; R230-S234 PolarHBondContact O-N 2.99Å; V231-S234 PolarHBondContact O-N 3.45Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 2.97Å; S234-V342 VanDerWaalsContact CB-O 3.28Å; S234-V342 WeakPolarHBondContact CB-O 3.42Å; S234-V342 PolarHBondContact OG-O 2.86Å; S234-A344 PolarHBondContact OG-N 3.49Å |
| 235 | M | 86.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.5 | -38 | -178.7 | -71.9 | -69.2 | 177 | 0 | 0 | 113.9 | L215 V217 V231 L232 R233 R237 L238 L239 V244 L287 A344 I347 F348 | L215-M235 HydrophobicContact CD2-CE 4.4Å; L215-M235 HydrophobicContact CD2-SD 4.32Å; V217-M235 HydrophobicContact CB-CG 4.46Å; V217-M235 HydrophobicContact CG1-CB 4.48Å; V217-M235 HydrophobicContact CG1-CG 4.14Å; V217-M235 HydrophobicContact CG2-CB 4.21Å; V217-M235 HydrophobicContact CG2-CG 3.88Å; V217-M235 HydrophobicContact CG2-SD 3.94Å; V231-M235 HydrophobicContact CG1-CG 4.44Å; V231-M235 WeakPolarHBondContact O-CB 3.3Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.39Å; V231-M235 PolarHBondContact O-N 3.34Å; L232-M235 PolarHBondContact O-N 2.94Å; R233-M235 PolarHBondContact O-N 3.02Å; M235-R237 PolarHBondContact O-N 3.22Å; M235-L238 PolarHBondContact O-N 2.88Å; M235-L238 VanDerWaalsContact O-N 3.12Å; M235-L239 HydrophobicContact CB-CD1 4.29Å; M235-L239 WeakPolarHBondContact O-CB 3.49Å; M235-L239 PolarHBondContact O-N 2.84Å; M235-L239 HydrophobicContact SD-CD1 3.96Å; M235-L239 HydrophobicContact SD-CG 4.46Å; M235-V244 HydrophobicContact CB-CG2 4.02Å; M235-L287 HydrophobicContact CE-CD2 4.1Å; M235-A344 HydrophobicContact CE-CB 3.99Å; M235-A344 HydrophobicContact SD-CB 3.97Å; M235-I347 HydrophobicContact CE-CB 3.65Å; M235-I347 HydrophobicContact CE-CD1 3.33Å; M235-I347 HydrophobicContact CE-CG1 4.07Å; M235-I347 HydrophobicContact CE-CG2 3.48Å; M235-I347 VanDerWaalsContact CE-CG2 3.48Å; M235-F348 HydrophobicContact SD-CE1 4.49Å; M235-F348 HydrophobicContact SD-CZ 4.31Å |
| 236 | R | 86.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.7 | -33.3 | 177 | -78 | 174.5 | -177.1 | 156.7 | -9.6 | 112.7 | H36 D63 Y64 L232 L238 V244 L246 | H36-R236 PolarHBondContact CD2-NH1 3.01Å; H36-R236 VanDerWaalsContact CD2-NH1 3.26Å; H36-R236 PolarHBondContact NE2-NH1 2.86Å; D63-R236 HydrophobicContact CB-CB 4.06Å; D63-R236 CarbonylContact O-C 3.6Å; D63-R236 WeakPolarHBondContact O-CB 3.48Å; D63-R236 IonicContact OD2-CZ 3.85Å; D63-R236 IonicContact OD2-NH1 3.43Å; D63-R236 PolarHBondContact OD2-NH1 3.34Å; Y64-R236 HydrophobicContact CD1-CB 3.7Å; Y64-R236 HydrophobicContact CD1-CG 3.95Å; Y64-R236 HydrophobicContact CE1-CB 3.88Å; Y64-R236 HydrophobicContact CE1-CG 3.58Å; L232-R236 WeakPolarHBondContact O-CB 3.12Å; L232-R236 WeakPolarHBondContact O-CG 3.44Å; L232-R236 PolarHBondContact O-N 3.13Å; R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.07Å; R236-V244 HydrophobicContact CG-CB 4.09Å; R236-V244 HydrophobicContact CG-CG1 3.85Å; R236-V244 HydrophobicContact CG-CG2 4.27Å; R236-L246 VanDerWaalsContact NH2-CG 3.28Å |
| 237 | R | 87.1 | Confident | 76.3 | Confident | 48 Ų | 48 | 22.5 Ų | 22.5 | 18% | 0.181 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 178.3 | -162.5 | 64.4 | 112.1 | 85.7 | -5 | 112.1 | E61 D63 G66 K84 R124 Q129 R233 M235 | E61-R237 IonicContact OE1-CZ 2.63Å; E61-R237 IonicContact OE1-NE 3.29Å; E61-R237 IonicContact OE1-NH2 3.11Å; E61-R237 PolarHBondContact OE1-NH2 2.97Å; D63-R237 WeakPolarHBondContact O-CA 3.4Å; D63-R237 PolarHBondContact O-N 3.43Å; G66-R237 VanDerWaalsContact CA-CZ 3.41Å; G66-R237 VanDerWaalsContact CA-NH2 3.35Å; K84-R237 PolarHBondContact NZ-O 3.25Å; R124-R237 VanDerWaalsContact NE-NH1 3.14Å; Q129-R237 PolarHBondContact NE2-O 2.61Å; R233-R237 PolarHBondContact O-N 2.98Å; M235-R237 PolarHBondContact O-N 3.22Å |
| 238 | L | 88.6 | Confident | 74.9 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 9% | 0.089 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -99.4 | -46.5 | -171.7 | -56.4 | -176.6 | 0 | 0 | 0 | 112.5 | K84 Q129 M235 R236 A344 F348 | K84-L238 VanDerWaalsContact NZ-C 3.26Å; K84-L238 PolarHBondContact NZ-O 3.31Å; Q129-L238 HydrophobicContact CG-CD2 3.46Å; Q129-L238 VanDerWaalsContact CG-CD2 3.46Å; M235-L238 PolarHBondContact O-N 2.88Å; M235-L238 VanDerWaalsContact O-N 3.12Å; R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.07Å; L238-A344 HydrophobicContact CD1-CB 3.44Å; L238-A344 VanDerWaalsContact CD1-CB 3.44Å; L238-A344 HydrophobicContact CG-CB 4.44Å; L238-F348 HydrophobicContact CB-CE2 4.24Å; L238-F348 HydrophobicContact CB-CZ 4.37Å; L238-F348 HydrophobicContact CD1-CD2 4.42Å; L238-F348 HydrophobicContact CD1-CE2 3.57Å; L238-F348 HydrophobicContact CD1-CZ 4.4Å |
| 239 | L | 89 | Confident | 73 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -82.1 | 164.7 | -175.5 | -58.1 | 179.5 | 0 | 0 | 0 | 113 | K84 I162 L215 V217 M235 Q243 V244 F348 | K84-L239 VanDerWaalsContact CE-O 3.32Å; K84-L239 WeakPolarHBondContact CE-O 3.22Å; K84-L239 PolarHBondContact NZ-O 3.16Å; I162-L239 HydrophobicContact CG1-CD2 4.06Å; L215-L239 HydrophobicContact CB-CD1 4.46Å; L215-L239 HydrophobicContact CD2-CD1 4.15Å; L215-L239 HydrophobicContact CG-CD1 4.31Å; V217-L239 HydrophobicContact CG2-CD1 3.68Å; M235-L239 HydrophobicContact CB-CD1 4.29Å; M235-L239 WeakPolarHBondContact O-CB 3.49Å; M235-L239 PolarHBondContact O-N 2.84Å; M235-L239 HydrophobicContact SD-CD1 3.96Å; M235-L239 HydrophobicContact SD-CG 4.46Å; L239-Q243 HydrophobicContact CB-CB 3.96Å; L239-Q243 HydrophobicContact CD1-CB 4.21Å; L239-V244 HydrophobicContact CB-CG2 4.08Å; L239-V244 HydrophobicContact CD1-CG2 4.1Å; L239-F348 HydrophobicContact CD2-CE1 4.04Å; L239-F348 HydrophobicContact CD2-CZ 3.8Å; L239-F348 HydrophobicContact CG-CZ 4.35Å |
| 240 | N | 87.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -62.7 | 141.5 | 168.2 | -173.4 | -60.2 | 0 | 0 | 0 | 109.5 | V86 W127 M163 L242 Q243 | V86-N240 PolarHBondContact O-ND2 3.36Å; W127-N240 HydrophobicContact CH2-CB 4.48Å; W127-N240 HydrophobicContact CZ3-CB 4.37Å; M163-N240 HydrophobicContact CB-CB 4.19Å; M163-N240 HydrophobicContact CE-CB 4.08Å; M163-N240 WeakPolarHBondContact O-CB 3.49Å; M163-N240 PolarHBondContact O-ND2 3.4Å; N240-L242 PolarHBondContact O-N 3.26Å; N240-L242 WeakPolarHBondContact OD1-CB 3.05Å; N240-L242 PolarHBondContact OD1-N 3.11Å; N240-Q243 HydrophobicContact CB-CG 4.11Å; N240-Q243 VanDerWaalsContact O-CB 3.31Å; N240-Q243 WeakPolarHBondContact O-CB 3.25Å; N240-Q243 PolarHBondContact O-N 3.19Å | ||
| 241 | P | 80.8 | Confident | 69 | Low | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -51.7 | -32.9 | 178.8 | -27.5 | 33.8 | 0 | 0 | 0 | 114.4 | Y64 V86 Q243 V244 | Y64-P241 HydrophobicContact CD1-CB 4.17Å; Y64-P241 HydrophobicContact CD1-CG 3.93Å; Y64-P241 HydrophobicContact CE1-CB 3.66Å; Y64-P241 HydrophobicContact CE1-CG 3.96Å; Y64-P241 HydrophobicContact CG-CG 4.42Å; V86-P241 HydrophobicContact CG2-CB 3.87Å; V86-P241 HydrophobicContact CG2-CG 4.09Å; P241-Q243 PolarHBondContact O-N 2.85Å; P241-V244 PolarHBondContact O-N 3.47Å |
| 242 | L | 77.6 | Confident | 66.8 | Low | 15 Ų | 15 | 31.4 Ų | 31.4 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -64.3 | -23.9 | 175.6 | -75.7 | -178.7 | 0 | 0 | 0 | 114.3 | Y30 V86 M163 V168 N240 V244 M274 | Y30-L242 HydrophobicContact CD1-CD2 4.04Å; Y30-L242 HydrophobicContact CE1-CD2 3.23Å; V86-L242 HydrophobicContact CB-CG 4.41Å; V86-L242 HydrophobicContact CG1-CD1 3.31Å; V86-L242 HydrophobicContact CG1-CD2 4.01Å; V86-L242 HydrophobicContact CG1-CG 3.39Å; V86-L242 HydrophobicContact CG2-CG 4.22Å; M163-L242 HydrophobicContact CE-CB 3.38Å; M163-L242 HydrophobicContact CE-CD1 3.49Å; M163-L242 VanDerWaalsContact CE-CD1 3.49Å; M163-L242 HydrophobicContact CE-CG 4.03Å; V168-L242 HydrophobicContact CG1-CD1 3.87Å; V168-L242 HydrophobicContact CG2-CD1 4.41Å; N240-L242 PolarHBondContact O-N 3.26Å; N240-L242 WeakPolarHBondContact OD1-CB 3.05Å; N240-L242 PolarHBondContact OD1-N 3.11Å; L242-V244 VanDerWaalsContact C-N 3.34Å; L242-M274 HydrophobicContact CB-SD 3.65Å; L242-M274 HydrophobicContact CD1-SD 4.36Å; L242-M274 HydrophobicContact CG-SD 4.45Å; L242-M274 VanDerWaalsContact O-CE 3.3Å; L242-M274 WeakPolarHBondContact O-CE 3Å |
| 243 | Q | 83.9 | Confident | 64.5 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -81.4 | -12.4 | -178.9 | -67.6 | -179.5 | -90.1 | 0 | 0 | 113.2 | F161 M163 L215 I216 V217 L239 N240 P241 | F161-Q243 PolarHBondContact O-NE2 2.88Å; M163-Q243 HydrophobicContact CB-CG 3.96Å; M163-Q243 HydrophobicContact CE-CG 4.26Å; L215-Q243 WeakPolarHBondContact O-CB 3.49Å; L215-Q243 PolarHBondContact O-NE2 3.3Å; I216-Q243 CarbonylContact C-O 3.55Å; I216-Q243 WeakPolarHBondContact CA-O 3.43Å; V217-Q243 PolarHBondContact N-O 3.27Å; L239-Q243 HydrophobicContact CB-CB 3.96Å; L239-Q243 HydrophobicContact CD1-CB 4.21Å; N240-Q243 HydrophobicContact CB-CG 4.11Å; N240-Q243 VanDerWaalsContact O-CB 3.31Å; N240-Q243 WeakPolarHBondContact O-CB 3.25Å; N240-Q243 PolarHBondContact O-N 3.19Å; P241-Q243 PolarHBondContact O-N 2.85Å |
| 244 | V | 75.7 | Confident | 62.3 | Low | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 95.2 | -174.6 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | L232 M235 R236 L239 P241 L242 | L232-V244 HydrophobicContact CB-CG1 4.42Å; L232-V244 HydrophobicContact CD2-CG1 3.43Å; L232-V244 VanDerWaalsContact CD2-CG1 3.43Å; M235-V244 HydrophobicContact CB-CG2 4.02Å; R236-V244 HydrophobicContact CG-CB 4.09Å; R236-V244 HydrophobicContact CG-CG1 3.85Å; R236-V244 HydrophobicContact CG-CG2 4.27Å; L239-V244 HydrophobicContact CB-CG2 4.08Å; L239-V244 HydrophobicContact CD1-CG2 4.1Å; P241-V244 PolarHBondContact O-N 3.47Å; L242-V244 VanDerWaalsContact C-N 3.34Å |
| 245 | A | 60.3 | Low | 59.8 | Low | 9 Ų | 9 | 39 Ų | 39 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V217 N271 | V217-A245 PolarHBondContact O-N 3.02Å; A245-N271 HydrophobicContact CB-CB 3.5Å; A245-N271 VanDerWaalsContact CB-CB 3.5Å |
| 246 | L | 51.8 | Low | 57.4 | Low | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.4 | 172.3 | -84.2 | 155.4 | 0 | 0 | 0 | 111.2 | R221 L232 R236 K248 Y249 A250 N271 | R221-L246 VanDerWaalsContact CZ-CD2 3.47Å; R221-L246 VanDerWaalsContact NE-CD2 3.3Å; L232-L246 HydrophobicContact CD1-CD2 3.5Å; L232-L246 VanDerWaalsContact CD1-CD2 3.5Å; L232-L246 HydrophobicContact CD1-CG 4.38Å; R236-L246 VanDerWaalsContact NH2-CG 3.28Å; L246-K248 WeakPolarHBondContact CD2-O 3.29Å; L246-Y249 VanDerWaalsContact CD1-O 3.23Å; L246-Y249 WeakPolarHBondContact CD1-O 3.3Å; L246-A250 HydrophobicContact CD1-CB 4.34Å; L246-N271 PolarHBondContact O-ND2 3.16Å |
| 247 | S | 40 | Very low | 54.8 | Low | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.3 | 146 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | F218 | F218-S247 VanDerWaalsContact CZ-CB 3.45Å |
| 248 | K | 34.9 | Very low | 52.2 | Low | 80 Ų | 80 | 47.6 Ų | 47.6 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 69.9 | 113.3 | -172.5 | -68.6 | 176.2 | 171.7 | 179.9 | 0 | 114.3 | L246 D266 | L246-K248 WeakPolarHBondContact CD2-O 3.29Å; K248-D266 VanDerWaalsContact CA-OD1 3.26Å; K248-D266 WeakPolarHBondContact CA-OD1 3.23Å; K248-D266 WeakPolarHBondContact CA-OD2 3.33Å; K248-D266 WeakPolarHBondContact CG-OD2 3.46Å; K248-D266 VanDerWaalsContact N-CG 3.3Å; K248-D266 PolarHBondContact N-OD1 2.78Å |
| 249 | Y | 31.5 | Very low | 49.5 | Very low | 123 Ų | 123 | 55.3 Ų | 55.3 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | trans | 97.4 | 39.9 | 170.4 | -57 | -79.9 | 0 | 0 | 0 | 118.7 | L246 K701 | L246-Y249 VanDerWaalsContact CD1-O 3.23Å; L246-Y249 WeakPolarHBondContact CD1-O 3.3Å; Y249-K701 PolarHBondContact OH-NZ 3.31Å | ||
| 250 | A | 29.5 | Very low | 46.9 | Very low | 62 Ų | 62 | 60.4 Ų | 60.4 | 51% | 0.512 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -91.3 | 113.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L246 | L246-A250 HydrophobicContact CD1-CB 4.34Š|
| 251 | S | 31.5 | Very low | 44.4 | Very low | 65 Ų | 65 | 63.3 Ų | 63.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | trans | 68.9 | 89.2 | 168.4 | 57 | 0 | 0 | 0 | 0 | 119.7 | F253 I254 | S251-F253 PolarHBondContact O-N 3.23Å; S251-F253 VanDerWaalsContact O-N 3.09Å; S251-I254 PolarHBondContact O-N 3.18Å; S251-I254 WeakPolarHBondContact OG-CD1 3.34Å | ||
| 252 | H | 33.1 | Very low | 42 | Very low | 87 Ų | 87 | 69.2 Ų | 69.2 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -14.2 | 167 | -144.7 | -113.2 | 0 | 0 | 0 | 113.6 | Y706 | H252-Y706 AromaticContact CE1-CD2 3.9Å; H252-Y706 AromaticContact CE1-CG 4Å |
| 253 | F | 33.3 | Very low | 39.8 | Very low | 134 Ų | 134 | 75.1 Ų | 75.1 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.3 | -175.5 | -146.1 | -100 | 0 | 0 | 0 | 114.3 | S251 F707 | S251-F253 PolarHBondContact O-N 3.23Å; S251-F253 VanDerWaalsContact O-N 3.09Å; F253-F707 HydrophobicContact CD2-CZ 4.5Å; F253-F707 HydrophobicContact CE2-CE2 4.35Å; F253-F707 HydrophobicContact CE2-CZ 4.14Å |
| 254 | I | 34.4 | Very low | 37.4 | Very low | 26 Ų | 26 | 81.7 Ų | 81.7 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -20.4 | -172.7 | -71.2 | 144.2 | 0 | 0 | 0 | 112.6 | L26 S251 M256 | L26-I254 HydrophobicContact CB-CD1 4.36Å; L26-I254 HydrophobicContact CD1-CD1 4.43Å; L26-I254 HydrophobicContact CD1-CG1 4.37Å; L26-I254 HydrophobicContact CD1-CG2 3.75Å; L26-I254 HydrophobicContact CD2-CD1 3.21Å; L26-I254 HydrophobicContact CD2-CG1 4Å; L26-I254 HydrophobicContact CD2-CG2 4.13Å; L26-I254 HydrophobicContact CG-CB 4.46Å; L26-I254 HydrophobicContact CG-CD1 3.38Å; L26-I254 HydrophobicContact CG-CG1 3.7Å; L26-I254 HydrophobicContact CG-CG2 3.96Å; S251-I254 PolarHBondContact O-N 3.18Å; S251-I254 WeakPolarHBondContact OG-CD1 3.34Å; I254-M256 PolarHBondContact O-N 3.38Å |
| 255 | R | 32.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 85.4 Ų | 85.4 | 42% | 0.415 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14 | 173.3 | -140.5 | 166.2 | 83.7 | 152.2 | 8.6 | 112.9 | I703 | R255-I703 HydrophobicContact CB-CD1 4.36Å; R255-I703 HydrophobicContact CG-CD1 3.98Å |
| 256 | M | 35.6 | Very low | 34.9 | Very low | 71 Ų | 71 | 87.5 Ų | 87.5 | 35% | 0.35 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.2 | -175.7 | -81.3 | -169.6 | 73.4 | 0 | 0 | 115.6 | I254 I703 | I254-M256 PolarHBondContact O-N 3.38Å; M256-I703 HydrophobicContact CB-CG2 4.27Å; M256-I703 HydrophobicContact CG-CG2 3.32Å |
| 257 | Q | 32.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 89.5 Ų | 89.5 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -115.7 | -7 | -172.5 | -86 | -176.9 | -8.7 | 0 | 0 | 115.5 | ||
| 258 | F | 32.8 | Very low | 35.6 | Very low | 34 Ų | 34 | 89.1 Ų | 89.1 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | trans | -141.8 | 77.5 | -172.8 | -62.8 | -76.9 | 0 | 0 | 0 | 113 | C18 I19 V260 F261 | C18-F258 HydrophobicContact CB-CE1 4.24Å; C18-F258 HydrophobicContact CB-CZ 4.23Å; C18-F258 WeakPolarHBondContact O-CZ 3.31Å; I19-F258 HydrophobicContact CG1-CE1 3.74Å; I19-F258 HydrophobicContact CG1-CZ 4.32Å; F258-V260 PolarHBondContact O-N 2.9Å; F258-F261 HydrophobicContact CB-CD2 4.17Å | ||
| 259 | E | 31.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 87 Ų | 87 | 84% | 0.836 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 12.9 | 173.5 | -67.8 | -174.2 | 156.8 | 0 | 0 | 114.5 | ||
| 260 | V | 33.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 82.8 Ų | 82.8 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 2.5 | -171.9 | -153.1 | 0 | 0 | 0 | 0 | 113.3 | F258 | F258-V260 PolarHBondContact O-N 2.9Š|
| 261 | F | 35.8 | Very low | 38.8 | Very low | 62 Ų | 62 | 81.1 Ų | 81.1 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | trans | -127.3 | 28.2 | -171.7 | -71.8 | -87.8 | 0 | 0 | 0 | 115.5 | F258 L263 Y265 | F258-F261 HydrophobicContact CB-CD2 4.17Å; F261-L263 PolarHBondContact O-N 3.29Å; F261-Y265 HydrophobicContact CB-CE2 3.84Å; F261-Y265 WeakPolarHBondContact O-CD2 3.45Å | ||
| 262 | D | 30.5 | Very low | 40.5 | Very low | 137 Ų | 137 | 78.1 Ų | 78.1 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 13.2 | -173.6 | -101.4 | -21.1 | 0 | 0 | 0 | 117.6 | ||
| 263 | L | 31.8 | Very low | 41.7 | Very low | 138 Ų | 138 | 75.6 Ų | 75.6 | 72% | 0.723 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -5.9 | -167.3 | -84.1 | 154.4 | 0 | 0 | 0 | 116.4 | F261 | F261-L263 PolarHBondContact O-N 3.29Š|
| 264 | W | 32.7 | Very low | 43.4 | Very low | 138 Ų | 138 | 70 Ų | 70 | 52% | 0.523 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -139.2 | -8.5 | -167.2 | -74.5 | 77.2 | 0 | 0 | 0 | 117.8 | K189 D266 H267 | K189-W264 HydrophobicContact CD-CH2 3.58Å; K189-W264 HydrophobicContact CD-CZ2 4.18Å; K189-W264 HydrophobicContact CD-CZ3 3.86Å; K189-W264 HydrophobicContact CG-CH2 4.44Å; K189-W264 HydrophobicContact CG-CZ3 4.39Å; K189-W264 VanDerWaalsContact NZ-CH2 3.31Å; W264-D266 VanDerWaalsContact C-N 3.34Å; W264-D266 PolarHBondContact O-N 3.07Å; W264-H267 PolarHBondContact O-N 2.97Å |
| 265 | Y | 36.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 69 Ų | 69 | 35% | 0.349 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.3 | -167.4 | -79.9 | -81.2 | 0 | 0 | 0 | 116.4 | Y192 F261 | Y192-Y265 WeakPolarHBondContact OH-CE1 3.34Å; Y192-Y265 PolarHBondContact OH-OH 2.8Å; F261-Y265 HydrophobicContact CB-CE2 3.84Å; F261-Y265 WeakPolarHBondContact O-CD2 3.45Å |
| 266 | D | 47.5 | Very low | 47 | Very low | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 7.6 | 179 | -87.2 | -32 | 0 | 0 | 0 | 113.9 | K248 W264 W297 | K248-D266 VanDerWaalsContact CA-OD1 3.26Å; K248-D266 WeakPolarHBondContact CA-OD1 3.23Å; K248-D266 WeakPolarHBondContact CA-OD2 3.33Å; K248-D266 WeakPolarHBondContact CG-OD2 3.46Å; K248-D266 VanDerWaalsContact N-CG 3.3Å; K248-D266 PolarHBondContact N-OD1 2.78Å; W264-D266 VanDerWaalsContact C-N 3.34Å; W264-D266 PolarHBondContact O-N 3.07Å; D266-W297 WeakPolarHBondContact O-CH2 3.49Å |
| 267 | H | 51.4 | Low | 48.7 | Very low | 55 Ų | 55 | 63.6 Ų | 63.6 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | trans | -73.1 | 130.7 | -179.1 | -158.4 | -84.7 | 0 | 0 | 0 | 110.9 | W264 S269 V270 W297 | W264-H267 PolarHBondContact O-N 2.97Å; H267-S269 PolarHBondContact CE1-OG 2.94Å; H267-S269 VanDerWaalsContact ND1-CB 3.25Å; H267-S269 WeakPolarHBondContact ND1-CB 3.44Å; H267-S269 PolarHBondContact ND1-N 2.94Å; H267-S269 PolarHBondContact ND1-OG 3.07Å; H267-S269 PolarHBondContact O-N 3.11Å; H267-V270 PolarHBondContact O-N 2.84Å; H267-W297 HydrophobicContact CB-CZ2 4.47Å; H267-W297 AromaticContact CD2-CE2 3.96Å; H267-W297 AromaticContact CD2-CZ2 3.9Å; H267-W297 AromaticContact CD2-NE1 3.45Å; H267-W297 PolarHBondContact CD2-NE1 3.33Å; H267-W297 AromaticContact CE1-NE1 3.77Å; H267-W297 AromaticContact NE2-NE1 3.15Å; H267-W297 PolarHBondContact NE2-NE1 3.38Å; H267-W297 VanDerWaalsContact NE2-NE1 3.15Å | ||
| 268 | P | 55 | Low | 50.9 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.9 | -28.9 | 179.7 | -4.5 | 0.5 | 0 | 0 | 0 | 112 | F218 V270 N271 L272 W297 V298 A301 | F218-P268 HydrophobicContact CD2-CB 4.29Å; F218-P268 HydrophobicContact CE2-CB 3.88Å; F218-P268 HydrophobicContact CE2-CG 4.01Å; F218-P268 HydrophobicContact CZ-CG 4.25Å; P268-V270 PolarHBondContact O-N 3.38Å; P268-V270 VanDerWaalsContact O-N 3.15Å; P268-N271 PolarHBondContact O-N 3.24Å; P268-N271 VanDerWaalsContact O-N 3.14Å; P268-L272 HydrophobicContact CB-CD1 3.71Å; P268-L272 HydrophobicContact CB-CG 4.45Å; P268-L272 VanDerWaalsContact O-CB 3.23Å; P268-L272 WeakPolarHBondContact O-CB 3.5Å; P268-L272 WeakPolarHBondContact O-CG 3.47Å; P268-L272 PolarHBondContact O-N 2.93Å; P268-W297 VanDerWaalsContact CD-CD2 3.5Å; P268-W297 HydrophobicContact CG-CD2 3.42Å; P268-W297 VanDerWaalsContact CG-CD2 3.42Å; P268-W297 HydrophobicContact CG-CE3 3.6Å; P268-W297 HydrophobicContact CG-CG 3.94Å; P268-W297 HydrophobicContact CG-CH2 4.21Å; P268-W297 HydrophobicContact CG-CZ2 4.03Å; P268-W297 HydrophobicContact CG-CZ3 3.99Å; P268-V298 HydrophobicContact CB-CG2 4.12Å; P268-V298 HydrophobicContact CG-CG2 4.14Å; P268-A301 HydrophobicContact CB-CB 3.71Å; P268-A301 HydrophobicContact CG-CB 4.11Å |
| 269 | S | 54.5 | Low | 53 | Low | 36 Ų | 36 | 59.9 Ų | 59.9 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.6 | -22.7 | 174.5 | -53 | 0 | 0 | 0 | 0 | 114.7 | H267 Q273 A301 | H267-S269 PolarHBondContact CE1-OG 2.94Å; H267-S269 VanDerWaalsContact ND1-CB 3.25Å; H267-S269 WeakPolarHBondContact ND1-CB 3.44Å; H267-S269 PolarHBondContact ND1-N 2.94Å; H267-S269 PolarHBondContact ND1-OG 3.07Å; H267-S269 PolarHBondContact O-N 3.11Å; S269-Q273 WeakPolarHBondContact O-CG 3.5Å; S269-Q273 PolarHBondContact O-NE2 3.46Å; S269-A301 WeakPolarHBondContact OG-CB 3.29Å |
| 270 | V | 50.9 | Low | 55.1 | Low | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.5 | -47.7 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | H267 P268 Q273 | H267-V270 PolarHBondContact O-N 2.84Å; P268-V270 PolarHBondContact O-N 3.38Å; P268-V270 VanDerWaalsContact O-N 3.15Å; V270-Q273 WeakPolarHBondContact O-CB 3.39Å; V270-Q273 PolarHBondContact O-N 3.49Å |
| 271 | N | 57.3 | Low | 57.3 | Low | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.3 | -32.9 | -178.4 | -65.6 | -32.3 | 0 | 0 | 0 | 113.2 | A245 L246 P268 Q273 | A245-N271 HydrophobicContact CB-CB 3.5Å; A245-N271 VanDerWaalsContact CB-CB 3.5Å; L246-N271 PolarHBondContact O-ND2 3.16Å; P268-N271 PolarHBondContact O-N 3.24Å; P268-N271 VanDerWaalsContact O-N 3.14Å; N271-Q273 VanDerWaalsContact C-N 3.27Å; N271-Q273 PolarHBondContact O-N 3.47Å |
| 272 | L | 66.7 | Low | 59.6 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -81.4 | -4.7 | 179.1 | -64.7 | 167.3 | 0 | 0 | 0 | 112.7 | I216 P268 M274 L275 V286 V298 A301 V302 | I216-L272 HydrophobicContact CG2-CD2 4.1Å; P268-L272 HydrophobicContact CB-CD1 3.71Å; P268-L272 HydrophobicContact CB-CG 4.45Å; P268-L272 VanDerWaalsContact O-CB 3.23Å; P268-L272 WeakPolarHBondContact O-CB 3.5Å; P268-L272 WeakPolarHBondContact O-CG 3.47Å; P268-L272 PolarHBondContact O-N 2.93Å; L272-M274 PolarHBondContact O-N 3.43Å; L272-L275 HydrophobicContact CB-CD1 4.1Å; L272-L275 HydrophobicContact CD2-CD1 4.23Å; L272-L275 WeakPolarHBondContact O-CB 3.27Å; L272-L275 VanDerWaalsContact O-CG 3.26Å; L272-L275 WeakPolarHBondContact O-CG 2.99Å; L272-L275 PolarHBondContact O-N 3.15Å; L272-V286 HydrophobicContact CD2-CG1 4.3Å; L272-V298 HydrophobicContact CD1-CG1 3.91Å; L272-A301 HydrophobicContact CD1-CB 3.7Å; L272-V302 HydrophobicContact CD1-CG2 3.88Å |
| 273 | Q | 59.2 | Low | 62.4 | Low | 35 Ų | 35 | 49.1 Ų | 49.1 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -59.1 | -25.3 | 171.1 | -92.1 | 163.1 | 51.8 | 0 | 0 | 112.3 | S269 V270 N271 L275 H276 | S269-Q273 WeakPolarHBondContact O-CG 3.5Å; S269-Q273 PolarHBondContact O-NE2 3.46Å; V270-Q273 WeakPolarHBondContact O-CB 3.39Å; V270-Q273 PolarHBondContact O-N 3.49Å; N271-Q273 VanDerWaalsContact C-N 3.27Å; N271-Q273 PolarHBondContact O-N 3.47Å; Q273-L275 PolarHBondContact O-N 2.89Å; Q273-L275 VanDerWaalsContact O-N 3.09Å; Q273-H276 WeakPolarHBondContact O-CB 3.05Å; Q273-H276 PolarHBondContact O-N 2.87Å; Q273-H276 PolarHBondContact O-ND1 2.93Å |
| 274 | M | 68.4 | Low | 65.1 | Low | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -54.8 | -24.8 | 170.9 | -175.6 | -177.5 | 66.3 | 0 | 0 | 112.9 | M163 I203 I216 L242 L272 H276 A277 F278 | M163-M274 HydrophobicContact CE-SD 4.03Å; M163-M274 HydrophobicContact SD-SD 4.47Å; I203-M274 HydrophobicContact CD1-CG 3.79Å; I203-M274 HydrophobicContact CD1-SD 4.19Å; I216-M274 HydrophobicContact CD1-CE 3.57Å; I216-M274 HydrophobicContact CG1-CE 3.84Å; L242-M274 HydrophobicContact CB-SD 3.65Å; L242-M274 HydrophobicContact CD1-SD 4.36Å; L242-M274 HydrophobicContact CG-SD 4.45Å; L242-M274 VanDerWaalsContact O-CE 3.3Å; L242-M274 WeakPolarHBondContact O-CE 3Å; L272-M274 PolarHBondContact O-N 3.43Å; M274-H276 PolarHBondContact O-N 2.86Å; M274-H276 VanDerWaalsContact O-N 3.13Å; M274-A277 WeakPolarHBondContact O-CA 3.36Å; M274-A277 VanDerWaalsContact O-CB 3.23Å; M274-A277 WeakPolarHBondContact O-CB 3.34Å; M274-A277 PolarHBondContact O-N 2.9Å; M274-F278 HydrophobicContact CE-CE2 4.47Å; M274-F278 HydrophobicContact CE-CZ 4.47Å |
| 275 | L | 72.4 | Confident | 67.9 | Low | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -56.5 | -28.9 | 174.4 | -69.3 | 172.8 | 0 | 0 | 0 | 112.9 | I216 L272 Q273 A277 F278 C284 V302 V305 A313 | I216-L275 HydrophobicContact CD1-CD2 3.43Å; I216-L275 VanDerWaalsContact CD1-CD2 3.43Å; I216-L275 HydrophobicContact CD1-CG 4Å; L272-L275 HydrophobicContact CB-CD1 4.1Å; L272-L275 HydrophobicContact CD2-CD1 4.23Å; L272-L275 WeakPolarHBondContact O-CB 3.27Å; L272-L275 VanDerWaalsContact O-CG 3.26Å; L272-L275 WeakPolarHBondContact O-CG 2.99Å; L272-L275 PolarHBondContact O-N 3.15Å; Q273-L275 PolarHBondContact O-N 2.89Å; Q273-L275 VanDerWaalsContact O-N 3.09Å; L275-A277 VanDerWaalsContact C-N 3.25Å; L275-A277 PolarHBondContact O-N 3.36Å; L275-F278 HydrophobicContact CD2-CD2 4.44Å; L275-F278 HydrophobicContact CD2-CE2 4.3Å; L275-C284 WeakPolarHBondContact CD2-SG 3.39Å; L275-V302 HydrophobicContact CD1-CG1 4.39Å; L275-V302 HydrophobicContact CD1-CG2 4.17Å; L275-V305 HydrophobicContact CB-CG1 3.59Å; L275-V305 HydrophobicContact CD1-CG1 4.35Å; L275-V305 HydrophobicContact CD1-CG2 4.34Å; L275-A313 HydrophobicContact CB-CB 4.19Å; L275-A313 HydrophobicContact CD1-CB 4.46Å |
| 276 | H | 70.5 | Confident | 70.5 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -70.3 | -20.7 | 174.2 | -62.7 | 86.5 | 0 | 0 | 0 | 113.6 | Q273 M274 V305 K306 | Q273-H276 WeakPolarHBondContact O-CB 3.05Å; Q273-H276 PolarHBondContact O-N 2.87Å; Q273-H276 PolarHBondContact O-ND1 2.93Å; M274-H276 PolarHBondContact O-N 2.86Å; M274-H276 VanDerWaalsContact O-N 3.13Å; H276-V305 WeakPolarHBondContact CE1-CG1 3.37Å; H276-V305 VanDerWaalsContact ND1-CG1 3.35Å; H276-V305 WeakPolarHBondContact ND1-CG1 3.28Å; H276-K306 PolarHBondContact CD2-O 3.5Å; H276-K306 PolarHBondContact NE2-N 3.22Å; H276-K306 VanDerWaalsContact NE2-N 3.14Å; H276-K306 PolarHBondContact NE2-O 3.31Å |
| 277 | A | 70.9 | Confident | 72.5 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -80.7 | -17.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F201 I203 M274 L275 | F201-A277 HydrophobicContact CB-CB 3.81Å; F201-A277 WeakPolarHBondContact O-CA 3.07Å; F201-A277 WeakPolarHBondContact O-CB 3.45Å; I203-A277 HydrophobicContact CD1-CB 3.67Å; I203-A277 HydrophobicContact CG1-CB 3.97Å; I203-A277 PolarHBondContact N-O 2.81Å; M274-A277 WeakPolarHBondContact O-CA 3.36Å; M274-A277 VanDerWaalsContact O-CB 3.23Å; M274-A277 WeakPolarHBondContact O-CB 3.34Å; M274-A277 PolarHBondContact O-N 2.9Å; L275-A277 VanDerWaalsContact C-N 3.25Å; L275-A277 PolarHBondContact O-N 3.36Å |
| 278 | F | 79.1 | Confident | 74.2 | Confident | 11 Ų | 11 | 28 Ų | 28 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 144.7 | 172.8 | -68.1 | -69.7 | 0 | 0 | 0 | 111.3 | M163 I203 W212 P214 I216 M274 L275 I282 | M163-F278 HydrophobicContact SD-CE1 4.36Å; I203-F278 HydrophobicContact CB-CD1 3.91Å; I203-F278 HydrophobicContact CB-CE1 4.2Å; I203-F278 HydrophobicContact CD1-CD1 3.96Å; I203-F278 HydrophobicContact CD1-CD2 4.46Å; I203-F278 HydrophobicContact CD1-CE1 3.77Å; I203-F278 HydrophobicContact CD1-CE2 4.29Å; I203-F278 HydrophobicContact CD1-CG 4.3Å; I203-F278 HydrophobicContact CD1-CZ 3.95Å; I203-F278 HydrophobicContact CG2-CD1 3.76Å; I203-F278 HydrophobicContact CG2-CE1 3.72Å; W212-F278 AromaticContact CH2-CD1 3.97Å; W212-F278 HydrophobicContact CH2-CD1 3.97Å; W212-F278 AromaticContact CH2-CE1 3.86Å; W212-F278 HydrophobicContact CH2-CE1 3.86Å; W212-F278 HydrophobicContact CZ2-CE1 4.34Å; W212-F278 HydrophobicContact CZ3-CD1 4.48Å; P214-F278 HydrophobicContact CB-CE1 3.94Å; P214-F278 HydrophobicContact CB-CZ 3.91Å; P214-F278 HydrophobicContact CG-CD1 4.12Å; P214-F278 HydrophobicContact CG-CE1 3.41Å; P214-F278 VanDerWaalsContact CG-CE1 3.41Å; P214-F278 HydrophobicContact CG-CE2 4.39Å; P214-F278 HydrophobicContact CG-CZ 3.57Å; I216-F278 HydrophobicContact CD1-CE2 4.27Å; M274-F278 HydrophobicContact CE-CE2 4.47Å; M274-F278 HydrophobicContact CE-CZ 4.47Å; L275-F278 HydrophobicContact CD2-CD2 4.44Å; L275-F278 HydrophobicContact CD2-CE2 4.3Å; F278-I282 HydrophobicContact CB-CB 4.28Å; F278-I282 HydrophobicContact CB-CG2 4.49Å; F278-I282 HydrophobicContact CD1-CG2 4.27Å; F278-I282 HydrophobicContact CG-CG2 4.48Å |
| 279 | E | 78 | Confident | 75.5 | Confident | 67 Ų | 67 | 28 Ų | 28 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -52.9 | 147.7 | 166.2 | -73.3 | 170.4 | 176.4 | 0 | 0 | 111.2 | I203 R204 T205 G281 I282 | I203-E279 PolarHBondContact O-N 3.47Å; R204-E279 WeakPolarHBondContact CA-OE1 3.18Å; T205-E279 WeakPolarHBondContact CB-OE2 3.21Å; T205-E279 PolarHBondContact N-OE2 2.89Å; T205-E279 PolarHBondContact OG1-OE2 3.04Å; E279-G281 PolarHBondContact O-N 3.5Å; E279-I282 HydrophobicContact CB-CG1 4.08Å; E279-I282 WeakPolarHBondContact O-CB 3.43Å; E279-I282 VanDerWaalsContact O-CG1 3.29Å; E279-I282 WeakPolarHBondContact O-CG1 3.49Å; E279-I282 PolarHBondContact O-N 2.79Å |
| 280 | E | 75.2 | Confident | 76.6 | Confident | 139 Ų | 139 | 26.3 Ų | 26.3 | 65% | 0.65 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 136.8 | -179 | -176.4 | 173.8 | -169.6 | 0 | 0 | 111.5 | I282 N309 | E280-I282 VanDerWaalsContact C-N 3.33Å; E280-I282 PolarHBondContact O-N 3.09Å; E280-N309 PolarHBondContact OE1-ND2 3.47Å |
| 281 | G | 78.3 | Confident | 77.8 | Confident | 41 Ų | 41 | 25.1 Ų | 25.1 | 42% | 0.423 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -6.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E279 E283 | E279-G281 PolarHBondContact O-N 3.5Å; G281-E283 PolarHBondContact O-N 3.37Å |
| 282 | I | 85.3 | Confident | 78.9 | Confident | 34 Ų | 34 | 24.9 Ų | 24.9 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | trans | -67.5 | 120.9 | 174.9 | -61.7 | -67.8 | 0 | 0 | 0 | 110 | T205 W212 P214 F278 E279 E280 | T205-I282 HydrophobicContact CG2-CD1 4.25Å; T205-I282 WeakPolarHBondContact OG1-CD1 3.37Å; W212-I282 HydrophobicContact CE3-CD1 4.16Å; W212-I282 HydrophobicContact CE3-CG2 4.13Å; W212-I282 HydrophobicContact CZ3-CD1 4.08Å; W212-I282 HydrophobicContact CZ3-CG1 4.38Å; W212-I282 HydrophobicContact CZ3-CG2 3.8Å; P214-I282 HydrophobicContact CG-CG2 4.26Å; F278-I282 HydrophobicContact CB-CB 4.28Å; F278-I282 HydrophobicContact CB-CG2 4.49Å; F278-I282 HydrophobicContact CD1-CG2 4.27Å; F278-I282 HydrophobicContact CG-CG2 4.48Å; E279-I282 HydrophobicContact CB-CG1 4.08Å; E279-I282 WeakPolarHBondContact O-CB 3.43Å; E279-I282 VanDerWaalsContact O-CG1 3.29Å; E279-I282 WeakPolarHBondContact O-CG1 3.49Å; E279-I282 PolarHBondContact O-N 2.79Å; E280-I282 VanDerWaalsContact C-N 3.33Å; E280-I282 PolarHBondContact O-N 3.09Å | ||
| 283 | E | 88.3 | Confident | 79.3 | Confident | 44 Ų | 44 | 26.2 Ų | 26.2 | 21% | 0.206 | 15% | 0.147 | C | C | . | . | trans | -84.2 | 127.1 | 173.1 | -176.3 | 176.3 | 84.8 | 0 | 0 | 109.4 | K213 G281 R314 K316 | K213-E283 WeakPolarHBondContact CA-O 3.33Å; K213-E283 WeakPolarHBondContact CD-OE1 3.22Å; K213-E283 WeakPolarHBondContact CE-OE1 3.46Å; K213-E283 IonicContact NZ-OE1 2.8Å; K213-E283 PolarHBondContact NZ-OE1 2.98Å; G281-E283 PolarHBondContact O-N 3.37Å; E283-R314 WeakPolarHBondContact CA-O 3.05Å; E283-K316 VanDerWaalsContact CD-CE 3.42Å; E283-K316 VanDerWaalsContact CD-NZ 3.29Å; E283-K316 HydrophobicContact CG-CD 4.29Å; E283-K316 HydrophobicContact CG-CG 4.36Å; E283-K316 WeakPolarHBondContact OE1-CE 3.15Å; E283-K316 IonicContact OE1-NZ 3.54Å; E283-K316 PolarHBondContact OE1-NZ 3.02Å; E283-K316 WeakPolarHBondContact OE2-CE 3.21Å; E283-K316 IonicContact OE2-NZ 3.33Å; E283-K316 PolarHBondContact OE2-NZ 2.97Å | ||
| 284 | C | 89.4 | Confident | 80.1 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 159.5 | 176.4 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | P214 L275 R314 C315 K316 | P214-C284 HydrophobicContact CG-CB 3.91Å; P214-C284 CarbonylContact O-C 3.52Å; P214-C284 WeakPolarHBondContact O-CA 3.43Å; P214-C284 WeakPolarHBondContact O-CB 3.45Å; L275-C284 WeakPolarHBondContact CD2-SG 3.39Å; C284-R314 PolarHBondContact N-O 3.41Å; C284-C315 CarbonylContact O-C 3.52Å; C284-C315 WeakPolarHBondContact O-CA 3.48Å; C284-C315 PolarHBondContact SG-SG 3.27Å; C284-K316 PolarHBondContact O-N 3.36Å |
| 285 | Y | 91.3 | Very high | 80.9 | Confident | 26 Ų | 26 | 24.4 Ų | 24.4 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139 | 169.2 | -72.3 | -77.8 | 0 | 0 | 0 | 110.1 | F161 K213 P214 L215 I216 K316 L351 | F161-Y285 HydrophobicContact CD1-CD2 4.13Å; F161-Y285 AromaticContact CE1-CD2 3.79Å; F161-Y285 HydrophobicContact CE1-CD2 3.79Å; F161-Y285 AromaticContact CE1-CE2 3.89Å; F161-Y285 HydrophobicContact CE1-CE2 3.89Å; K213-Y285 HydrophobicContact CB-CD2 3.81Å; K213-Y285 HydrophobicContact CB-CE2 3.66Å; K213-Y285 HydrophobicContact CD-CD2 4.49Å; K213-Y285 HydrophobicContact CD-CE2 3.61Å; K213-Y285 HydrophobicContact CG-CE2 4.29Å; P214-Y285 PolarHBondContact O-N 2.94Å; L215-Y285 CarbonylContact C-O 3.28Å; L215-Y285 WeakPolarHBondContact CA-O 3.36Å; I216-Y285 PolarHBondContact N-O 2.78Å; Y285-K316 CarbonylContact C-O 3.56Å; Y285-K316 VanDerWaalsContact CA-O 3.28Å; Y285-K316 WeakPolarHBondContact CA-O 3.44Å; Y285-K316 HydrophobicContact CD1-CB 3.61Å; Y285-K316 HydrophobicContact CE1-CB 3.72Å; Y285-K316 HydrophobicContact CE1-CD 3.88Å; Y285-K316 HydrophobicContact CE1-CG 4.45Å; Y285-L351 HydrophobicContact CD1-CD2 4.05Å; Y285-L351 HydrophobicContact CE1-CD2 4.5Å; Y285-L351 HydrophobicContact CG-CD2 4.38Å |
| 286 | V | 90.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 105.3 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | I216 L272 V288 V298 C315 K316 M317 A318 | I216-V286 HydrophobicContact CB-CG2 4.46Å; I216-V286 CarbonylContact O-C 3.47Å; I216-V286 WeakPolarHBondContact O-CA 3.38Å; L272-V286 HydrophobicContact CD2-CG1 4.3Å; V286-V288 HydrophobicContact CG1-CG2 4.46Å; V286-V298 HydrophobicContact CG1-CG1 3.88Å; V286-C315 HydrophobicContact CG2-CB 4.17Å; V286-K316 PolarHBondContact N-O 2.71Å; V286-M317 HydrophobicContact CB-CE 4.42Å; V286-M317 HydrophobicContact CB-SD 3.76Å; V286-M317 HydrophobicContact CG1-CE 4.26Å; V286-M317 HydrophobicContact CG1-SD 4.19Å; V286-M317 HydrophobicContact CG2-SD 4.27Å; V286-A318 PolarHBondContact O-N 2.88Å |
| 287 | L | 89.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.8 | 176.2 | 179.6 | 73.5 | 0 | 0 | 0 | 110.1 | L215 I216 V217 F218 M235 A318 L320 I347 | L215-L287 HydrophobicContact CD1-CB 3.85Å; I216-L287 PolarHBondContact O-N 2.93Å; V217-L287 HydrophobicContact CG1-CD2 4.33Å; V217-L287 HydrophobicContact CG2-CB 4.48Å; V217-L287 HydrophobicContact CG2-CD2 4.32Å; F218-L287 PolarHBondContact N-O 3.45Å; M235-L287 HydrophobicContact CE-CD2 4.1Å; L287-A318 CarbonylContact C-O 3.41Å; L287-A318 WeakPolarHBondContact CA-O 3.35Å; L287-A318 HydrophobicContact CD1-CB 3.79Å; L287-L320 HydrophobicContact CD1-CB 4.06Å; L287-I347 HydrophobicContact CD2-CD1 4.33Å; L287-I347 HydrophobicContact CD2-CG2 3.65Å |
| 288 | V | 86.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.9 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | F218 V286 G290 F295 V298 M317 A318 L319 L320 | F218-V288 HydrophobicContact CD1-CG1 3.99Å; F218-V288 CarbonylContact O-C 3.53Å; F218-V288 WeakPolarHBondContact O-CA 3.09Å; V286-V288 HydrophobicContact CG1-CG2 4.46Å; V288-G290 PolarHBondContact O-N 2.89Å; V288-F295 HydrophobicContact CB-CD2 3.99Å; V288-F295 HydrophobicContact CG2-CD2 3.91Å; V288-F295 HydrophobicContact CG2-CE2 4.47Å; V288-V298 HydrophobicContact CG1-CG2 4.23Å; V288-V298 HydrophobicContact CG2-CB 3.83Å; V288-V298 HydrophobicContact CG2-CG1 3.7Å; V288-V298 HydrophobicContact CG2-CG2 4.04Å; V288-M317 HydrophobicContact CG2-CE 4.22Å; V288-A318 PolarHBondContact N-O 2.79Å; V288-L319 HydrophobicContact CB-CD1 4.41Å; V288-L319 WeakPolarHBondContact O-CD1 3.44Å; V288-L320 PolarHBondContact O-N 2.98Å |
| 289 | A | 82.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 102.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F218 A219 N220 V231 L320 L322 | F218-A289 PolarHBondContact O-N 3.27Å; A219-A289 WeakPolarHBondContact CA-O 3.27Å; A219-A289 HydrophobicContact CB-CB 3.8Å; N220-A289 PolarHBondContact N-O 2.98Å; V231-A289 HydrophobicContact CB-CB 4.49Å; V231-A289 HydrophobicContact CG1-CB 4.03Å; A289-L320 WeakPolarHBondContact CA-O 3.39Å; A289-L320 HydrophobicContact CB-CB 4.1Å; A289-L320 HydrophobicContact CB-CD2 3.93Å; A289-L320 HydrophobicContact CB-CG 4.41Å; A289-L322 HydrophobicContact CB-CD1 3.61Å; A289-L322 HydrophobicContact CB-CG 4.13Å |
| 290 | G | 78 | Confident | 82.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | -167.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112 | V288 L320 L322 | V288-G290 PolarHBondContact O-N 2.89Å; G290-L320 PolarHBondContact N-O 3.3Å; G290-L320 VanDerWaalsContact O-O 3.07Å; G290-L322 CarbonylContact C-O 3.49Å; G290-L322 VanDerWaalsContact C-O 3.3Å; G290-L322 PolarHBondContact O-N 3.11Å |
| 291 | G | 76 | Confident | 82.7 | Confident | 10 Ų | 10 | 17 Ų | 17 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | trans | -96.9 | -179.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | G293 S294 F295 L322 G325 | G291-G293 PolarHBondContact O-N 3.16Å; G291-G293 VanDerWaalsContact O-N 3.13Å; G291-S294 WeakPolarHBondContact O-CA 3.29Å; G291-S294 WeakPolarHBondContact O-CB 3.26Å; G291-S294 PolarHBondContact O-N 3.48Å; G291-F295 PolarHBondContact O-N 3.11Å; G291-L322 PolarHBondContact N-O 3.36Å; G291-G325 CarbonylContact C-O 3.55Å; G291-G325 WeakPolarHBondContact CA-O 3.41Å | ||
| 292 | D | 79.7 | Confident | 82.9 | Confident | 21 Ų | 21 | 15.8 Ų | 15.8 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -52.6 | -38.5 | -176.5 | -60.4 | -32 | 0 | 0 | 0 | 113.3 | S294 F295 G296 G325 N326 D327 L328 N385 | D292-S294 VanDerWaalsContact C-N 3.35Å; D292-S294 PolarHBondContact O-N 2.81Å; D292-F295 WeakPolarHBondContact O-CB 3.49Å; D292-F295 PolarHBondContact O-N 2.93Å; D292-G296 PolarHBondContact O-N 3.01Å; D292-G325 VanDerWaalsContact CG-O 3.22Å; D292-G325 PolarHBondContact N-O 3.32Å; D292-G325 VanDerWaalsContact OD2-C 3.24Å; D292-N326 PolarHBondContact OD2-N 2.93Å; D292-D327 PolarHBondContact OD2-N 2.84Å; D292-L328 WeakPolarHBondContact OD1-CB 3.21Å; D292-L328 PolarHBondContact OD1-N 2.86Å; D292-N385 WeakPolarHBondContact CB-ND2 3.37Å; D292-N385 VanDerWaalsContact CG-ND2 3.26Å; D292-N385 PolarHBondContact OD2-ND2 3.14Å |
| 293 | G | 75.4 | Confident | 82.7 | Confident | 30 Ų | 30 | 18.9 Ų | 18.9 | 31% | 0.309 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -69.7 | -26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G291 W297 | G291-G293 PolarHBondContact O-N 3.16Å; G291-G293 VanDerWaalsContact O-N 3.13Å; G293-W297 PolarHBondContact O-N 3.31Å |
| 294 | S | 76.8 | Confident | 82 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74 | -36.6 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | N220 G291 D292 V298 | N220-S294 PolarHBondContact ND2-OG 3.3Å; G291-S294 WeakPolarHBondContact O-CA 3.29Å; G291-S294 WeakPolarHBondContact O-CB 3.26Å; G291-S294 PolarHBondContact O-N 3.48Å; D292-S294 VanDerWaalsContact C-N 3.35Å; D292-S294 PolarHBondContact O-N 2.81Å; S294-V298 WeakPolarHBondContact O-CG2 3.37Å; S294-V298 PolarHBondContact O-N 3.44Å |
| 295 | F | 83.8 | Confident | 81.2 | Confident | 9 Ų | 9 | 19.7 Ų | 19.7 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 175.9 | -170.3 | -102.3 | 0 | 0 | 0 | 111.6 | V288 G291 D292 W297 V298 L299 M317 L319 L328 L359 | V288-F295 HydrophobicContact CB-CD2 3.99Å; V288-F295 HydrophobicContact CG2-CD2 3.91Å; V288-F295 HydrophobicContact CG2-CE2 4.47Å; G291-F295 PolarHBondContact O-N 3.11Å; D292-F295 WeakPolarHBondContact O-CB 3.49Å; D292-F295 PolarHBondContact O-N 2.93Å; F295-W297 PolarHBondContact O-N 3.26Å; F295-V298 PolarHBondContact O-N 3.02Å; F295-V298 VanDerWaalsContact O-N 3.15Å; F295-L299 HydrophobicContact CD1-CD1 3.56Å; F295-L299 HydrophobicContact CD1-CG 3.94Å; F295-L299 HydrophobicContact CE1-CD1 3.43Å; F295-L299 VanDerWaalsContact CE1-CD1 3.43Å; F295-L299 HydrophobicContact CE1-CD2 4.1Å; F295-L299 HydrophobicContact CE1-CG 3.79Å; F295-L299 HydrophobicContact CZ-CD1 4.42Å; F295-L299 HydrophobicContact CZ-CD2 4.33Å; F295-L299 HydrophobicContact CZ-CG 4.38Å; F295-L299 WeakPolarHBondContact O-CG 3.29Å; F295-L299 PolarHBondContact O-N 2.98Å; F295-M317 HydrophobicContact CE2-CB 3.7Å; F295-M317 HydrophobicContact CE2-CE 4.17Å; F295-M317 HydrophobicContact CZ-CB 3.53Å; F295-M317 HydrophobicContact CZ-CE 4.44Å; F295-M317 HydrophobicContact CZ-CG 4.4Å; F295-L319 HydrophobicContact CB-CD1 3.94Å; F295-L319 HydrophobicContact CD2-CB 4.1Å; F295-L319 HydrophobicContact CD2-CD1 3.88Å; F295-L319 HydrophobicContact CD2-CG 4.43Å; F295-L319 HydrophobicContact CE2-CB 4.22Å; F295-L319 HydrophobicContact CG-CD1 4.23Å; F295-L328 HydrophobicContact CD1-CD2 3.4Å; F295-L328 HydrophobicContact CE1-CD2 3.44Å; F295-L328 VanDerWaalsContact CE1-CD2 3.44Å; F295-L328 HydrophobicContact CG-CD2 4.21Å; F295-L328 HydrophobicContact CZ-CD2 4.28Å; F295-L359 HydrophobicContact CE1-CD2 4.4Å |
| 296 | G | 81.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D292 V298 L299 D300 E533 | D292-G296 PolarHBondContact O-N 3.01Å; G296-V298 VanDerWaalsContact C-N 3.32Å; G296-V298 PolarHBondContact O-N 2.81Å; G296-L299 WeakPolarHBondContact O-CB 3.01Å; G296-L299 PolarHBondContact O-N 3.38Å; G296-D300 PolarHBondContact O-N 3.16Å; G296-E533 VanDerWaalsContact C-OE1 3.27Å; G296-E533 WeakPolarHBondContact CA-OE1 3.48Å |
| 297 | W | 77.5 | Confident | 79.2 | Confident | 63 Ų | 63 | 25.7 Ų | 25.7 | 24% | 0.239 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 173 | -172.6 | 38.4 | 0 | 0 | 0 | 113.3 | F218 D266 H267 P268 G293 F295 A301 | F218-W297 HydrophobicContact CE2-CZ3 4.43Å; F218-W297 AromaticContact CZ-CE3 3.82Å; F218-W297 HydrophobicContact CZ-CE3 3.82Å; F218-W297 AromaticContact CZ-CZ3 3.69Å; F218-W297 HydrophobicContact CZ-CZ3 3.69Å; D266-W297 WeakPolarHBondContact O-CH2 3.49Å; H267-W297 HydrophobicContact CB-CZ2 4.47Å; H267-W297 AromaticContact CD2-CE2 3.96Å; H267-W297 AromaticContact CD2-CZ2 3.9Å; H267-W297 AromaticContact CD2-NE1 3.45Å; H267-W297 PolarHBondContact CD2-NE1 3.33Å; H267-W297 AromaticContact CE1-NE1 3.77Å; H267-W297 AromaticContact NE2-NE1 3.15Å; H267-W297 PolarHBondContact NE2-NE1 3.38Å; H267-W297 VanDerWaalsContact NE2-NE1 3.15Å; P268-W297 VanDerWaalsContact CD-CD2 3.5Å; P268-W297 HydrophobicContact CG-CD2 3.42Å; P268-W297 VanDerWaalsContact CG-CD2 3.42Å; P268-W297 HydrophobicContact CG-CE3 3.6Å; P268-W297 HydrophobicContact CG-CG 3.94Å; P268-W297 HydrophobicContact CG-CH2 4.21Å; P268-W297 HydrophobicContact CG-CZ2 4.03Å; P268-W297 HydrophobicContact CG-CZ3 3.99Å; G293-W297 PolarHBondContact O-N 3.31Å; F295-W297 PolarHBondContact O-N 3.26Å; W297-A301 PolarHBondContact O-N 2.87Å |
| 298 | V | 81.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.5 | -39.5 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F218 P268 L272 V286 V288 S294 F295 G296 D300 A301 V302 M317 | F218-V298 HydrophobicContact CB-CG2 4.37Å; F218-V298 HydrophobicContact CD1-CG2 3.63Å; F218-V298 HydrophobicContact CD2-CG2 4.06Å; F218-V298 HydrophobicContact CE1-CG2 3.78Å; F218-V298 HydrophobicContact CE2-CG2 4.19Å; F218-V298 HydrophobicContact CG-CG2 3.75Å; F218-V298 HydrophobicContact CZ-CG2 4.04Å; P268-V298 HydrophobicContact CB-CG2 4.12Å; P268-V298 HydrophobicContact CG-CG2 4.14Å; L272-V298 HydrophobicContact CD1-CG1 3.91Å; V286-V298 HydrophobicContact CG1-CG1 3.88Å; V288-V298 HydrophobicContact CG1-CG2 4.23Å; V288-V298 HydrophobicContact CG2-CB 3.83Å; V288-V298 HydrophobicContact CG2-CG1 3.7Å; V288-V298 HydrophobicContact CG2-CG2 4.04Å; S294-V298 WeakPolarHBondContact O-CG2 3.37Å; S294-V298 PolarHBondContact O-N 3.44Å; F295-V298 PolarHBondContact O-N 3.02Å; F295-V298 VanDerWaalsContact O-N 3.15Å; G296-V298 VanDerWaalsContact C-N 3.32Å; G296-V298 PolarHBondContact O-N 2.81Å; V298-D300 VanDerWaalsContact C-N 3.31Å; V298-D300 PolarHBondContact O-N 2.77Å; V298-A301 WeakPolarHBondContact O-CB 3.47Å; V298-A301 PolarHBondContact O-N 3.44Å; V298-A301 VanDerWaalsContact O-N 3.12Å; V298-V302 HydrophobicContact CG1-CG2 4.3Å; V298-V302 WeakPolarHBondContact O-CG2 3.5Å; V298-V302 PolarHBondContact O-N 3.14Å; V298-M317 HydrophobicContact CB-CE 4.42Å; V298-M317 HydrophobicContact CG1-CE 3.74Å |
| 299 | L | 85.5 | Confident | 77.2 | Confident | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.4 | -47.1 | 173.4 | -78.8 | 175.6 | 0 | 0 | 0 | 111.6 | F295 G296 A301 V302 E303 M317 L359 | F295-L299 HydrophobicContact CD1-CD1 3.56Å; F295-L299 HydrophobicContact CD1-CG 3.94Å; F295-L299 HydrophobicContact CE1-CD1 3.43Å; F295-L299 VanDerWaalsContact CE1-CD1 3.43Å; F295-L299 HydrophobicContact CE1-CD2 4.1Å; F295-L299 HydrophobicContact CE1-CG 3.79Å; F295-L299 HydrophobicContact CZ-CD1 4.42Å; F295-L299 HydrophobicContact CZ-CD2 4.33Å; F295-L299 HydrophobicContact CZ-CG 4.38Å; F295-L299 WeakPolarHBondContact O-CG 3.29Å; F295-L299 PolarHBondContact O-N 2.98Å; G296-L299 WeakPolarHBondContact O-CB 3.01Å; G296-L299 PolarHBondContact O-N 3.38Å; L299-A301 VanDerWaalsContact C-N 3.27Å; L299-A301 PolarHBondContact O-N 3.29Å; L299-V302 PolarHBondContact O-N 3.13Å; L299-E303 WeakPolarHBondContact O-CB 3.18Å; L299-E303 PolarHBondContact O-N 3.24Å; L299-M317 HydrophobicContact CD2-CB 4.48Å; L299-M317 HydrophobicContact CD2-CE 3.65Å; L299-M317 HydrophobicContact CD2-CG 3.69Å; L299-M317 HydrophobicContact CD2-SD 4.17Å; L299-M317 HydrophobicContact CG-CE 4.03Å; L299-L359 HydrophobicContact CD1-CD2 4.43Å |
| 300 | D | 81.8 | Confident | 76.8 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.9 | -90.8 | -11.7 | 0 | 0 | 0 | 112.8 | G296 V298 G304 R361 K382 | G296-D300 PolarHBondContact O-N 3.16Å; V298-D300 VanDerWaalsContact C-N 3.31Å; V298-D300 PolarHBondContact O-N 2.77Å; D300-G304 PolarHBondContact O-N 3.22Å; D300-R361 IonicContact OD1-CZ 3.33Å; D300-R361 IonicContact OD1-NH2 3.9Å; D300-R361 PolarHBondContact OD1-NH2 3.39Å; D300-K382 WeakPolarHBondContact OD1-CD 3.45Å; D300-K382 IonicContact OD1-NZ 2.78Å; D300-K382 PolarHBondContact OD1-NZ 2.99Å |
| 301 | A | 77.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P268 S269 L272 W297 V298 L299 G304 V305 | P268-A301 HydrophobicContact CB-CB 3.71Å; P268-A301 HydrophobicContact CG-CB 4.11Å; S269-A301 WeakPolarHBondContact OG-CB 3.29Å; L272-A301 HydrophobicContact CD1-CB 3.7Å; W297-A301 PolarHBondContact O-N 2.87Å; V298-A301 WeakPolarHBondContact O-CB 3.47Å; V298-A301 PolarHBondContact O-N 3.44Å; V298-A301 VanDerWaalsContact O-N 3.12Å; L299-A301 VanDerWaalsContact C-N 3.27Å; L299-A301 PolarHBondContact O-N 3.29Å; A301-G304 PolarHBondContact O-N 3.47Å; A301-V305 WeakPolarHBondContact O-CG2 3.17Å |
| 302 | V | 81.2 | Confident | 76.6 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L272 L275 V298 L299 G304 V305 C315 M317 | L272-V302 HydrophobicContact CD1-CG2 3.88Å; L275-V302 HydrophobicContact CD1-CG1 4.39Å; L275-V302 HydrophobicContact CD1-CG2 4.17Å; V298-V302 HydrophobicContact CG1-CG2 4.3Å; V298-V302 WeakPolarHBondContact O-CG2 3.5Å; V298-V302 PolarHBondContact O-N 3.14Å; L299-V302 PolarHBondContact O-N 3.13Å; V302-G304 PolarHBondContact O-N 3.35Å; V302-V305 WeakPolarHBondContact O-CB 3.45Å; V302-V305 PolarHBondContact O-N 2.94Å; V302-C315 HydrophobicContact CG1-CB 3.94Å; V302-M317 HydrophobicContact CG2-CE 4.44Å; V302-M317 HydrophobicContact CG2-SD 4.08Å |
| 303 | E | 81 | Confident | 76.5 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -30.6 | 177.9 | -171.2 | -170.7 | 175.5 | 0 | 0 | 112.4 | L299 V305 R361 K382 | L299-E303 WeakPolarHBondContact O-CB 3.18Å; L299-E303 PolarHBondContact O-N 3.24Å; E303-V305 PolarHBondContact O-N 3.17Å; E303-R361 IonicContact OE2-CZ 2.89Å; E303-R361 IonicContact OE2-NH1 3.41Å; E303-R361 PolarHBondContact OE2-NH1 2.9Å; E303-R361 IonicContact OE2-NH2 3.62Å; E303-K382 IonicContact OE1-NZ 2.71Å; E303-K382 IonicContact OE2-NZ 3.16Å; E303-K382 PolarHBondContact OE2-NZ 3.49Å |
| 304 | G | 74.8 | Confident | 76.9 | Confident | 61 Ų | 61 | 49 Ų | 49 | 63% | 0.629 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D300 A301 V302 | D300-G304 PolarHBondContact O-N 3.22Å; A301-G304 PolarHBondContact O-N 3.47Å; V302-G304 PolarHBondContact O-N 3.35Å |
| 305 | V | 72.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -90.1 | 118 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | L275 H276 A301 V302 E303 A313 | L275-V305 HydrophobicContact CB-CG1 3.59Å; L275-V305 HydrophobicContact CD1-CG1 4.35Å; L275-V305 HydrophobicContact CD1-CG2 4.34Å; H276-V305 WeakPolarHBondContact CE1-CG1 3.37Å; H276-V305 VanDerWaalsContact ND1-CG1 3.35Å; H276-V305 WeakPolarHBondContact ND1-CG1 3.28Å; A301-V305 WeakPolarHBondContact O-CG2 3.17Å; V302-V305 WeakPolarHBondContact O-CB 3.45Å; V302-V305 PolarHBondContact O-N 2.94Å; E303-V305 PolarHBondContact O-N 3.17Å; V305-A313 HydrophobicContact CB-CB 4.47Å; V305-A313 HydrophobicContact CG1-CB 3.88Å; V305-A313 PolarHBondContact O-N 3.46Å | ||
| 306 | K | 71.9 | Confident | 77.8 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -132.3 | 129.5 | 179.5 | -64.4 | -175.2 | 179.9 | -174.4 | 0 | 110.2 | H276 A311 | H276-K306 PolarHBondContact CD2-O 3.5Å; H276-K306 PolarHBondContact NE2-N 3.22Å; H276-K306 VanDerWaalsContact NE2-N 3.14Å; H276-K306 PolarHBondContact NE2-O 3.31Å; K306-A311 CarbonylContact C-O 3.59Å; K306-A311 WeakPolarHBondContact CA-O 3.31Å |
| 307 | H | 67.7 | Low | 78.2 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | trans | -59.4 | 167.1 | 173.4 | -67.7 | -82.7 | 0 | 0 | 0 | 111.4 | N309 G310 A311 | H307-N309 WeakPolarHBondContact CB-OD1 3.39Å; H307-N309 PolarHBondContact O-N 2.82Å; H307-G310 WeakPolarHBondContact O-CA 3.06Å; H307-G310 PolarHBondContact O-N 3.17Å; H307-A311 PolarHBondContact CD2-O 2.8Å; H307-A311 PolarHBondContact N-O 3.43Å | ||
| 308 | S | 66.6 | Low | 78.8 | Confident | 130 Ų | 130 | 52 Ų | 52 | 91% | 0.909 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.3 | -178.1 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | G310 | S308-G310 VanDerWaalsContact C-N 3.33Š|
| 309 | N | 68.9 | Low | 79.1 | Confident | 89 Ų | 89 | 52 Ų | 52 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.5 | 175 | 65.6 | 1.3 | 0 | 0 | 0 | 114.1 | E280 H307 A311 | E280-N309 PolarHBondContact OE1-ND2 3.47Å; H307-N309 WeakPolarHBondContact CB-OD1 3.39Å; H307-N309 PolarHBondContact O-N 2.82Å; N309-A311 VanDerWaalsContact C-N 3.35Å; N309-A311 WeakPolarHBondContact OD1-CB 3.27Å; N309-A311 PolarHBondContact OD1-N 3.3Å |
| 310 | G | 72.7 | Confident | 79 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 85.8 | -3.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H307 S308 | H307-G310 WeakPolarHBondContact O-CA 3.06Å; H307-G310 PolarHBondContact O-N 3.17Å; S308-G310 VanDerWaalsContact C-N 3.33Å |
| 311 | A | 74.7 | Confident | 78.8 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 137.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K306 H307 N309 | K306-A311 CarbonylContact C-O 3.59Å; K306-A311 WeakPolarHBondContact CA-O 3.31Å; H307-A311 PolarHBondContact CD2-O 2.8Å; H307-A311 PolarHBondContact N-O 3.43Å; N309-A311 VanDerWaalsContact C-N 3.35Å; N309-A311 WeakPolarHBondContact OD1-CB 3.27Å; N309-A311 PolarHBondContact OD1-N 3.3Å |
| 312 | P | 76.7 | Confident | 78.5 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | B | Isolated β-bridge | trans | -69.2 | 150.7 | 176.2 | 29.8 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 313 | A | 76.8 | Confident | 77.7 | Confident | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 135.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L275 V305 C315 | L275-A313 HydrophobicContact CB-CB 4.19Å; L275-A313 HydrophobicContact CD1-CB 4.46Å; V305-A313 HydrophobicContact CB-CB 4.47Å; V305-A313 HydrophobicContact CG1-CB 3.88Å; V305-A313 PolarHBondContact O-N 3.46Å; A313-C315 PolarHBondContact O-N 2.99Å; A313-C315 VanDerWaalsContact O-N 3.16Å |
| 314 | R | 84.7 | Confident | 76.7 | Confident | 153 Ų | 153 | 48.1 Ų | 48.1 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | trans | -82.2 | 93.7 | 178.3 | -64 | -173.3 | 75.2 | 160.6 | 3.2 | 110.5 | E283 C284 | E283-R314 WeakPolarHBondContact CA-O 3.05Å; C284-R314 PolarHBondContact N-O 3.41Å | ||
| 315 | C | 87.9 | Confident | 76.4 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.9 | -176.8 | -54 | 0 | 0 | 0 | 0 | 111.6 | C284 V286 V302 A313 | C284-C315 CarbonylContact O-C 3.52Å; C284-C315 WeakPolarHBondContact O-CA 3.48Å; C284-C315 PolarHBondContact SG-SG 3.27Å; V286-C315 HydrophobicContact CG2-CB 4.17Å; V302-C315 HydrophobicContact CG1-CB 3.94Å; A313-C315 PolarHBondContact O-N 2.99Å; A313-C315 VanDerWaalsContact O-N 3.16Å |
| 316 | K | 91 | Very high | 76.6 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.4 | 165 | -78 | -179.6 | 170.5 | 160.1 | 0 | 109.4 | E283 C284 Y285 V286 S356 | E283-K316 VanDerWaalsContact CD-CE 3.42Å; E283-K316 VanDerWaalsContact CD-NZ 3.29Å; E283-K316 HydrophobicContact CG-CD 4.29Å; E283-K316 HydrophobicContact CG-CG 4.36Å; E283-K316 WeakPolarHBondContact OE1-CE 3.15Å; E283-K316 IonicContact OE1-NZ 3.54Å; E283-K316 PolarHBondContact OE1-NZ 3.02Å; E283-K316 WeakPolarHBondContact OE2-CE 3.21Å; E283-K316 IonicContact OE2-NZ 3.33Å; E283-K316 PolarHBondContact OE2-NZ 2.97Å; C284-K316 PolarHBondContact O-N 3.36Å; Y285-K316 CarbonylContact C-O 3.56Å; Y285-K316 VanDerWaalsContact CA-O 3.28Å; Y285-K316 WeakPolarHBondContact CA-O 3.44Å; Y285-K316 HydrophobicContact CD1-CB 3.61Å; Y285-K316 HydrophobicContact CE1-CB 3.72Å; Y285-K316 HydrophobicContact CE1-CD 3.88Å; Y285-K316 HydrophobicContact CE1-CG 4.45Å; V286-K316 PolarHBondContact N-O 2.71Å; K316-S356 WeakPolarHBondContact CD-OG 3.47Å; K316-S356 WeakPolarHBondContact CE-OG 3.46Å |
| 317 | M | 90.9 | Very high | 77.3 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.2 | -175.2 | -56.6 | -69.7 | -65.2 | 0 | 0 | 109.7 | V286 V288 F295 V298 L299 V302 | V286-M317 HydrophobicContact CB-CE 4.42Å; V286-M317 HydrophobicContact CB-SD 3.76Å; V286-M317 HydrophobicContact CG1-CE 4.26Å; V286-M317 HydrophobicContact CG1-SD 4.19Å; V286-M317 HydrophobicContact CG2-SD 4.27Å; V288-M317 HydrophobicContact CG2-CE 4.22Å; F295-M317 HydrophobicContact CE2-CB 3.7Å; F295-M317 HydrophobicContact CE2-CE 4.17Å; F295-M317 HydrophobicContact CZ-CB 3.53Å; F295-M317 HydrophobicContact CZ-CE 4.44Å; F295-M317 HydrophobicContact CZ-CG 4.4Å; V298-M317 HydrophobicContact CB-CE 4.42Å; V298-M317 HydrophobicContact CG1-CE 3.74Å; L299-M317 HydrophobicContact CD2-CB 4.48Å; L299-M317 HydrophobicContact CD2-CE 3.65Å; L299-M317 HydrophobicContact CD2-CG 3.69Å; L299-M317 HydrophobicContact CD2-SD 4.17Å; L299-M317 HydrophobicContact CG-CE 4.03Å; V302-M317 HydrophobicContact CG2-CE 4.44Å; V302-M317 HydrophobicContact CG2-SD 4.08Å |
| 318 | A | 89.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V286 L287 V288 W334 L351 | V286-A318 PolarHBondContact O-N 2.88Å; L287-A318 CarbonylContact C-O 3.41Å; L287-A318 WeakPolarHBondContact CA-O 3.35Å; L287-A318 HydrophobicContact CD1-CB 3.79Å; V288-A318 PolarHBondContact N-O 2.79Å; A318-W334 HydrophobicContact CB-CH2 4.16Å; A318-W334 HydrophobicContact CB-CZ2 4.43Å; A318-L351 HydrophobicContact CB-CD2 3.66Å |
| 319 | L | 86.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.1 | -178.9 | -176.3 | 59.6 | 0 | 0 | 0 | 109.3 | V288 F295 L328 C329 | V288-L319 HydrophobicContact CB-CD1 4.41Å; V288-L319 WeakPolarHBondContact O-CD1 3.44Å; F295-L319 HydrophobicContact CB-CD1 3.94Å; F295-L319 HydrophobicContact CD2-CB 4.1Å; F295-L319 HydrophobicContact CD2-CD1 3.88Å; F295-L319 HydrophobicContact CD2-CG 4.43Å; F295-L319 HydrophobicContact CE2-CB 4.22Å; F295-L319 HydrophobicContact CG-CD1 4.23Å; L319-L328 HydrophobicContact CD2-CB 4.3Å; L319-L328 HydrophobicContact CD2-CG 4.47Å; L319-C329 HydrophobicContact CD2-CB 3.6Å; L319-C329 HydrophobicContact CG-CB 4.16Å |
| 320 | L | 83.3 | Confident | 79.8 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114.6 | 168.6 | 179.1 | 70.7 | 0 | 0 | 0 | 108.5 | V231 L287 V288 A289 G290 L322 F341 I347 | V231-L320 HydrophobicContact CG1-CD2 4.01Å; V231-L320 HydrophobicContact CG2-CD2 3.72Å; L287-L320 HydrophobicContact CD1-CB 4.06Å; V288-L320 PolarHBondContact O-N 2.98Å; A289-L320 WeakPolarHBondContact CA-O 3.39Å; A289-L320 HydrophobicContact CB-CB 4.1Å; A289-L320 HydrophobicContact CB-CD2 3.93Å; A289-L320 HydrophobicContact CB-CG 4.41Å; G290-L320 PolarHBondContact N-O 3.3Å; G290-L320 VanDerWaalsContact O-O 3.07Å; L320-L322 PolarHBondContact O-N 2.81Å; L320-F341 HydrophobicContact CD1-CB 3.62Å; L320-F341 HydrophobicContact CD1-CD1 4.15Å; L320-F341 HydrophobicContact CD1-CG 4.14Å; L320-I347 HydrophobicContact CD2-CD1 4Å |
| 321 | P | 79 | Confident | 80.5 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 98.7 | -167.8 | 28.5 | -32.2 | 0 | 0 | 0 | 111.3 | N326 C329 | P321-N326 HydrophobicContact CB-CB 3.84Å; P321-N326 VanDerWaalsContact CB-CG 3.41Å; P321-N326 WeakPolarHBondContact CB-ND2 3.09Å; P321-C329 HydrophobicContact CB-CB 4.16Å; P321-C329 WeakPolarHBondContact CD-SG 3.48Å; P321-C329 WeakPolarHBondContact CG-SG 3.09Å |
| 322 | L | 70.4 | Confident | 81.1 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | trans | -106.5 | 106.5 | 170.1 | -57.4 | -174.2 | 0 | 0 | 0 | 108.5 | S223 D227 V231 A289 G290 G291 L320 | S223-L322 VanDerWaalsContact CB-O 3.28Å; S223-L322 WeakPolarHBondContact CB-O 2.96Å; D227-L322 HydrophobicContact CB-CD2 4.13Å; V231-L322 HydrophobicContact CG2-CD1 4.27Å; A289-L322 HydrophobicContact CB-CD1 3.61Å; A289-L322 HydrophobicContact CB-CG 4.13Å; G290-L322 CarbonylContact C-O 3.49Å; G290-L322 VanDerWaalsContact C-O 3.3Å; G290-L322 PolarHBondContact O-N 3.11Å; G291-L322 PolarHBondContact N-O 3.36Å; L320-L322 PolarHBondContact O-N 2.81Å | ||
| 323 | G | 63.8 | Low | 81.2 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 113.1 | -151.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N326 | G323-N326 PolarHBondContact O-ND2 2.86Š|
| 324 | T | 61.4 | Low | 81.2 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 24% | 0.239 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -113.6 | 3.5 | -162.8 | 50 | 0 | 0 | 0 | 0 | 117.2 | R413 N416 | T324-R413 HydrophobicContact CG2-CB 4.27Å; T324-R413 HydrophobicContact CG2-CG 3.98Å; T324-N416 HydrophobicContact CG2-CB 3.26Å |
| 325 | G | 67.9 | Low | 79.9 | Confident | 29 Ų | 29 | 29.6 Ų | 29.6 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | trans | -127.5 | 93.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G291 D292 | G291-G325 CarbonylContact C-O 3.55Å; G291-G325 WeakPolarHBondContact CA-O 3.41Å; D292-G325 VanDerWaalsContact CG-O 3.22Å; D292-G325 PolarHBondContact N-O 3.32Å; D292-G325 VanDerWaalsContact OD2-C 3.24Å | ||
| 326 | N | 77.5 | Confident | 78.2 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.059 | 18% | 0.18 | C | C | . | . | trans | -132.1 | 31.5 | -173.4 | -53.8 | -37.2 | 0 | 0 | 0 | 109.8 | D292 P321 G323 L328 C329 R330 | D292-N326 PolarHBondContact OD2-N 2.93Å; P321-N326 HydrophobicContact CB-CB 3.84Å; P321-N326 VanDerWaalsContact CB-CG 3.41Å; P321-N326 WeakPolarHBondContact CB-ND2 3.09Å; G323-N326 PolarHBondContact O-ND2 2.86Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 2.82Å; N326-C329 HydrophobicContact CB-CB 3.88Å; N326-C329 VanDerWaalsContact O-CB 3.27Å; N326-C329 WeakPolarHBondContact O-CB 3.28Å; N326-C329 PolarHBondContact O-N 2.78Å; N326-R330 WeakPolarHBondContact O-CG 3.5Å; N326-R330 PolarHBondContact O-N 3.02Å | ||
| 327 | D | 85.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | -174.9 | -72.5 | -53.6 | 0 | 0 | 0 | 110.1 | D292 C329 R330 V331 Y386 I462 C464 G468 | D292-D327 PolarHBondContact OD2-N 2.84Å; D327-C329 VanDerWaalsContact C-N 3.34Å; D327-C329 PolarHBondContact O-N 3.21Å; D327-R330 WeakPolarHBondContact O-CB 3.39Å; D327-R330 PolarHBondContact O-N 3.14Å; D327-V331 WeakPolarHBondContact O-CG2 3.08Å; D327-V331 PolarHBondContact O-N 2.85Å; D327-Y386 HydrophobicContact CB-CE1 4.42Å; D327-I462 HydrophobicContact CB-CD1 3.94Å; D327-C464 HydrophobicContact CB-CB 3.86Å; D327-G468 WeakPolarHBondContact OD1-CA 3.28Å; D327-G468 PolarHBondContact OD1-N 2.56Å |
| 328 | L | 87.8 | Confident | 74.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 173.4 | -178.6 | 62.2 | 0 | 0 | 0 | 111.4 | D292 F295 L319 N326 R330 V331 L332 L359 I462 | D292-L328 WeakPolarHBondContact OD1-CB 3.21Å; D292-L328 PolarHBondContact OD1-N 2.86Å; F295-L328 HydrophobicContact CD1-CD2 3.4Å; F295-L328 HydrophobicContact CE1-CD2 3.44Å; F295-L328 VanDerWaalsContact CE1-CD2 3.44Å; F295-L328 HydrophobicContact CG-CD2 4.21Å; F295-L328 HydrophobicContact CZ-CD2 4.28Å; L319-L328 HydrophobicContact CD2-CB 4.3Å; L319-L328 HydrophobicContact CD2-CG 4.47Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 2.82Å; L328-R330 VanDerWaalsContact C-N 3.26Å; L328-R330 PolarHBondContact O-N 3.38Å; L328-V331 PolarHBondContact O-N 3.41Å; L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.3Å; L328-L332 HydrophobicContact CG-CD1 3.94Å; L328-L332 HydrophobicContact CG-CG 4.44Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 2.73Å; L328-L359 HydrophobicContact CD1-CD1 4.19Å; L328-L359 HydrophobicContact CD1-CD2 4.27Å; L328-L359 HydrophobicContact CD2-CD2 4.22Å; L328-I462 HydrophobicContact CB-CD1 4.29Å; L328-I462 HydrophobicContact CD1-CG2 4Å |
| 329 | C | 85.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 176.3 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | L319 P321 N326 D327 L332 G333 W334 | L319-C329 HydrophobicContact CD2-CB 3.6Å; L319-C329 HydrophobicContact CG-CB 4.16Å; P321-C329 HydrophobicContact CB-CB 4.16Å; P321-C329 WeakPolarHBondContact CD-SG 3.48Å; P321-C329 WeakPolarHBondContact CG-SG 3.09Å; N326-C329 HydrophobicContact CB-CB 3.88Å; N326-C329 VanDerWaalsContact O-CB 3.27Å; N326-C329 WeakPolarHBondContact O-CB 3.28Å; N326-C329 PolarHBondContact O-N 2.78Å; D327-C329 VanDerWaalsContact C-N 3.34Å; D327-C329 PolarHBondContact O-N 3.21Å; C329-L332 PolarHBondContact O-N 3.33Å; C329-G333 PolarHBondContact O-N 2.96Å; C329-W334 PolarHBondContact O-N 3.44Å; C329-W334 WeakPolarHBondContact SG-CB 3.31Å; C329-W334 PolarHBondContact SG-O 3.25Å |
| 330 | R | 83.5 | Confident | 70.3 | Confident | 64 Ų | 64 | 44.2 Ų | 44.2 | 24% | 0.242 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 178 | -67.2 | 171.6 | -176.1 | -85.7 | 20.7 | 112.2 | N326 D327 L328 G333 N335 A467 | N326-R330 WeakPolarHBondContact O-CG 3.5Å; N326-R330 PolarHBondContact O-N 3.02Å; D327-R330 WeakPolarHBondContact O-CB 3.39Å; D327-R330 PolarHBondContact O-N 3.14Å; L328-R330 VanDerWaalsContact C-N 3.26Å; L328-R330 PolarHBondContact O-N 3.38Å; R330-G333 PolarHBondContact O-N 3.22Å; R330-N335 WeakPolarHBondContact CA-OD1 3.25Å; R330-N335 WeakPolarHBondContact CG-OD1 3.28Å; R330-N335 PolarHBondContact O-ND2 2.74Å; R330-A467 PolarHBondContact NH2-O 2.93Å |
| 331 | V | 87.1 | Confident | 69 | Low | 33 Ų | 33 | 45.9 Ų | 45.9 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.9 | 176 | 0 | 0 | 0 | 0 | 110.8 | D327 L328 G333 I462 A463 C464 M483 | D327-V331 WeakPolarHBondContact O-CG2 3.08Å; D327-V331 PolarHBondContact O-N 2.85Å; L328-V331 PolarHBondContact O-N 3.41Å; V331-G333 PolarHBondContact O-N 3.36Å; V331-G333 VanDerWaalsContact O-N 3.15Å; V331-I462 HydrophobicContact CG2-CB 4.14Å; V331-I462 HydrophobicContact CG2-CD1 4.37Å; V331-A463 HydrophobicContact CG1-CB 4.33Å; V331-A463 HydrophobicContact CG2-CB 3.85Å; V331-C464 HydrophobicContact CG2-CB 3.68Å; V331-M483 HydrophobicContact CG1-SD 3.84Å |
| 332 | L | 87.3 | Confident | 68.2 | Low | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.8 | 177.4 | -67.1 | 170.9 | 0 | 0 | 0 | 113.9 | L328 C329 W334 T357 M483 | L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.3Å; L328-L332 HydrophobicContact CG-CD1 3.94Å; L328-L332 HydrophobicContact CG-CG 4.44Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.4Å; L328-L332 PolarHBondContact O-N 2.73Å; C329-L332 PolarHBondContact O-N 3.33Å; L332-W334 VanDerWaalsContact C-N 3.31Å; L332-W334 VanDerWaalsContact O-CD1 3.28Å; L332-W334 PolarHBondContact O-N 3.12Å; L332-T357 HydrophobicContact CD2-CG2 3.69Å; L332-M483 HydrophobicContact CD2-CE 3.79Å; L332-M483 HydrophobicContact CD2-SD 4.44Å |
| 333 | G | 79.1 | Confident | 68.3 | Low | 53 Ų | 53 | 51.4 Ų | 51.4 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C329 R330 V331 N335 | C329-G333 PolarHBondContact O-N 2.96Å; R330-G333 PolarHBondContact O-N 3.22Å; V331-G333 PolarHBondContact O-N 3.36Å; V331-G333 VanDerWaalsContact O-N 3.15Å; G333-N335 PolarHBondContact O-N 2.6Å |
| 334 | W | 75.9 | Confident | 69.1 | Low | 32 Ų | 32 | 51.1 Ų | 51.1 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | trans | -80 | 46 | 176.1 | -68.1 | 65.5 | 0 | 0 | 0 | 110.7 | A318 C329 L332 V336 L350 L351 A354 | A318-W334 HydrophobicContact CB-CH2 4.16Å; A318-W334 HydrophobicContact CB-CZ2 4.43Å; C329-W334 PolarHBondContact O-N 3.44Å; C329-W334 WeakPolarHBondContact SG-CB 3.31Å; C329-W334 PolarHBondContact SG-O 3.25Å; L332-W334 VanDerWaalsContact C-N 3.31Å; L332-W334 VanDerWaalsContact O-CD1 3.28Å; L332-W334 PolarHBondContact O-N 3.12Å; W334-V336 PolarHBondContact O-N 3.28Å; W334-L350 HydrophobicContact CD2-CD2 3.83Å; W334-L350 HydrophobicContact CD2-CG 4.33Å; W334-L350 HydrophobicContact CE3-CD2 3.1Å; W334-L350 HydrophobicContact CE3-CG 3.82Å; W334-L350 HydrophobicContact CH2-CB 4.27Å; W334-L350 HydrophobicContact CH2-CD2 3.8Å; W334-L350 HydrophobicContact CH2-CG 3.54Å; W334-L350 HydrophobicContact CZ2-CD2 4.45Å; W334-L350 HydrophobicContact CZ2-CG 4.12Å; W334-L350 HydrophobicContact CZ3-CB 4.15Å; W334-L350 HydrophobicContact CZ3-CD2 3.08Å; W334-L350 HydrophobicContact CZ3-CG 3.39Å; W334-L351 HydrophobicContact CH2-CD2 3.96Å; W334-L351 HydrophobicContact CH2-CG 4.38Å; W334-A354 HydrophobicContact CH2-CB 4.42Å; W334-A354 HydrophobicContact CZ2-CB 3.75Å | ||
| 335 | N | 58.3 | Low | 69.9 | Low | 97 Ų | 97 | 52.7 Ų | 52.7 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | trans | -82.7 | 104.6 | -174.9 | -76.6 | -46.5 | 0 | 0 | 0 | 111 | R330 G333 | R330-N335 WeakPolarHBondContact CA-OD1 3.25Å; R330-N335 WeakPolarHBondContact CG-OD1 3.28Å; R330-N335 PolarHBondContact O-ND2 2.74Å; G333-N335 PolarHBondContact O-N 2.6Å | ||
| 336 | V | 52.2 | Low | 70.4 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | trans | -139.4 | 131 | 179.7 | -150.9 | 0 | 0 | 0 | 0 | 113.9 | W334 F341 | W334-V336 PolarHBondContact O-N 3.28Å; V336-F341 HydrophobicContact CB-CD2 3.65Å; V336-F341 HydrophobicContact CB-CE2 3.62Å; V336-F341 HydrophobicContact CG1-CD2 3.37Å; V336-F341 HydrophobicContact CG1-CE2 3.13Å; V336-F341 HydrophobicContact CG1-CZ 4.27Å; V336-F341 HydrophobicContact CG2-CD2 3.69Å; V336-F341 HydrophobicContact CG2-CE2 3.33Å; V336-F341 HydrophobicContact CG2-CG 4.42Å; V336-F341 HydrophobicContact CG2-CZ 3.76Å | ||
| 337 | S | 50.5 | Low | 70.7 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | trans | -58.7 | 138.7 | 164.2 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | T339 | S337-T339 PolarHBondContact O-N 3.31Š| ||
| 338 | S | 45.8 | Very low | 70.7 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 99.9 | -173.5 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 339 | T | 46.4 | Very low | 70.4 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 68% | 0.681 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -170.9 | -34.2 | 141.1 | 39.6 | 0 | 0 | 0 | 0 | 111.6 | S337 F341 | S337-T339 PolarHBondContact O-N 3.31Å; T339-F341 PolarHBondContact O-N 3.34Å |
| 340 | D | 49.2 | Very low | 70.2 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -80.2 | -24.7 | -161.4 | -59.5 | -11.5 | 0 | 0 | 0 | 114.1 | V342 S346 | D340-V342 VanDerWaalsContact C-N 3.31Å; D340-V342 PolarHBondContact O-N 2.89Å; D340-S346 PolarHBondContact O-OG 3.38Å |
| 341 | F | 55 | Low | 70.4 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -85.5 | 7.4 | -175 | -79.4 | -89.2 | 0 | 0 | 0 | 115.7 | L320 V336 T339 Q343 I347 L350 | L320-F341 HydrophobicContact CD1-CB 3.62Å; L320-F341 HydrophobicContact CD1-CD1 4.15Å; L320-F341 HydrophobicContact CD1-CG 4.14Å; V336-F341 HydrophobicContact CB-CD2 3.65Å; V336-F341 HydrophobicContact CB-CE2 3.62Å; V336-F341 HydrophobicContact CG1-CD2 3.37Å; V336-F341 HydrophobicContact CG1-CE2 3.13Å; V336-F341 HydrophobicContact CG1-CZ 4.27Å; V336-F341 HydrophobicContact CG2-CD2 3.69Å; V336-F341 HydrophobicContact CG2-CE2 3.33Å; V336-F341 HydrophobicContact CG2-CG 4.42Å; V336-F341 HydrophobicContact CG2-CZ 3.76Å; T339-F341 PolarHBondContact O-N 3.34Å; F341-Q343 VanDerWaalsContact C-N 3.26Å; F341-I347 HydrophobicContact CD1-CG1 4.33Å; F341-I347 VanDerWaalsContact O-CD1 3.28Å; F341-I347 WeakPolarHBondContact O-CD1 3.19Å; F341-L350 HydrophobicContact CD1-CD2 4.12Å; F341-L350 HydrophobicContact CE1-CB 4.07Å; F341-L350 HydrophobicContact CE1-CD2 3.27Å; F341-L350 HydrophobicContact CE1-CG 4.25Å; F341-L350 HydrophobicContact CZ-CD2 3.84Å |
| 342 | V | 62.9 | Low | 70.3 | Confident | 36 Ų | 36 | 54 Ų | 54 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -81.6 | -15.5 | 173.9 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | R230 V231 S234 D340 | R230-V342 HydrophobicContact CB-CG1 3.32Å; R230-V342 HydrophobicContact CG-CG1 4.4Å; V231-V342 HydrophobicContact CG2-CG1 4.5Å; S234-V342 VanDerWaalsContact CB-O 3.28Å; S234-V342 WeakPolarHBondContact CB-O 3.42Å; S234-V342 PolarHBondContact OG-O 2.86Å; D340-V342 VanDerWaalsContact C-N 3.31Å; D340-V342 PolarHBondContact O-N 2.89Å |
| 343 | Q | 73 | Confident | 70.1 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -85.5 | 133.9 | 175.7 | -61.7 | -171 | -9.7 | 0 | 0 | 110.7 | F341 D345 S346 I347 | F341-Q343 VanDerWaalsContact C-N 3.26Å; Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.84Å; Q343-S346 PolarHBondContact O-N 2.85Å; Q343-I347 PolarHBondContact O-N 3.41Å |
| 344 | A | 79.4 | Confident | 70.4 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -30.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S234 M235 L238 S346 I347 F348 | S234-A344 PolarHBondContact OG-N 3.49Å; M235-A344 HydrophobicContact CE-CB 3.99Å; M235-A344 HydrophobicContact SD-CB 3.97Å; L238-A344 HydrophobicContact CD1-CB 3.44Å; L238-A344 VanDerWaalsContact CD1-CB 3.44Å; L238-A344 HydrophobicContact CG-CB 4.44Å; A344-S346 PolarHBondContact O-N 3.45Å; A344-I347 WeakPolarHBondContact O-CB 3.02Å; A344-I347 PolarHBondContact O-N 3.35Å; A344-I347 VanDerWaalsContact O-N 3.17Å; A344-F348 HydrophobicContact CB-CE2 4.16Å; A344-F348 WeakPolarHBondContact O-CD2 3.47Å; A344-F348 WeakPolarHBondContact O-CG 3.41Å; A344-F348 PolarHBondContact O-N 3.41Å |
| 345 | D | 78.3 | Confident | 71 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 178 | -65.1 | -26.5 | 0 | 0 | 0 | 111.5 | Q343 I347 F348 D349 | Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.84Å; D345-I347 VanDerWaalsContact C-N 3.25Å; D345-I347 PolarHBondContact O-N 2.89Å; D345-F348 PolarHBondContact O-N 2.78Å; D345-F348 VanDerWaalsContact O-N 3.13Å; D345-D349 PolarHBondContact O-N 3.44Å |
| 346 | S | 79 | Confident | 72.5 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 176.2 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | D340 Q343 A344 L350 | D340-S346 PolarHBondContact O-OG 3.38Å; Q343-S346 PolarHBondContact O-N 2.85Å; A344-S346 PolarHBondContact O-N 3.45Å; S346-L350 WeakPolarHBondContact O-CB 3.47Å; S346-L350 PolarHBondContact O-N 3.01Å |
| 347 | I | 82.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 176.2 | -66.8 | 167.4 | 0 | 0 | 0 | 110.7 | V231 M235 L287 L320 F341 Q343 A344 D345 D349 L350 L351 | V231-I347 HydrophobicContact CG1-CD1 4.48Å; M235-I347 HydrophobicContact CE-CB 3.65Å; M235-I347 HydrophobicContact CE-CD1 3.33Å; M235-I347 HydrophobicContact CE-CG1 4.07Å; M235-I347 HydrophobicContact CE-CG2 3.48Å; M235-I347 VanDerWaalsContact CE-CG2 3.48Å; L287-I347 HydrophobicContact CD2-CD1 4.33Å; L287-I347 HydrophobicContact CD2-CG2 3.65Å; L320-I347 HydrophobicContact CD2-CD1 4Å; F341-I347 HydrophobicContact CD1-CG1 4.33Å; F341-I347 VanDerWaalsContact O-CD1 3.28Å; F341-I347 WeakPolarHBondContact O-CD1 3.19Å; Q343-I347 PolarHBondContact O-N 3.41Å; A344-I347 WeakPolarHBondContact O-CB 3.02Å; A344-I347 PolarHBondContact O-N 3.35Å; A344-I347 VanDerWaalsContact O-N 3.17Å; D345-I347 VanDerWaalsContact C-N 3.25Å; D345-I347 PolarHBondContact O-N 2.89Å; I347-D349 VanDerWaalsContact C-N 3.32Å; I347-D349 PolarHBondContact O-N 3.21Å; I347-L350 PolarHBondContact O-N 3.41Å; I347-L351 HydrophobicContact CG2-CD1 3.92Å; I347-L351 HydrophobicContact CG2-CG 4.38Å; I347-L351 WeakPolarHBondContact O-CB 3.45Å; I347-L351 VanDerWaalsContact O-CG 3.31Å; I347-L351 WeakPolarHBondContact O-CG 3.34Å; I347-L351 PolarHBondContact O-N 3.49Å |
| 348 | F | 85.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 177.5 | -68.5 | -43.9 | 0 | 0 | 0 | 112.5 | F158 F161 L215 M235 L238 L239 A344 D345 S352 | F158-F348 HydrophobicContact CB-CB 4.39Å; F158-F348 HydrophobicContact CB-CD1 4.38Å; F158-F348 HydrophobicContact CB-CD2 3.45Å; F158-F348 VanDerWaalsContact CB-CD2 3.45Å; F158-F348 HydrophobicContact CB-CE2 3.63Å; F158-F348 HydrophobicContact CB-CG 3.85Å; F158-F348 HydrophobicContact CB-CZ 4.21Å; F158-F348 HydrophobicContact CD1-CD2 4.28Å; F158-F348 HydrophobicContact CD1-CE2 4.37Å; F158-F348 HydrophobicContact CG-CD2 4.04Å; F158-F348 AromaticContact CG-CE2 3.93Å; F158-F348 HydrophobicContact CG-CE2 3.93Å; F161-F348 HydrophobicContact CB-CD1 4.1Å; F161-F348 HydrophobicContact CB-CE1 3.8Å; F161-F348 HydrophobicContact CD2-CB 4.12Å; F161-F348 AromaticContact CD2-CD1 3.32Å; F161-F348 HydrophobicContact CD2-CD1 3.32Å; F161-F348 AromaticContact CD2-CE1 3.92Å; F161-F348 HydrophobicContact CD2-CE1 3.92Å; F161-F348 AromaticContact CD2-CG 3.93Å; F161-F348 HydrophobicContact CD2-CG 3.93Å; F161-F348 HydrophobicContact CE2-CB 3.86Å; F161-F348 AromaticContact CE2-CD1 3.79Å; F161-F348 HydrophobicContact CE2-CD1 3.79Å; F161-F348 HydrophobicContact CE2-CG 4.17Å; F161-F348 AromaticContact CG-CD1 3.8Å; F161-F348 HydrophobicContact CG-CD1 3.8Å; F161-F348 HydrophobicContact CG-CE1 4.02Å; L215-F348 HydrophobicContact CD2-CD1 4.18Å; L215-F348 HydrophobicContact CD2-CE1 3.67Å; M235-F348 HydrophobicContact SD-CE1 4.49Å; M235-F348 HydrophobicContact SD-CZ 4.31Å; L238-F348 HydrophobicContact CB-CE2 4.24Å; L238-F348 HydrophobicContact CB-CZ 4.37Å; L238-F348 HydrophobicContact CD1-CD2 4.42Å; L238-F348 HydrophobicContact CD1-CE2 3.57Å; L238-F348 HydrophobicContact CD1-CZ 4.4Å; L239-F348 HydrophobicContact CD2-CE1 4.04Å; L239-F348 HydrophobicContact CD2-CZ 3.8Å; L239-F348 HydrophobicContact CG-CZ 4.35Å; A344-F348 HydrophobicContact CB-CE2 4.16Å; A344-F348 WeakPolarHBondContact O-CD2 3.47Å; A344-F348 WeakPolarHBondContact O-CG 3.41Å; A344-F348 PolarHBondContact O-N 3.41Å; D345-F348 PolarHBondContact O-N 2.78Å; D345-F348 VanDerWaalsContact O-N 3.13Å; F348-S352 VanDerWaalsContact O-CB 3.31Å; F348-S352 WeakPolarHBondContact O-CB 3.47Å; F348-S352 PolarHBondContact O-N 2.89Å; F348-S352 PolarHBondContact O-OG 3.23Å |
| 349 | D | 81.6 | Confident | 78.5 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 174.4 | -78.1 | -28.5 | 0 | 0 | 0 | 112.3 | H156 D345 I347 L351 S352 H353 | H156-D349 IonicContact CD2-OD1 3.63Å; H156-D349 IonicContact CD2-OD2 3.87Å; H156-D349 PolarHBondContact CD2-OD2 3.33Å; H156-D349 VanDerWaalsContact CE1-CG 3.47Å; H156-D349 IonicContact CE1-OD1 2.71Å; H156-D349 PolarHBondContact CE1-OD1 3.47Å; H156-D349 VanDerWaalsContact CE1-OD1 3.29Å; H156-D349 IonicContact CE1-OD2 3.6Å; H156-D349 PolarHBondContact CE1-OD2 3.31Å; H156-D349 IonicContact CG-OD1 3.97Å; H156-D349 IonicContact CG-OD2 3.73Å; H156-D349 IonicContact ND1-OD1 2.69Å; H156-D349 PolarHBondContact ND1-OD1 3.15Å; H156-D349 IonicContact ND1-OD2 2.85Å; H156-D349 PolarHBondContact ND1-OD2 3.1Å; H156-D349 IonicContact NE2-OD2 3.31Å; H156-D349 PolarHBondContact NE2-OD2 3.33Å; D345-D349 PolarHBondContact O-N 3.44Å; I347-D349 VanDerWaalsContact C-N 3.32Å; I347-D349 PolarHBondContact O-N 3.21Å; D349-L351 PolarHBondContact O-N 3.21Å; D349-S352 WeakPolarHBondContact O-CB 3.08Å; D349-S352 PolarHBondContact O-N 3.11Å; D349-S352 VanDerWaalsContact O-N 3.12Å; D349-H353 PolarHBondContact O-N 3.04Å; D349-H353 VanDerWaalsContact O-N 3.17Å; D349-H353 PolarHBondContact O-ND1 2.82Å |
| 350 | L | 81.8 | Confident | 80.7 | Confident | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 178 | -170.7 | 58 | 0 | 0 | 0 | 111.1 | W334 F341 S346 I347 S352 H353 A354 | W334-L350 HydrophobicContact CD2-CD2 3.83Å; W334-L350 HydrophobicContact CD2-CG 4.33Å; W334-L350 HydrophobicContact CE3-CD2 3.1Å; W334-L350 HydrophobicContact CE3-CG 3.82Å; W334-L350 HydrophobicContact CH2-CB 4.27Å; W334-L350 HydrophobicContact CH2-CD2 3.8Å; W334-L350 HydrophobicContact CH2-CG 3.54Å; W334-L350 HydrophobicContact CZ2-CD2 4.45Å; W334-L350 HydrophobicContact CZ2-CG 4.12Å; W334-L350 HydrophobicContact CZ3-CB 4.15Å; W334-L350 HydrophobicContact CZ3-CD2 3.08Å; W334-L350 HydrophobicContact CZ3-CG 3.39Å; F341-L350 HydrophobicContact CD1-CD2 4.12Å; F341-L350 HydrophobicContact CE1-CB 4.07Å; F341-L350 HydrophobicContact CE1-CD2 3.27Å; F341-L350 HydrophobicContact CE1-CG 4.25Å; F341-L350 HydrophobicContact CZ-CD2 3.84Å; S346-L350 WeakPolarHBondContact O-CB 3.47Å; S346-L350 PolarHBondContact O-N 3.01Å; I347-L350 PolarHBondContact O-N 3.41Å; L350-S352 PolarHBondContact O-N 3.32Å; L350-H353 PolarHBondContact O-N 2.88Å; L350-A354 VanDerWaalsContact O-CB 3.24Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.32Å |
| 351 | L | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 174.6 | -73 | 170.2 | 0 | 0 | 0 | 113.2 | F161 L215 Y285 A318 W334 I347 D349 | F161-L351 HydrophobicContact CE1-CB 3.9Å; F161-L351 HydrophobicContact CE1-CD1 4.25Å; F161-L351 HydrophobicContact CZ-CB 3.69Å; L215-L351 HydrophobicContact CD1-CD1 3.73Å; L215-L351 HydrophobicContact CD2-CD1 3.72Å; L215-L351 HydrophobicContact CG-CD1 4.34Å; Y285-L351 HydrophobicContact CD1-CD2 4.05Å; Y285-L351 HydrophobicContact CE1-CD2 4.5Å; Y285-L351 HydrophobicContact CG-CD2 4.38Å; A318-L351 HydrophobicContact CB-CD2 3.66Å; W334-L351 HydrophobicContact CH2-CD2 3.96Å; W334-L351 HydrophobicContact CH2-CG 4.38Å; I347-L351 HydrophobicContact CG2-CD1 3.92Å; I347-L351 HydrophobicContact CG2-CG 4.38Å; I347-L351 WeakPolarHBondContact O-CB 3.45Å; I347-L351 VanDerWaalsContact O-CG 3.31Å; I347-L351 WeakPolarHBondContact O-CG 3.34Å; I347-L351 PolarHBondContact O-N 3.49Å; D349-L351 PolarHBondContact O-N 3.21Å |
| 352 | S | 84.3 | Confident | 84.3 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.4 | -30.7 | -179.2 | -66 | 0 | 0 | 0 | 0 | 113.5 | K160 F348 D349 L350 | K160-S352 WeakPolarHBondContact CE-OG 3.4Å; K160-S352 VanDerWaalsContact NZ-CB 3.3Å; K160-S352 PolarHBondContact NZ-OG 3.05Å; F348-S352 VanDerWaalsContact O-CB 3.31Å; F348-S352 WeakPolarHBondContact O-CB 3.47Å; F348-S352 PolarHBondContact O-N 2.89Å; F348-S352 PolarHBondContact O-OG 3.23Å; D349-S352 WeakPolarHBondContact O-CB 3.08Å; D349-S352 PolarHBondContact O-N 3.11Å; D349-S352 VanDerWaalsContact O-N 3.12Å; L350-S352 PolarHBondContact O-N 3.32Å |
| 353 | H | 84 | Confident | 85.6 | Confident | 153 Ų | 153 | 66 Ų | 66 | 71% | 0.708 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -105.3 | -2.9 | -178.5 | -59.3 | 90.6 | 0 | 0 | 0 | 112.9 | D349 L350 | D349-H353 PolarHBondContact O-N 3.04Å; D349-H353 VanDerWaalsContact O-N 3.17Å; D349-H353 PolarHBondContact O-ND1 2.82Å; L350-H353 PolarHBondContact O-N 2.88Å |
| 354 | A | 86.5 | Confident | 86.2 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | trans | -69.3 | 132.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | W334 L350 | W334-A354 HydrophobicContact CH2-CB 4.42Å; W334-A354 HydrophobicContact CZ2-CB 3.75Å; L350-A354 VanDerWaalsContact O-CB 3.24Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.32Å | ||
| 355 | E | 88.4 | Confident | 86.5 | Confident | 188 Ų | 188 | 64.1 Ų | 64.1 | 88% | 0.879 | 34% | 0.339 | S | S | * | . | trans | -81.2 | 151.5 | 165.9 | -64.9 | -174.4 | 170.7 | 0 | 0 | 110.6 | ||||
| 356 | S | 88.5 | Confident | 86.8 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | trans | -104.3 | 142.7 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | K316 | K316-S356 WeakPolarHBondContact CD-OG 3.47Å; K316-S356 WeakPolarHBondContact CE-OG 3.46Å | ||
| 357 | T | 91.7 | Very high | 86.8 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | trans | -139.3 | 160.8 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | L332 M483 | L332-T357 HydrophobicContact CD2-CG2 3.69Å; T357-M483 HydrophobicContact CG2-CE 3.18Å | ||
| 358 | F | 92 | Very high | 86.3 | Confident | 165 Ų | 165 | 70.9 Ų | 70.9 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | trans | -88.2 | 156.8 | 176.7 | -68.3 | -79 | 0 | 0 | 0 | 110.3 | N484 | F358-N484 HydrophobicContact CB-CB 3.78Š| ||
| 359 | L | 91.3 | Very high | 85.3 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | trans | -134 | 120.9 | 175.7 | 176.8 | 66.8 | 0 | 0 | 0 | 107.9 | F295 L299 L328 N384 I462 M483 | F295-L359 HydrophobicContact CE1-CD2 4.4Å; L299-L359 HydrophobicContact CD1-CD2 4.43Å; L328-L359 HydrophobicContact CD1-CD1 4.19Å; L328-L359 HydrophobicContact CD1-CD2 4.27Å; L328-L359 HydrophobicContact CD2-CD2 4.22Å; L359-N384 HydrophobicContact CD2-CB 4.42Å; L359-I462 HydrophobicContact CD1-CG2 4.07Å; L359-M483 CarbonylContact C-O 3.57Å; L359-M483 WeakPolarHBondContact CA-O 3.48Å; L359-M483 HydrophobicContact CD1-CB 4.11Å; L359-M483 HydrophobicContact CD1-CG 4.3Å; L359-M483 HydrophobicContact CD1-SD 4.18Å | ||
| 360 | D | 92.5 | Very high | 84.1 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | trans | -68.1 | 139.2 | 173.9 | -67.1 | -32.7 | 0 | 0 | 0 | 110.4 | N461 M483 N484 D485 G486 | D360-N461 PolarHBondContact O-ND2 3.31Å; D360-M483 PolarHBondContact N-O 3.49Å; D360-N484 WeakPolarHBondContact OD2-CA 3.45Å; D360-N484 PolarHBondContact OD2-N 2.93Å; D360-D485 PolarHBondContact OD2-N 3.09Å; D360-D485 VanDerWaalsContact OD2-N 3.1Å; D360-G486 WeakPolarHBondContact OD2-CA 3.36Å; D360-G486 PolarHBondContact OD2-N 2.78Å | ||
| 361 | R | 90.1 | Very high | 82.6 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 28% | 0.279 | 45% | 0.45 | S | S | . | . | trans | -125.7 | 117.2 | -178.2 | -62.4 | -170.3 | 66.9 | -139.9 | -2.3 | 109.3 | D300 E303 N384 | D300-R361 IonicContact OD1-CZ 3.33Å; D300-R361 IonicContact OD1-NH2 3.9Å; D300-R361 PolarHBondContact OD1-NH2 3.39Å; E303-R361 IonicContact OE2-CZ 2.89Å; E303-R361 IonicContact OE2-NH1 3.41Å; E303-R361 PolarHBondContact OE2-NH1 2.9Å; E303-R361 IonicContact OE2-NH2 3.62Å; R361-N384 PolarHBondContact NE-OD1 3.17Å | ||
| 362 | W | 90 | Very high | 80.5 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 16% | 0.159 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 139.7 | -167.3 | -63.3 | 93.2 | 0 | 0 | 0 | 111.4 | K382 M383 N461 G486 F488 K516 | W362-K382 CarbonylContact O-C 3.59Å; W362-K382 VanDerWaalsContact O-CA 3.27Å; W362-K382 WeakPolarHBondContact O-CA 3.45Å; W362-M383 HydrophobicContact CB-CB 4.32Å; W362-M383 PolarHBondContact N-O 3.28Å; W362-M383 PolarHBondContact O-N 3.12Å; W362-N461 VanDerWaalsContact NE1-CG 3.3Å; W362-N461 PolarHBondContact NE1-OD1 3.17Å; W362-G486 WeakPolarHBondContact CH2-O 3.23Å; W362-F488 HydrophobicContact CB-CE1 4.27Å; W362-F488 HydrophobicContact CB-CZ 3.87Å; W362-F488 AromaticContact CD1-CE1 3.7Å; W362-F488 AromaticContact CD1-CZ 3.96Å; W362-F488 HydrophobicContact CD2-CD1 4.48Å; W362-F488 AromaticContact CD2-CE1 3.54Å; W362-F488 HydrophobicContact CD2-CE1 3.54Å; W362-F488 AromaticContact CD2-CE2 3.59Å; W362-F488 HydrophobicContact CD2-CE2 3.59Å; W362-F488 AromaticContact CD2-CZ 3.03Å; W362-F488 HydrophobicContact CD2-CZ 3.03Å; W362-F488 AromaticContact CE2-CE1 3.57Å; W362-F488 AromaticContact CE2-CE2 3.89Å; W362-F488 AromaticContact CE2-CZ 3.48Å; W362-F488 VanDerWaalsContact CE2-CZ 3.48Å; W362-F488 HydrophobicContact CE3-CD2 4.32Å; W362-F488 HydrophobicContact CE3-CE1 4.15Å; W362-F488 AromaticContact CE3-CE2 3.29Å; W362-F488 HydrophobicContact CE3-CE2 3.29Å; W362-F488 AromaticContact CE3-CZ 3.2Å; W362-F488 HydrophobicContact CE3-CZ 3.2Å; W362-F488 AromaticContact CG-CE1 3.58Å; W362-F488 HydrophobicContact CG-CE1 3.58Å; W362-F488 HydrophobicContact CG-CE2 4.35Å; W362-F488 AromaticContact CG-CZ 3.36Å; W362-F488 HydrophobicContact CG-CZ 3.36Å; W362-F488 AromaticContact CH2-CD2 3.82Å; W362-F488 HydrophobicContact CH2-CD2 3.82Å; W362-F488 AromaticContact CH2-CE2 3.58Å; W362-F488 HydrophobicContact CH2-CE2 3.58Å; W362-F488 HydrophobicContact CH2-CG 4.48Å; W362-F488 HydrophobicContact CH2-CZ 4.06Å; W362-F488 HydrophobicContact CZ2-CD1 4.31Å; W362-F488 HydrophobicContact CZ2-CD2 4.06Å; W362-F488 HydrophobicContact CZ2-CE1 4.14Å; W362-F488 AromaticContact CZ2-CE2 3.9Å; W362-F488 HydrophobicContact CZ2-CE2 3.9Å; W362-F488 HydrophobicContact CZ2-CG 4.29Å; W362-F488 AromaticContact CZ2-CZ 3.97Å; W362-F488 HydrophobicContact CZ2-CZ 3.97Å; W362-F488 AromaticContact CZ3-CD2 3.98Å; W362-F488 HydrophobicContact CZ3-CD2 3.98Å; W362-F488 AromaticContact CZ3-CE2 3.28Å; W362-F488 HydrophobicContact CZ3-CE2 3.28Å; W362-F488 AromaticContact CZ3-CZ 3.72Å; W362-F488 HydrophobicContact CZ3-CZ 3.72Å; W362-F488 AromaticContact NE1-CE1 3.69Å; W362-K516 VanDerWaalsContact CZ3-O 3.31Å; W362-K516 WeakPolarHBondContact CZ3-O 3.21Å |
| 363 | L | 89.4 | Confident | 78.3 | Confident | 124 Ų | 124 | 94 Ų | 94 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126 | 169.7 | -69 | 170.8 | 0 | 0 | 0 | 109.3 | V380 R381 K382 | L363-V380 HydrophobicContact CB-CG1 4.39Å; L363-V380 HydrophobicContact CD2-CG1 3.83Å; L363-R381 CarbonylContact C-O 3.5Å; L363-R381 WeakPolarHBondContact CA-O 3.41Å; L363-K382 HydrophobicContact CD2-CG 3.75Å |
| 364 | V | 86.7 | Confident | 76.9 | Confident | 27 Ų | 27 | 90.9 Ų | 90.9 | 16% | 0.164 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 107 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | V366 V380 R381 M383 L387 | V364-V366 HydrophobicContact CG1-CG2 4.17Å; V364-V380 CarbonylContact O-C 3.58Å; V364-V380 WeakPolarHBondContact O-CA 3.1Å; V364-R381 HydrophobicContact CB-CB 4.43Å; V364-R381 PolarHBondContact N-O 3.27Å; V364-R381 PolarHBondContact O-N 3.49Å; V364-M383 HydrophobicContact CG2-CB 3.81Å; V364-L387 HydrophobicContact CB-CD1 4.44Å; V364-L387 HydrophobicContact CG1-CD1 3.71Å; V364-L387 HydrophobicContact CG2-CD1 3.93Å |
| 365 | S | 85.8 | Confident | 75.4 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.9 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | E378 | S365-E378 WeakPolarHBondContact CB-OE1 3.12Å; S365-E378 VanDerWaalsContact OG-CD 3.28Å; S365-E378 WeakPolarHBondContact OG-CG 3.17Å; S365-E378 PolarHBondContact OG-OE1 2.96Å |
| 366 | V | 82.9 | Confident | 74 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 33% | 0.333 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.6 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | V364 H379 | V364-V366 HydrophobicContact CG1-CG2 4.17Å; V366-H379 PolarHBondContact N-O 2.7Å; V366-H379 PolarHBondContact O-N 2.92Å |
| 367 | S | 79.1 | Confident | 72.5 | Confident | 90 Ų | 90 | 93.5 Ų | 93.5 | 63% | 0.629 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.2 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | F377 | S367-F377 VanDerWaalsContact CA-O 3.32Å; S367-F377 WeakPolarHBondContact CA-O 3.33Å |
| 368 | Y | 74.1 | Confident | 71.5 | Confident | 106 Ų | 106 | 96 Ų | 96 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149 | 173 | 59.5 | -95.6 | 0 | 0 | 0 | 112 | F377 H379 | Y368-F377 HydrophobicContact CD2-CB 4.46Å; Y368-F377 HydrophobicContact CE1-CB 4.3Å; Y368-F377 HydrophobicContact CE2-CB 3.89Å; Y368-F377 HydrophobicContact CE2-CG 4.48Å; Y368-F377 PolarHBondContact N-O 2.85Å; Y368-F377 PolarHBondContact O-N 3.16Å; Y368-H379 AromaticContact CE1-CD2 3.38Å; Y368-H379 WeakPolarHBondContact CE1-CD2 3.48Å; Y368-H379 AromaticContact CE1-NE2 3.53Å; Y368-H379 AromaticContact CZ-CD2 3.92Å; Y368-H379 AromaticContact CZ-NE2 3.59Å; Y368-H379 PolarHBondContact OH-NE2 3.02Å |
| 369 | P | 63.6 | Low | 70.7 | Confident | 112 Ų | 112 | 91.7 Ų | 91.7 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.6 | 177.4 | 29.2 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 370 | E | 56.7 | Low | 69.9 | Low | 86 Ų | 86 | 93.5 Ų | 93.5 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | trans | -75.6 | 143.5 | 174.1 | -165.1 | 170 | -146 | 0 | 0 | 111.5 | L372 F377 | E370-L372 PolarHBondContact O-N 2.92Å; E370-F377 HydrophobicContact CB-CD2 4.31Å; E370-F377 HydrophobicContact CB-CE2 4.46Å; E370-F377 VanDerWaalsContact CD-CE2 3.44Å; E370-F377 HydrophobicContact CG-CE2 4.31Å; E370-F377 WeakPolarHBondContact OE1-CE2 3.26Å; E370-F377 WeakPolarHBondContact OE2-CE2 3.45Å | ||
| 371 | K | 50.4 | Low | 69.3 | Low | 215 Ų | 215 | 98.6 Ų | 98.6 | 94% | 0.935 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -68.9 | -11.9 | -179.6 | -72.8 | -173.8 | 177.6 | -178.1 | 0 | 113.9 | ||
| 372 | L | 43.5 | Very low | 69 | Low | 155 Ų | 155 | 97.9 Ų | 97.9 | 81% | 0.812 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -137.1 | 84.5 | -178.3 | -86.6 | 122.6 | 0 | 0 | 0 | 111.1 | E370 | E370-L372 PolarHBondContact O-N 2.92Š|
| 373 | G | 37.8 | Very low | 68.9 | Low | 53 Ų | 53 | 96 Ų | 96 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 92.5 | 93.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117 | H375 | G373-H375 PolarHBondContact O-CD2 3.12Å; G373-H375 PolarHBondContact O-N 3.34Å |
| 374 | G | 53.9 | Low | 68.8 | Low | 88 Ų | 88 | 90.2 Ų | 90.2 | 91% | 0.907 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 63.6 | -18.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 375 | H | 55.1 | Low | 68.9 | Low | 142 Ų | 142 | 89.2 Ų | 89.2 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 132.8 | -175.9 | -65.7 | -67.9 | 0 | 0 | 0 | 111.5 | G373 | G373-H375 PolarHBondContact O-CD2 3.12Å; G373-H375 PolarHBondContact O-N 3.34Å |
| 376 | T | 58.9 | Low | 69.1 | Low | 116 Ų | 116 | 87.7 Ų | 87.7 | 71% | 0.712 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.5 | 171.5 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 377 | F | 57.9 | Low | 69.5 | Low | 92 Ų | 92 | 85.7 Ų | 85.7 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.9 | 170.2 | -87 | -90.3 | 0 | 0 | 0 | 109.7 | S367 Y368 E370 | S367-F377 VanDerWaalsContact CA-O 3.32Å; S367-F377 WeakPolarHBondContact CA-O 3.33Å; Y368-F377 HydrophobicContact CD2-CB 4.46Å; Y368-F377 HydrophobicContact CE1-CB 4.3Å; Y368-F377 HydrophobicContact CE2-CB 3.89Å; Y368-F377 HydrophobicContact CE2-CG 4.48Å; Y368-F377 PolarHBondContact N-O 2.85Å; Y368-F377 PolarHBondContact O-N 3.16Å; E370-F377 HydrophobicContact CB-CD2 4.31Å; E370-F377 HydrophobicContact CB-CE2 4.46Å; E370-F377 VanDerWaalsContact CD-CE2 3.44Å; E370-F377 HydrophobicContact CG-CE2 4.31Å; E370-F377 WeakPolarHBondContact OE1-CE2 3.26Å; E370-F377 WeakPolarHBondContact OE2-CE2 3.45Å |
| 378 | E | 69.6 | Low | 69.9 | Low | 129 Ų | 129 | 81.4 Ų | 81.4 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.9 | 174.3 | -169.6 | 178.9 | -175.5 | 0 | 0 | 109.5 | S365 V380 | S365-E378 WeakPolarHBondContact CB-OE1 3.12Å; S365-E378 VanDerWaalsContact OG-CD 3.28Å; S365-E378 WeakPolarHBondContact OG-CG 3.17Å; S365-E378 PolarHBondContact OG-OE1 2.96Å; E378-V380 HydrophobicContact CG-CG2 4.34Å |
| 379 | H | 74.8 | Confident | 70.5 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119 | 172.6 | -70.1 | -98.6 | 0 | 0 | 0 | 109.2 | V366 Y368 | V366-H379 PolarHBondContact N-O 2.7Å; V366-H379 PolarHBondContact O-N 2.92Å; Y368-H379 AromaticContact CE1-CD2 3.38Å; Y368-H379 WeakPolarHBondContact CE1-CD2 3.48Å; Y368-H379 AromaticContact CE1-NE2 3.53Å; Y368-H379 AromaticContact CZ-CD2 3.92Å; Y368-H379 AromaticContact CZ-NE2 3.59Å; Y368-H379 PolarHBondContact OH-NE2 3.02Å |
| 380 | V | 76 | Confident | 71.5 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.6 | 176 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | L363 V364 E378 | L363-V380 HydrophobicContact CB-CG1 4.39Å; L363-V380 HydrophobicContact CD2-CG1 3.83Å; V364-V380 CarbonylContact O-C 3.58Å; V364-V380 WeakPolarHBondContact O-CA 3.1Å; E378-V380 HydrophobicContact CG-CG2 4.34Å |
| 381 | R | 80.2 | Confident | 72.6 | Confident | 146 Ų | 146 | 67.2 Ų | 67.2 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 162.1 | 173.9 | -64.1 | -65.4 | -178.8 | -174.7 | -6 | 109.8 | L363 V364 | L363-R381 CarbonylContact C-O 3.5Å; L363-R381 WeakPolarHBondContact CA-O 3.41Å; V364-R381 HydrophobicContact CB-CB 4.43Å; V364-R381 PolarHBondContact N-O 3.27Å; V364-R381 PolarHBondContact O-N 3.49Å |
| 382 | K | 83.4 | Confident | 74.1 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147.7 | 171.5 | -70 | 170.4 | -173.9 | 176.4 | 0 | 109.9 | D300 E303 W362 L363 | D300-K382 WeakPolarHBondContact OD1-CD 3.45Å; D300-K382 IonicContact OD1-NZ 2.78Å; D300-K382 PolarHBondContact OD1-NZ 2.99Å; E303-K382 IonicContact OE1-NZ 2.71Å; E303-K382 IonicContact OE2-NZ 3.16Å; E303-K382 PolarHBondContact OE2-NZ 3.49Å; W362-K382 CarbonylContact O-C 3.59Å; W362-K382 VanDerWaalsContact O-CA 3.27Å; W362-K382 WeakPolarHBondContact O-CA 3.45Å; L363-K382 HydrophobicContact CD2-CG 3.75Å |
| 383 | M | 86.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.3 | 178.7 | 172.8 | -167.6 | 143.8 | 0 | 0 | 108.9 | W362 V364 L387 N461 F488 | W362-M383 HydrophobicContact CB-CB 4.32Å; W362-M383 PolarHBondContact N-O 3.28Å; W362-M383 PolarHBondContact O-N 3.12Å; V364-M383 HydrophobicContact CG2-CB 3.81Å; M383-L387 HydrophobicContact CE-CB 4.34Å; M383-L387 HydrophobicContact CG-CB 4.43Å; M383-L387 HydrophobicContact SD-CB 3.34Å; M383-L387 WeakPolarHBondContact SD-CB 3.16Å; M383-N461 HydrophobicContact CE-CB 4.05Å; M383-F488 HydrophobicContact CE-CD1 4.31Å; M383-F488 HydrophobicContact CE-CE1 3.76Å; M383-F488 HydrophobicContact SD-CE1 4.32Å |
| 384 | N | 88.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -111.6 | -31.7 | -180 | -53.1 | -57.4 | 0 | 0 | 0 | 112.4 | L359 R361 N461 S532 E533 | L359-N384 HydrophobicContact CD2-CB 4.42Å; R361-N384 PolarHBondContact NE-OD1 3.17Å; N384-N461 PolarHBondContact O-ND2 3.17Å; N384-S532 PolarHBondContact N-OG 2.88Å; N384-E533 PolarHBondContact ND2-OE1 3.07Å |
| 385 | N | 89.7 | Confident | 78.2 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -112.4 | -69.7 | -170.5 | -70.3 | 12.1 | 0 | 0 | 0 | 112.5 | D292 N461 I462 | D292-N385 WeakPolarHBondContact CB-ND2 3.37Å; D292-N385 VanDerWaalsContact CG-ND2 3.26Å; D292-N385 PolarHBondContact OD2-ND2 3.14Å; N385-N461 WeakPolarHBondContact O-CA 3.48Å; N385-N461 VanDerWaalsContact O-CB 3.3Å; N385-N461 WeakPolarHBondContact O-CB 3.47Å; N385-N461 PolarHBondContact O-N 3.1Å; N385-I462 HydrophobicContact CB-CD1 3.75Å; N385-I462 HydrophobicContact CB-CG1 4.03Å; N385-I462 PolarHBondContact O-N 3.42Å |
| 386 | Y | 90 | Very high | 78.9 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 12% | 0.122 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 156.7 | -179.4 | 50.8 | -99.3 | 0 | 0 | 0 | 110.2 | D327 L459 L460 I462 W465 | D327-Y386 HydrophobicContact CB-CE1 4.42Å; Y386-L459 CarbonylContact C-O 3.52Å; Y386-L459 WeakPolarHBondContact CA-O 3.46Å; Y386-L459 WeakPolarHBondContact CB-O 3.36Å; Y386-L460 HydrophobicContact CD1-CD2 4.43Å; Y386-L460 HydrophobicContact CG-CD2 4.21Å; Y386-I462 HydrophobicContact CD1-CG1 4.43Å; Y386-W465 HydrophobicContact CD1-CB 4.47Å; Y386-W465 AromaticContact CD2-CD1 3.76Å; Y386-W465 AromaticContact CE2-CD1 3.78Å |
| 387 | L | 89.4 | Confident | 79.3 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.5 | 172.3 | 173.7 | 149.6 | 0 | 0 | 0 | 108.7 | V364 M383 V458 L459 I529 Q530 | V364-L387 HydrophobicContact CB-CD1 4.44Å; V364-L387 HydrophobicContact CG1-CD1 3.71Å; V364-L387 HydrophobicContact CG2-CD1 3.93Å; M383-L387 HydrophobicContact CE-CB 4.34Å; M383-L387 HydrophobicContact CG-CB 4.43Å; M383-L387 HydrophobicContact SD-CB 3.34Å; M383-L387 WeakPolarHBondContact SD-CB 3.16Å; L387-V458 WeakPolarHBondContact O-CA 3.32Å; L387-L459 HydrophobicContact CD2-CD1 4.01Å; L387-L459 PolarHBondContact N-O 3.38Å; L387-L459 PolarHBondContact O-N 3.46Å; L387-I529 HydrophobicContact CD1-CG2 4.29Å; L387-I529 HydrophobicContact CD2-CG2 4.5Å; L387-I529 HydrophobicContact CG-CG2 4.35Å; L387-Q530 WeakPolarHBondContact CA-O 3.36Å |
| 388 | S | 88.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | D392 I457 I529 Q530 | S388-D392 WeakPolarHBondContact CB-OD2 3.41Å; S388-D392 PolarHBondContact OG-OD2 3.17Å; S388-I457 WeakPolarHBondContact CA-O 3.39Å; S388-I529 WeakPolarHBondContact O-CA 3.31Å; S388-Q530 PolarHBondContact N-O 3.34Å; S388-Q530 PolarHBondContact O-N 3.49Å |
| 389 | I | 86.6 | Confident | 79.4 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.1 | 168.7 | -173.4 | 170.4 | 0 | 0 | 0 | 109 | L436 V440 A456 I457 M520 I522 F527 P528 I529 | I389-L436 HydrophobicContact CG1-CD1 4.41Å; I389-L436 HydrophobicContact CG2-CD2 4.44Å; I389-V440 HydrophobicContact CD1-CG2 4.43Å; I389-A456 CarbonylContact O-C 3.59Å; I389-A456 WeakPolarHBondContact O-CA 2.94Å; I389-A456 WeakPolarHBondContact O-CB 3.36Å; I389-I457 HydrophobicContact CG2-CB 3.82Å; I389-I457 PolarHBondContact N-O 2.98Å; I389-I457 PolarHBondContact O-N 3.34Å; I389-M520 HydrophobicContact CB-CE 4.4Å; I389-M520 HydrophobicContact CD1-CE 4.37Å; I389-M520 HydrophobicContact CG2-CE 3.42Å; I389-M520 VanDerWaalsContact CG2-CE 3.42Å; I389-I522 HydrophobicContact CD1-CD1 3.73Å; I389-I522 HydrophobicContact CD1-CG1 4.07Å; I389-F527 HydrophobicContact CD1-CB 3.9Å; I389-F527 HydrophobicContact CG1-CB 3.65Å; I389-F527 HydrophobicContact CG1-CG 4.49Å; I389-P528 WeakPolarHBondContact CA-O 3.28Å; I389-I529 HydrophobicContact CD1-CG1 4.3Å; I389-I529 HydrophobicContact CG1-CG1 4.23Å |
| 390 | G | 84.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | -145.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D392 A393 Q394 E455 P528 | G390-D392 VanDerWaalsContact C-N 3.3Å; G390-D392 PolarHBondContact O-N 3.34Å; G390-A393 PolarHBondContact O-N 2.83Å; G390-A393 VanDerWaalsContact O-N 3.11Å; G390-Q394 PolarHBondContact O-N 2.72Å; G390-E455 CarbonylContact C-O 3.46Å; G390-E455 VanDerWaalsContact CA-O 3.31Å; G390-E455 WeakPolarHBondContact CA-O 3.44Å; G390-P528 PolarHBondContact N-O 3.25Å |
| 391 | V | 79.7 | Confident | 78 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.5 | -36.4 | -169.2 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | Q394 V395 E427 C433 E455 A456 V493 I499 | V391-Q394 PolarHBondContact O-N 3.05Å; V391-V395 HydrophobicContact CG2-CG2 4.4Å; V391-V395 VanDerWaalsContact O-CG2 3.28Å; V391-V395 WeakPolarHBondContact O-CG2 3.33Å; V391-V395 PolarHBondContact O-N 3.39Å; V391-E427 HydrophobicContact CG2-CB 4.17Å; V391-C433 HydrophobicContact CB-CB 4.37Å; V391-C433 PolarHBondContact N-SG 2.92Å; V391-E455 HydrophobicContact CB-CB 4.3Å; V391-E455 HydrophobicContact CG1-CB 3.93Å; V391-E455 PolarHBondContact N-O 2.92Å; V391-A456 HydrophobicContact CG1-CB 3.73Å; V391-V493 HydrophobicContact CG1-CG2 4.01Å; V391-I499 HydrophobicContact CG1-CD1 4.22Å |
| 392 | D | 82 | Confident | 76.8 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -49.5 | 175.5 | -179.3 | 59.6 | 0 | 0 | 0 | 112.2 | S388 G390 Q394 V395 T396 A456 V458 W465 I499 | S388-D392 WeakPolarHBondContact CB-OD2 3.41Å; S388-D392 PolarHBondContact OG-OD2 3.17Å; G390-D392 VanDerWaalsContact C-N 3.3Å; G390-D392 PolarHBondContact O-N 3.34Å; D392-Q394 VanDerWaalsContact C-N 3.25Å; D392-Q394 PolarHBondContact O-N 2.82Å; D392-V395 PolarHBondContact O-N 2.97Å; D392-T396 PolarHBondContact O-N 3.03Å; D392-T396 PolarHBondContact O-OG1 3.09Å; D392-A456 HydrophobicContact CB-CB 4.22Å; D392-V458 HydrophobicContact CB-CG2 4.49Å; D392-W465 HydrophobicContact CB-CZ2 4.32Å; D392-W465 WeakPolarHBondContact OD1-CZ2 3.48Å; D392-W465 PolarHBondContact OD1-NE1 3.19Å; D392-W465 PolarHBondContact OD2-NE1 3.31Å; D392-I499 HydrophobicContact CB-CD1 4.06Å |
| 393 | A | 79.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -33.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G390 L397 P528 Q530 | G390-A393 PolarHBondContact O-N 2.83Å; G390-A393 VanDerWaalsContact O-N 3.11Å; A393-L397 VanDerWaalsContact O-CB 3.3Å; A393-L397 WeakPolarHBondContact O-CB 3.45Å; A393-L397 PolarHBondContact O-N 2.87Å; A393-P528 HydrophobicContact CB-CB 4.07Å; A393-P528 HydrophobicContact CB-CG 4.1Å; A393-P528 WeakPolarHBondContact CB-O 3.42Å; A393-Q530 HydrophobicContact CB-CB 3.74Å |
| 394 | Q | 73.2 | Confident | 73.8 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.4 | -46.7 | 176.3 | -168.3 | 60.6 | 68.2 | 0 | 0 | 111.8 | G390 V391 D392 T396 L397 N398 E427 P528 | G390-Q394 PolarHBondContact O-N 2.72Å; V391-Q394 PolarHBondContact O-N 3.05Å; D392-Q394 VanDerWaalsContact C-N 3.25Å; D392-Q394 PolarHBondContact O-N 2.82Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 3.12Å; Q394-L397 PolarHBondContact O-N 3.03Å; Q394-N398 PolarHBondContact NE2-OD1 3.21Å; Q394-N398 WeakPolarHBondContact O-CB 3.19Å; Q394-N398 PolarHBondContact O-N 3.39Å; Q394-N398 PolarHBondContact O-ND2 3.05Å; Q394-E427 WeakPolarHBondContact CG-OE1 3.49Å; Q394-E427 VanDerWaalsContact CG-OE2 3.27Å; Q394-E427 WeakPolarHBondContact CG-OE2 3.41Å; Q394-P528 HydrophobicContact CB-CG 3.66Å; Q394-P528 HydrophobicContact CG-CG 4.35Å |
| 395 | V | 68.6 | Low | 71.8 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 174.3 | 171 | 0 | 0 | 0 | 0 | 109.8 | V391 D392 N398 F399 F420 E427 | V391-V395 HydrophobicContact CG2-CG2 4.4Å; V391-V395 VanDerWaalsContact O-CG2 3.28Å; V391-V395 WeakPolarHBondContact O-CG2 3.33Å; V391-V395 PolarHBondContact O-N 3.39Å; D392-V395 PolarHBondContact O-N 2.97Å; V395-N398 PolarHBondContact O-N 2.98Å; V395-F399 WeakPolarHBondContact O-CB 3.34Å; V395-F399 PolarHBondContact O-N 3.31Å; V395-F420 HydrophobicContact CG1-CD1 4.16Å; V395-F420 HydrophobicContact CG1-CE1 4.2Å; V395-E427 HydrophobicContact CG2-CB 4.23Å; V395-E427 HydrophobicContact CG2-CG 3.77Å |
| 396 | T | 70 | Confident | 69.6 | Low | 25 Ų | 25 | 32.3 Ų | 32.3 | 15% | 0.153 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | D392 Q394 F399 H400 F420 Q530 | D392-T396 PolarHBondContact O-N 3.03Å; D392-T396 PolarHBondContact O-OG1 3.09Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 3.12Å; T396-F399 PolarHBondContact O-N 3.48Å; T396-H400 WeakPolarHBondContact O-CB 3.35Å; T396-H400 PolarHBondContact O-N 3.26Å; T396-F420 HydrophobicContact CG2-CZ 4.44Å; T396-Q530 VanDerWaalsContact CG2-CD 3.45Å; T396-Q530 HydrophobicContact CG2-CG 4.36Å; T396-Q530 PolarHBondContact OG1-OE1 3.04Å |
| 397 | L | 67.5 | Low | 67.4 | Low | 58 Ų | 58 | 31 Ų | 31 | 30% | 0.304 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.3 | 178.1 | 61.9 | 0 | 0 | 0 | 111.3 | A393 Q394 H400 R401 P528 | A393-L397 VanDerWaalsContact O-CB 3.3Å; A393-L397 WeakPolarHBondContact O-CB 3.45Å; A393-L397 PolarHBondContact O-N 2.87Å; Q394-L397 PolarHBondContact O-N 3.03Å; L397-H400 PolarHBondContact O-N 3.36Å; L397-R401 HydrophobicContact CD1-CG 4.47Å; L397-R401 WeakPolarHBondContact O-CG 3.3Å; L397-R401 PolarHBondContact O-N 2.8Å; L397-P528 HydrophobicContact CD2-CB 4.43Å |
| 398 | N | 64.7 | Low | 65.4 | Low | 36 Ų | 36 | 35.9 Ų | 35.9 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 177 | -66.9 | -15.9 | 0 | 0 | 0 | 110.6 | Q394 V395 H400 R401 K402 Y423 E427 | Q394-N398 PolarHBondContact NE2-OD1 3.21Å; Q394-N398 WeakPolarHBondContact O-CB 3.19Å; Q394-N398 PolarHBondContact O-N 3.39Å; Q394-N398 PolarHBondContact O-ND2 3.05Å; V395-N398 PolarHBondContact O-N 2.98Å; N398-H400 VanDerWaalsContact C-N 3.34Å; N398-H400 PolarHBondContact O-N 3.36Å; N398-R401 PolarHBondContact O-N 2.84Å; N398-K402 WeakPolarHBondContact O-CB 3.42Å; N398-K402 PolarHBondContact O-N 3.1Å; N398-Y423 HydrophobicContact CB-CD1 4.44Å; N398-E427 PolarHBondContact ND2-OE1 2.85Å |
| 399 | F | 63.5 | Low | 63.1 | Low | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 173.2 | 173.7 | -95.8 | 0 | 0 | 0 | 111.7 | V395 T396 K402 R403 N416 L419 F420 | V395-F399 WeakPolarHBondContact O-CB 3.34Å; V395-F399 PolarHBondContact O-N 3.31Å; T396-F399 PolarHBondContact O-N 3.48Å; F399-K402 PolarHBondContact O-N 2.86Å; F399-R403 HydrophobicContact CE1-CB 4.36Å; F399-R403 HydrophobicContact CZ-CB 4.42Å; F399-R403 WeakPolarHBondContact O-CB 3.4Å; F399-R403 PolarHBondContact O-N 2.82Å; F399-N416 WeakPolarHBondContact CE2-O 3.27Å; F399-N416 HydrophobicContact CZ-CB 4.38Å; F399-L419 HydrophobicContact CD2-CB 3.91Å; F399-L419 HydrophobicContact CE2-CB 3.73Å; F399-L419 HydrophobicContact CE2-CD1 4.37Å; F399-F420 HydrophobicContact CB-CD2 4.46Å; F399-F420 HydrophobicContact CB-CE2 4.27Å; F399-F420 HydrophobicContact CB-CZ 4.44Å; F399-F420 AromaticContact CD1-CD2 3.81Å; F399-F420 HydrophobicContact CD1-CD2 3.81Å; F399-F420 AromaticContact CD1-CE2 3.31Å; F399-F420 HydrophobicContact CD1-CE2 3.31Å; F399-F420 HydrophobicContact CD1-CZ 4.04Å; F399-F420 HydrophobicContact CD2-CB 4.5Å; F399-F420 AromaticContact CD2-CD2 3.5Å; F399-F420 HydrophobicContact CD2-CD2 3.5Å; F399-F420 AromaticContact CD2-CE2 3.92Å; F399-F420 HydrophobicContact CD2-CE2 3.92Å; F399-F420 HydrophobicContact CD2-CG 4.12Å; F399-F420 AromaticContact CE1-CD2 3.85Å; F399-F420 HydrophobicContact CE1-CD2 3.85Å; F399-F420 AromaticContact CE1-CE2 3.49Å; F399-F420 HydrophobicContact CE1-CE2 3.49Å; F399-F420 VanDerWaalsContact CE1-CE2 3.49Å; F399-F420 AromaticContact CE2-CD2 3.55Å; F399-F420 HydrophobicContact CE2-CD2 3.55Å; F399-F420 HydrophobicContact CE2-CE2 4.07Å; F399-F420 HydrophobicContact CE2-CG 4.42Å; F399-F420 AromaticContact CG-CD2 3.64Å; F399-F420 HydrophobicContact CG-CD2 3.64Å; F399-F420 AromaticContact CG-CE2 3.55Å; F399-F420 HydrophobicContact CG-CE2 3.55Å; F399-F420 HydrophobicContact CG-CG 4.35Å; F399-F420 HydrophobicContact CG-CZ 4.18Å; F399-F420 AromaticContact CZ-CD2 3.72Å; F399-F420 HydrophobicContact CZ-CD2 3.72Å; F399-F420 AromaticContact CZ-CE2 3.88Å; F399-F420 HydrophobicContact CZ-CE2 3.88Å |
| 400 | H | 61.4 | Low | 61.2 | Low | 67 Ų | 67 | 42.8 Ų | 42.8 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -49.5 | 179.3 | -178.9 | 81.6 | 0 | 0 | 0 | 111.8 | T396 L397 N398 K402 R403 N404 L534 | T396-H400 WeakPolarHBondContact O-CB 3.35Å; T396-H400 PolarHBondContact O-N 3.26Å; L397-H400 PolarHBondContact O-N 3.36Å; N398-H400 VanDerWaalsContact C-N 3.34Å; N398-H400 PolarHBondContact O-N 3.36Å; H400-K402 PolarHBondContact O-N 2.69Å; H400-R403 PolarHBondContact O-N 3.48Å; H400-N404 PolarHBondContact NE2-ND2 3.31Å; H400-N404 VanDerWaalsContact O-CG 3.32Å; H400-N404 PolarHBondContact O-N 3.48Å; H400-N404 PolarHBondContact O-ND2 2.79Å; H400-L534 PolarHBondContact CE1-O 3.42Å |
| 401 | R | 59.7 | Low | 59.4 | Low | 162 Ų | 162 | 43.2 Ų | 43.2 | 61% | 0.611 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -57.2 | -41.9 | 176 | -73.4 | 175.1 | 175.9 | 176.1 | -1.5 | 111.2 | L397 N398 | L397-R401 HydrophobicContact CD1-CG 4.47Å; L397-R401 WeakPolarHBondContact O-CG 3.3Å; L397-R401 PolarHBondContact O-N 2.8Å; N398-R401 PolarHBondContact O-N 2.84Å |
| 402 | K | 55.8 | Low | 57.9 | Low | 15 Ų | 15 | 44.4 Ų | 44.4 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.2 | -37 | 179.7 | -173.6 | 78.2 | -176.5 | -147.1 | 0 | 113.3 | N398 F399 H400 N404 S405 I406 Y423 I612 | N398-K402 WeakPolarHBondContact O-CB 3.42Å; N398-K402 PolarHBondContact O-N 3.1Å; F399-K402 PolarHBondContact O-N 2.86Å; H400-K402 PolarHBondContact O-N 2.69Å; K402-N404 PolarHBondContact O-N 2.79Å; K402-S405 WeakPolarHBondContact CA-OG 3.36Å; K402-S405 VanDerWaalsContact CD-OG 3.28Å; K402-S405 WeakPolarHBondContact CD-OG 3.21Å; K402-S405 CarbonylContact O-C 3.5Å; K402-S405 VanDerWaalsContact O-CA 3.27Å; K402-S405 WeakPolarHBondContact O-CA 3.04Å; K402-S405 WeakPolarHBondContact O-CB 3.11Å; K402-S405 PolarHBondContact O-N 3.09Å; K402-S405 PolarHBondContact O-OG 2.83Å; K402-I406 HydrophobicContact CD-CD1 4.45Å; K402-I406 HydrophobicContact CG-CD1 3.75Å; K402-I406 HydrophobicContact CG-CG1 4.31Å; K402-I406 WeakPolarHBondContact O-CG1 3.35Å; K402-I406 PolarHBondContact O-N 3.46Å; K402-Y423 HydrophobicContact CB-CE2 3.99Å; K402-Y423 HydrophobicContact CD-CE2 4.17Å; K402-Y423 WeakPolarHBondContact CD-OH 3.46Å; K402-Y423 WeakPolarHBondContact CE-OH 3.39Å; K402-Y423 HydrophobicContact CG-CD2 4.5Å; K402-Y423 HydrophobicContact CG-CE2 3.51Å; K402-Y423 WeakPolarHBondContact CG-OH 3.26Å; K402-Y423 PolarHBondContact NZ-OH 3.04Å; K402-I612 HydrophobicContact CD-CD1 4.13Å; K402-I612 HydrophobicContact CD-CG2 4.26Å |
| 403 | R | 54.9 | Low | 56.3 | Low | 81 Ų | 81 | 48.5 Ų | 48.5 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -36.6 | 176 | -179.9 | 179.5 | 174.9 | -171 | -3.7 | 110.5 | F399 H400 S405 I406 | F399-R403 HydrophobicContact CE1-CB 4.36Å; F399-R403 HydrophobicContact CZ-CB 4.42Å; F399-R403 WeakPolarHBondContact O-CB 3.4Å; F399-R403 PolarHBondContact O-N 2.82Å; H400-R403 PolarHBondContact O-N 3.48Å; R403-S405 PolarHBondContact O-N 2.83Å; R403-S405 VanDerWaalsContact O-N 3.16Å; R403-I406 PolarHBondContact O-N 3.31Å |
| 404 | N | 51.1 | Low | 54.9 | Low | 85 Ų | 85 | 55.2 Ų | 55.2 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 3.7 | 170.8 | -58.8 | -21.7 | 0 | 0 | 0 | 113 | H400 K402 F669 | H400-N404 PolarHBondContact NE2-ND2 3.31Å; H400-N404 VanDerWaalsContact O-CG 3.32Å; H400-N404 PolarHBondContact O-N 3.48Å; H400-N404 PolarHBondContact O-ND2 2.79Å; K402-N404 PolarHBondContact O-N 2.79Å; N404-F669 CarbonylContact O-C 3.59Å; N404-F669 VanDerWaalsContact O-C 3.28Å |
| 405 | S | 48.1 | Very low | 54 | Low | 33 Ų | 33 | 56.1 Ų | 56.1 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 8 | 174.8 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | K402 R403 L608 F669 | K402-S405 WeakPolarHBondContact CA-OG 3.36Å; K402-S405 VanDerWaalsContact CD-OG 3.28Å; K402-S405 WeakPolarHBondContact CD-OG 3.21Å; K402-S405 CarbonylContact O-C 3.5Å; K402-S405 VanDerWaalsContact O-CA 3.27Å; K402-S405 WeakPolarHBondContact O-CA 3.04Å; K402-S405 WeakPolarHBondContact O-CB 3.11Å; K402-S405 PolarHBondContact O-N 3.09Å; K402-S405 PolarHBondContact O-OG 2.83Å; R403-S405 PolarHBondContact O-N 2.83Å; R403-S405 VanDerWaalsContact O-N 3.16Å; S405-L608 WeakPolarHBondContact O-CD2 3.38Å; S405-F669 VanDerWaalsContact C-CD1 3.46Å; S405-F669 VanDerWaalsContact O-CD1 3.31Å; S405-F669 WeakPolarHBondContact O-CD1 2.84Å |
| 406 | I | 43.3 | Very low | 53.3 | Low | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -117.8 | 140.2 | -178.5 | -69.3 | 174.2 | 0 | 0 | 0 | 110 | K402 R403 L419 L608 | K402-I406 HydrophobicContact CD-CD1 4.45Å; K402-I406 HydrophobicContact CG-CD1 3.75Å; K402-I406 HydrophobicContact CG-CG1 4.31Å; K402-I406 WeakPolarHBondContact O-CG1 3.35Å; K402-I406 PolarHBondContact O-N 3.46Å; R403-I406 PolarHBondContact O-N 3.31Å; I406-L419 HydrophobicContact CD1-CD1 3.27Å; I406-L419 HydrophobicContact CD1-CD2 3.18Å; I406-L419 HydrophobicContact CD1-CG 3.82Å; I406-L419 HydrophobicContact CG2-CD1 4.36Å; I406-L608 HydrophobicContact CG1-CD2 4.48Å |
| 407 | P | 43.6 | Very low | 52.6 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | trans | -72.5 | 140.6 | -168.2 | 9.9 | 2.8 | 0 | 0 | 0 | 108.8 | L409 L410 S411 L608 A668 F669 | P407-L409 VanDerWaalsContact C-N 3.28Å; P407-L409 PolarHBondContact O-N 3.12Å; P407-L410 HydrophobicContact CB-CD1 4.37Å; P407-L410 HydrophobicContact CG-CB 4.22Å; P407-L410 HydrophobicContact CG-CD1 3.47Å; P407-L410 VanDerWaalsContact CG-CD1 3.47Å; P407-L410 HydrophobicContact CG-CG 4.07Å; P407-L410 CarbonylContact O-C 3.58Å; P407-L410 WeakPolarHBondContact O-CA 3.22Å; P407-L410 WeakPolarHBondContact O-CB 3.44Å; P407-L410 PolarHBondContact O-N 2.88Å; P407-S411 PolarHBondContact O-N 3.17Å; P407-S411 VanDerWaalsContact O-N 3.1Å; P407-L608 HydrophobicContact CG-CD2 4.07Å; P407-A668 HydrophobicContact CB-CB 4.24Å; P407-F669 HydrophobicContact CB-CD1 4.18Å; P407-F669 HydrophobicContact CB-CE1 3.42Å; P407-F669 VanDerWaalsContact CB-CE1 3.42Å; P407-F669 HydrophobicContact CB-CE2 3.97Å; P407-F669 HydrophobicContact CB-CZ 3.31Å; P407-F669 HydrophobicContact CG-CD1 4.33Å; P407-F669 HydrophobicContact CG-CE1 3.22Å; P407-F669 HydrophobicContact CG-CE2 4.26Å; P407-F669 HydrophobicContact CG-CZ 3.19Å | ||
| 408 | R | 47.1 | Very low | 52 | Low | 115 Ų | 115 | 61.2 Ų | 61.2 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -66.6 | -29.6 | -173.9 | -85.1 | 178.5 | -170.7 | 164 | 12.5 | 112.2 | L410 S411 N667 A668 | R408-L410 PolarHBondContact O-N 3.16Å; R408-S411 WeakPolarHBondContact CA-OG 3.49Å; R408-S411 WeakPolarHBondContact O-CB 3.34Å; R408-S411 PolarHBondContact O-N 2.8Å; R408-S411 PolarHBondContact O-OG 3.43Å; R408-N667 PolarHBondContact NE-O 3.08Å; R408-N667 PolarHBondContact NH1-O 2.74Å; R408-N667 PolarHBondContact NH2-O 2.91Å; R408-A668 HydrophobicContact CB-CB 3.86Å; R408-A668 HydrophobicContact CG-CB 4.02Å |
| 409 | L | 40.8 | Very low | 51.7 | Low | 117 Ų | 117 | 60.2 Ų | 60.2 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -57.8 | -28.1 | 170 | -102.5 | 88.1 | 0 | 0 | 0 | 112.3 | P407 E664 | P407-L409 VanDerWaalsContact C-N 3.28Å; P407-L409 PolarHBondContact O-N 3.12Å; L409-E664 HydrophobicContact CD1-CG 4.34Å; L409-E664 WeakPolarHBondContact CD1-OE2 3.29Å |
| 410 | L | 45.6 | Very low | 51.4 | Low | 31 Ų | 31 | 62.8 Ų | 62.8 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -102.1 | 6.4 | 177.9 | -53.9 | 170.6 | 0 | 0 | 0 | 111.1 | P407 R408 G412 I415 L603 P605 | P407-L410 HydrophobicContact CB-CD1 4.37Å; P407-L410 HydrophobicContact CG-CB 4.22Å; P407-L410 HydrophobicContact CG-CD1 3.47Å; P407-L410 VanDerWaalsContact CG-CD1 3.47Å; P407-L410 HydrophobicContact CG-CG 4.07Å; P407-L410 CarbonylContact O-C 3.58Å; P407-L410 WeakPolarHBondContact O-CA 3.22Å; P407-L410 WeakPolarHBondContact O-CB 3.44Å; P407-L410 PolarHBondContact O-N 2.88Å; R408-L410 PolarHBondContact O-N 3.16Å; L410-G412 PolarHBondContact O-N 2.96Å; L410-I415 HydrophobicContact CB-CD1 3.96Å; L410-I415 HydrophobicContact CD2-CD1 4.45Å; L410-I415 WeakPolarHBondContact O-CB 3.49Å; L410-I415 WeakPolarHBondContact O-CD1 3.2Å; L410-I415 WeakPolarHBondContact O-CG2 3.49Å; L410-L603 WeakPolarHBondContact CD1-O 3.36Å; L410-P605 HydrophobicContact CB-CB 3.91Å; L410-P605 HydrophobicContact CB-CG 4.18Å; L410-P605 HydrophobicContact CD1-CB 3.49Å; L410-P605 VanDerWaalsContact CD1-CB 3.49Å; L410-P605 HydrophobicContact CD1-CG 3.72Å; L410-P605 VanDerWaalsContact CD1-N 3.31Å; L410-P605 HydrophobicContact CD2-CB 4.33Å; L410-P605 HydrophobicContact CD2-CG 3.76Å; L410-P605 HydrophobicContact CG-CB 4.05Å; L410-P605 HydrophobicContact CG-CG 4.03Å |
| 411 | S | 47.9 | Very low | 51.3 | Low | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -82.1 | 30.6 | 171.9 | 77.7 | 0 | 0 | 0 | 0 | 112.6 | P407 R408 N416 | P407-S411 PolarHBondContact O-N 3.17Å; P407-S411 VanDerWaalsContact O-N 3.1Å; R408-S411 WeakPolarHBondContact CA-OG 3.49Å; R408-S411 WeakPolarHBondContact O-CB 3.34Å; R408-S411 PolarHBondContact O-N 2.8Å; R408-S411 PolarHBondContact O-OG 3.43Å; S411-N416 PolarHBondContact O-ND2 3.44Å | ||
| 412 | G | 47.8 | Very low | 51.2 | Low | 26 Ų | 26 | 60.3 Ų | 60.3 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | trans | -56.4 | 151.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L410 F414 I415 N416 | L410-G412 PolarHBondContact O-N 2.96Å; G412-F414 PolarHBondContact O-N 3.32Å; G412-F414 VanDerWaalsContact O-N 3.09Å; G412-I415 PolarHBondContact O-N 3.3Å; G412-N416 PolarHBondContact O-N 3.31Å | ||
| 413 | R | 49.5 | Very low | 51.5 | Low | 95 Ų | 95 | 60.6 Ų | 60.6 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.9 | -36.7 | 180 | -172.2 | 179.6 | -167.2 | -178.2 | 3.3 | 112.4 | T324 K417 | T324-R413 HydrophobicContact CG2-CB 4.27Å; T324-R413 HydrophobicContact CG2-CG 3.98Å; R413-K417 WeakPolarHBondContact O-CG 3.43Å; R413-K417 PolarHBondContact O-N 3.32Å |
| 414 | F | 49.6 | Very low | 51.4 | Low | 142 Ų | 142 | 57.4 Ų | 57.4 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.7 | -48.4 | 177.4 | -176.1 | -96.6 | 0 | 0 | 0 | 112.3 | G412 K417 M418 | G412-F414 PolarHBondContact O-N 3.32Å; G412-F414 VanDerWaalsContact O-N 3.09Å; F414-K417 WeakPolarHBondContact O-CB 3.25Å; F414-K417 PolarHBondContact O-N 3.19Å; F414-K417 VanDerWaalsContact O-N 3.17Å; F414-M418 HydrophobicContact CD1-CG 4.19Å; F414-M418 HydrophobicContact CE1-CE 4.02Å; F414-M418 HydrophobicContact CE1-CG 3.86Å; F414-M418 HydrophobicContact CE2-CE 3.66Å; F414-M418 HydrophobicContact CZ-CE 3.35Å; F414-M418 HydrophobicContact CZ-CG 4.17Å; F414-M418 WeakPolarHBondContact O-CG 3.35Å; F414-M418 PolarHBondContact O-N 2.86Å |
| 415 | I | 53.9 | Low | 51.5 | Low | 41 Ų | 41 | 55.9 Ų | 55.9 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | -177.7 | -64.5 | 166.6 | 0 | 0 | 0 | 110.7 | L410 G412 K417 M418 L419 P605 | L410-I415 HydrophobicContact CB-CD1 3.96Å; L410-I415 HydrophobicContact CD2-CD1 4.45Å; L410-I415 WeakPolarHBondContact O-CB 3.49Å; L410-I415 WeakPolarHBondContact O-CD1 3.2Å; L410-I415 WeakPolarHBondContact O-CG2 3.49Å; G412-I415 PolarHBondContact O-N 3.3Å; I415-K417 VanDerWaalsContact C-N 3.27Å; I415-K417 PolarHBondContact O-N 2.65Å; I415-M418 PolarHBondContact O-N 2.92Å; I415-M418 VanDerWaalsContact O-N 3.1Å; I415-L419 HydrophobicContact CG2-CD1 3.93Å; I415-L419 HydrophobicContact CG2-CG 4.28Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 VanDerWaalsContact O-CG 3.28Å; I415-L419 WeakPolarHBondContact O-CG 3.35Å; I415-L419 PolarHBondContact O-N 2.91Å; I415-P605 HydrophobicContact CD1-CG 4.15Å |
| 416 | N | 54.5 | Low | 51.9 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -35.3 | 174.1 | -74.6 | -19.4 | 0 | 0 | 0 | 112.4 | T324 F399 S411 G412 F420 | T324-N416 HydrophobicContact CG2-CB 3.26Å; F399-N416 WeakPolarHBondContact CE2-O 3.27Å; F399-N416 HydrophobicContact CZ-CB 4.38Å; S411-N416 PolarHBondContact O-ND2 3.44Å; G412-N416 PolarHBondContact O-N 3.31Å; N416-F420 PolarHBondContact O-N 3.28Å |
| 417 | K | 55.2 | Low | 52.4 | Low | 106 Ų | 106 | 57.6 Ų | 57.6 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 171.5 | -79 | -179.5 | 176.4 | -172.8 | 0 | 111.8 | R413 F414 I415 F420 F421 | R413-K417 WeakPolarHBondContact O-CG 3.43Å; R413-K417 PolarHBondContact O-N 3.32Å; F414-K417 WeakPolarHBondContact O-CB 3.25Å; F414-K417 PolarHBondContact O-N 3.19Å; F414-K417 VanDerWaalsContact O-N 3.17Å; I415-K417 VanDerWaalsContact C-N 3.27Å; I415-K417 PolarHBondContact O-N 2.65Å; K417-F420 WeakPolarHBondContact O-CB 3.28Å; K417-F420 PolarHBondContact O-N 2.95Å; K417-F421 PolarHBondContact O-N 3.1Å; K417-F421 VanDerWaalsContact O-N 3.16Å |
| 418 | M | 54.8 | Low | 52.7 | Low | 89 Ų | 89 | 59.4 Ų | 59.4 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.8 | -73 | -59.2 | 172.1 | 0 | 0 | 112.5 | F414 I415 F420 F421 V422 | F414-M418 HydrophobicContact CD1-CG 4.19Å; F414-M418 HydrophobicContact CE1-CE 4.02Å; F414-M418 HydrophobicContact CE1-CG 3.86Å; F414-M418 HydrophobicContact CE2-CE 3.66Å; F414-M418 HydrophobicContact CZ-CE 3.35Å; F414-M418 HydrophobicContact CZ-CG 4.17Å; F414-M418 WeakPolarHBondContact O-CG 3.35Å; F414-M418 PolarHBondContact O-N 2.86Å; I415-M418 PolarHBondContact O-N 2.92Å; I415-M418 VanDerWaalsContact O-N 3.1Å; M418-F420 PolarHBondContact O-N 2.71Å; M418-F421 WeakPolarHBondContact O-CB 3.15Å; M418-F421 PolarHBondContact O-N 2.8Å; M418-F421 VanDerWaalsContact O-N 3.15Å; M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.23Å |
| 419 | L | 58 | Low | 52.6 | Low | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.7 | -72.6 | 163.7 | 0 | 0 | 0 | 111.7 | F399 I406 I415 F421 V422 Y423 | F399-L419 HydrophobicContact CD2-CB 3.91Å; F399-L419 HydrophobicContact CE2-CB 3.73Å; F399-L419 HydrophobicContact CE2-CD1 4.37Å; I406-L419 HydrophobicContact CD1-CD1 3.27Å; I406-L419 HydrophobicContact CD1-CD2 3.18Å; I406-L419 HydrophobicContact CD1-CG 3.82Å; I406-L419 HydrophobicContact CG2-CD1 4.36Å; I415-L419 HydrophobicContact CG2-CD1 3.93Å; I415-L419 HydrophobicContact CG2-CG 4.28Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 VanDerWaalsContact O-CG 3.28Å; I415-L419 WeakPolarHBondContact O-CG 3.35Å; I415-L419 PolarHBondContact O-N 2.91Å; L419-F421 PolarHBondContact O-N 3.35Å; L419-V422 PolarHBondContact O-N 3.41Å; L419-Y423 HydrophobicContact CD2-CE2 3.89Å; L419-Y423 WeakPolarHBondContact O-CD2 3.49Å; L419-Y423 PolarHBondContact O-N 3.09Å |
| 420 | F | 57.3 | Low | 53.2 | Low | 67 Ų | 67 | 60.2 Ų | 60.2 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.2 | -41.8 | 174.9 | -116.5 | -78.2 | 0 | 0 | 0 | 111.7 | V395 T396 F399 N416 K417 M418 G424 | V395-F420 HydrophobicContact CG1-CD1 4.16Å; V395-F420 HydrophobicContact CG1-CE1 4.2Å; T396-F420 HydrophobicContact CG2-CZ 4.44Å; F399-F420 HydrophobicContact CB-CD2 4.46Å; F399-F420 HydrophobicContact CB-CE2 4.27Å; F399-F420 HydrophobicContact CB-CZ 4.44Å; F399-F420 AromaticContact CD1-CD2 3.81Å; F399-F420 HydrophobicContact CD1-CD2 3.81Å; F399-F420 AromaticContact CD1-CE2 3.31Å; F399-F420 HydrophobicContact CD1-CE2 3.31Å; F399-F420 HydrophobicContact CD1-CZ 4.04Å; F399-F420 HydrophobicContact CD2-CB 4.5Å; F399-F420 AromaticContact CD2-CD2 3.5Å; F399-F420 HydrophobicContact CD2-CD2 3.5Å; F399-F420 AromaticContact CD2-CE2 3.92Å; F399-F420 HydrophobicContact CD2-CE2 3.92Å; F399-F420 HydrophobicContact CD2-CG 4.12Å; F399-F420 AromaticContact CE1-CD2 3.85Å; F399-F420 HydrophobicContact CE1-CD2 3.85Å; F399-F420 AromaticContact CE1-CE2 3.49Å; F399-F420 HydrophobicContact CE1-CE2 3.49Å; F399-F420 VanDerWaalsContact CE1-CE2 3.49Å; F399-F420 AromaticContact CE2-CD2 3.55Å; F399-F420 HydrophobicContact CE2-CD2 3.55Å; F399-F420 HydrophobicContact CE2-CE2 4.07Å; F399-F420 HydrophobicContact CE2-CG 4.42Å; F399-F420 AromaticContact CG-CD2 3.64Å; F399-F420 HydrophobicContact CG-CD2 3.64Å; F399-F420 AromaticContact CG-CE2 3.55Å; F399-F420 HydrophobicContact CG-CE2 3.55Å; F399-F420 HydrophobicContact CG-CG 4.35Å; F399-F420 HydrophobicContact CG-CZ 4.18Å; F399-F420 AromaticContact CZ-CD2 3.72Å; F399-F420 HydrophobicContact CZ-CD2 3.72Å; F399-F420 AromaticContact CZ-CE2 3.88Å; F399-F420 HydrophobicContact CZ-CE2 3.88Å; N416-F420 PolarHBondContact O-N 3.28Å; K417-F420 WeakPolarHBondContact O-CB 3.28Å; K417-F420 PolarHBondContact O-N 2.95Å; M418-F420 PolarHBondContact O-N 2.71Å; F420-G424 PolarHBondContact O-N 2.98Å |
| 421 | F | 59 | Low | 53.8 | Low | 106 Ų | 106 | 61.8 Ų | 61.8 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 176.6 | -178.7 | -96.9 | 0 | 0 | 0 | 112.9 | K417 M418 L419 G424 T425 | K417-F421 PolarHBondContact O-N 3.1Å; K417-F421 VanDerWaalsContact O-N 3.16Å; M418-F421 WeakPolarHBondContact O-CB 3.15Å; M418-F421 PolarHBondContact O-N 2.8Å; M418-F421 VanDerWaalsContact O-N 3.15Å; L419-F421 PolarHBondContact O-N 3.35Å; F421-G424 PolarHBondContact O-N 3.05Å; F421-T425 HydrophobicContact CE1-CG2 4.38Å; F421-T425 HydrophobicContact CZ-CG2 4.36Å; F421-T425 WeakPolarHBondContact O-CG2 3.31Å; F421-T425 PolarHBondContact O-N 2.81Å; F421-T425 PolarHBondContact O-OG1 3.06Å; F421-T425 VanDerWaalsContact O-OG1 3.11Å |
| 422 | V | 58.2 | Low | 54.3 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | M418 L419 T425 K426 | M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.23Å; L419-V422 PolarHBondContact O-N 3.41Å; V422-T425 WeakPolarHBondContact CA-OG1 3.45Å; V422-T425 PolarHBondContact O-N 2.73Å; V422-T425 PolarHBondContact O-OG1 2.96Å; V422-K426 PolarHBondContact O-N 2.84Å |
| 423 | Y | 61 | Low | 55 | Low | 22 Ų | 22 | 68 Ų | 68 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.9 | -31.3 | 178 | -73.9 | -68.8 | 0 | 0 | 0 | 113 | N398 K402 L419 T425 K426 E427 | N398-Y423 HydrophobicContact CB-CD1 4.44Å; K402-Y423 HydrophobicContact CB-CE2 3.99Å; K402-Y423 HydrophobicContact CD-CE2 4.17Å; K402-Y423 WeakPolarHBondContact CD-OH 3.46Å; K402-Y423 WeakPolarHBondContact CE-OH 3.39Å; K402-Y423 HydrophobicContact CG-CD2 4.5Å; K402-Y423 HydrophobicContact CG-CE2 3.51Å; K402-Y423 WeakPolarHBondContact CG-OH 3.26Å; K402-Y423 PolarHBondContact NZ-OH 3.04Å; L419-Y423 HydrophobicContact CD2-CE2 3.89Å; L419-Y423 WeakPolarHBondContact O-CD2 3.49Å; L419-Y423 PolarHBondContact O-N 3.09Å; Y423-T425 VanDerWaalsContact C-N 3.26Å; Y423-T425 PolarHBondContact O-N 3.28Å; Y423-K426 HydrophobicContact CD1-CD 4.5Å; Y423-K426 HydrophobicContact CE1-CD 4.44Å; Y423-K426 PolarHBondContact O-N 2.72Å; Y423-E427 PolarHBondContact O-N 3.47Å |
| 424 | G | 53.7 | Low | 55.8 | Low | 14 Ų | 14 | 70 Ų | 70 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | F420 F421 S496 | F420-G424 PolarHBondContact O-N 2.98Å; F421-G424 PolarHBondContact O-N 3.05Å; G424-S496 WeakPolarHBondContact O-CB 3.38Å; G424-S496 PolarHBondContact O-OG 2.95Å |
| 425 | T | 53.5 | Low | 56.9 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.7 | -31.6 | 179.3 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | F421 V422 Y423 E427 V428 | F421-T425 HydrophobicContact CE1-CG2 4.38Å; F421-T425 HydrophobicContact CZ-CG2 4.36Å; F421-T425 WeakPolarHBondContact O-CG2 3.31Å; F421-T425 PolarHBondContact O-N 2.81Å; F421-T425 PolarHBondContact O-OG1 3.06Å; F421-T425 VanDerWaalsContact O-OG1 3.11Å; V422-T425 WeakPolarHBondContact CA-OG1 3.45Å; V422-T425 PolarHBondContact O-N 2.73Å; V422-T425 PolarHBondContact O-OG1 2.96Å; Y423-T425 VanDerWaalsContact C-N 3.26Å; Y423-T425 PolarHBondContact O-N 3.28Å; T425-E427 PolarHBondContact O-N 3.02Å; T425-V428 VanDerWaalsContact O-CB 3.25Å; T425-V428 WeakPolarHBondContact O-CB 3.45Å; T425-V428 VanDerWaalsContact O-CG2 3.31Å; T425-V428 WeakPolarHBondContact O-CG2 3.26Å; T425-V428 PolarHBondContact O-N 2.63Å |
| 426 | K | 55.4 | Low | 58.2 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175 | -168.3 | 177 | 179.7 | 179.2 | 0 | 112.8 | V422 Y423 V428 F429 D616 | V422-K426 PolarHBondContact O-N 2.84Å; Y423-K426 HydrophobicContact CD1-CD 4.5Å; Y423-K426 HydrophobicContact CE1-CD 4.44Å; Y423-K426 PolarHBondContact O-N 2.72Å; K426-V428 PolarHBondContact O-N 3.21Å; K426-F429 PolarHBondContact O-N 3.2Å; K426-F429 VanDerWaalsContact O-N 3.16Å; K426-D616 IonicContact NZ-OD2 2.91Å; K426-D616 PolarHBondContact NZ-OD2 3.49Å |
| 427 | E | 53.5 | Low | 59.4 | Low | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -22.5 | 178 | -76 | -90.9 | 137.1 | 0 | 0 | 113.4 | V391 Q394 V395 N398 Y423 T425 F429 E430 H431 | V391-E427 HydrophobicContact CG2-CB 4.17Å; Q394-E427 WeakPolarHBondContact CG-OE1 3.49Å; Q394-E427 VanDerWaalsContact CG-OE2 3.27Å; Q394-E427 WeakPolarHBondContact CG-OE2 3.41Å; V395-E427 HydrophobicContact CG2-CB 4.23Å; V395-E427 HydrophobicContact CG2-CG 3.77Å; N398-E427 PolarHBondContact ND2-OE1 2.85Å; Y423-E427 PolarHBondContact O-N 3.47Å; T425-E427 PolarHBondContact O-N 3.02Å; E427-F429 PolarHBondContact O-N 3.32Å; E427-F429 VanDerWaalsContact O-N 3.11Å; E427-E430 PolarHBondContact O-N 2.9Å; E427-H431 PolarHBondContact O-N 2.78Å |
| 428 | V | 50.3 | Low | 60.7 | Low | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.255 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.9 | -29.5 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | T425 K426 H431 S496 F497 | T425-V428 VanDerWaalsContact O-CB 3.25Å; T425-V428 WeakPolarHBondContact O-CB 3.45Å; T425-V428 VanDerWaalsContact O-CG2 3.31Å; T425-V428 WeakPolarHBondContact O-CG2 3.26Å; T425-V428 PolarHBondContact O-N 2.63Å; K426-V428 PolarHBondContact O-N 3.21Å; V428-H431 PolarHBondContact O-NE2 3.19Å; V428-S496 WeakPolarHBondContact CG2-OG 3.48Å; V428-S496 PolarHBondContact N-OG 3.4Å; V428-S496 VanDerWaalsContact N-OG 3.16Å; V428-F497 HydrophobicContact CG2-CB 4.13Å |
| 429 | F | 44.7 | Very low | 62 | Low | 176 Ų | 176 | 63.1 Ų | 63.1 | 77% | 0.772 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -92.8 | -23 | -177.1 | -63.7 | -79.3 | 0 | 0 | 0 | 113.8 | K426 E427 | K426-F429 PolarHBondContact O-N 3.2Å; K426-F429 VanDerWaalsContact O-N 3.16Å; E427-F429 PolarHBondContact O-N 3.32Å; E427-F429 VanDerWaalsContact O-N 3.11Å |
| 430 | E | 54.7 | Low | 63.4 | Low | 73 Ų | 73 | 62.6 Ų | 62.6 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -97.4 | -18.7 | -170.8 | -68.9 | -169.4 | -159.7 | 0 | 0 | 114.7 | E427 R432 | E427-E430 PolarHBondContact O-N 2.9Å; E430-R432 HydrophobicContact CB-CG 4.28Å; E430-R432 PolarHBondContact O-N 3.35Å; E430-R432 IonicContact OE2-CZ 2.83Å; E430-R432 IonicContact OE2-NE 3.36Å; E430-R432 PolarHBondContact OE2-NE 3.33Å; E430-R432 IonicContact OE2-NH2 3.47Å; E430-R432 PolarHBondContact OE2-NH2 3.04Å |
| 431 | H | 58.4 | Low | 65.1 | Low | 64 Ų | 64 | 61.9 Ų | 61.9 | 30% | 0.296 | 30% | 0.3 | S | S | . | . | trans | 46.1 | 27.8 | 168.9 | -75.5 | -62.3 | 0 | 0 | 0 | 116.7 | E427 V428 C433 R434 E455 | E427-H431 PolarHBondContact O-N 2.78Å; V428-H431 PolarHBondContact O-NE2 3.19Å; H431-C433 PolarHBondContact O-N 3.18Å; H431-C433 VanDerWaalsContact O-N 3.14Å; H431-R434 HydrophobicContact CB-CG 3.88Å; H431-R434 PolarHBondContact CD2-NH2 3.02Å; H431-R434 PolarHBondContact CE1-NH2 3.25Å; H431-R434 VanDerWaalsContact CE1-NH2 3.3Å; H431-R434 VanDerWaalsContact CG-CZ 3.5Å; H431-R434 PolarHBondContact ND1-NE 2.61Å; H431-R434 VanDerWaalsContact ND1-NE 3.16Å; H431-R434 PolarHBondContact NE2-NH2 3.27Å; H431-R434 WeakPolarHBondContact O-CB 3.07Å; H431-R434 WeakPolarHBondContact O-CG 3.35Å; H431-R434 PolarHBondContact O-N 3.27Å; H431-R434 VanDerWaalsContact O-N 3.16Å; H431-E455 IonicContact CE1-OE1 3.13Å; H431-E455 IonicContact ND1-OE1 2.64Å; H431-E455 PolarHBondContact ND1-OE1 3.25Å | ||
| 432 | R | 58.4 | Low | 66.7 | Low | 164 Ų | 164 | 56.9 Ų | 56.9 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.7 | -172.9 | -63.4 | -174.3 | -171.6 | -159.7 | 1.8 | 113.6 | E430 | E430-R432 HydrophobicContact CB-CG 4.28Å; E430-R432 PolarHBondContact O-N 3.35Å; E430-R432 IonicContact OE2-CZ 2.83Å; E430-R432 IonicContact OE2-NE 3.36Å; E430-R432 PolarHBondContact OE2-NE 3.33Å; E430-R432 IonicContact OE2-NH2 3.47Å; E430-R432 PolarHBondContact OE2-NH2 3.04Å |
| 433 | C | 61.4 | Low | 68.5 | Low | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 13.9 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | V391 H431 E455 F527 | V391-C433 HydrophobicContact CB-CB 4.37Å; V391-C433 PolarHBondContact N-SG 2.92Å; H431-C433 PolarHBondContact O-N 3.18Å; H431-C433 VanDerWaalsContact O-N 3.14Å; C433-E455 HydrophobicContact CB-CB 4.46Å; C433-E455 WeakPolarHBondContact CB-O 3.41Å; C433-F527 HydrophobicContact CB-CD1 4.37Å |
| 434 | R | 66.8 | Low | 70.2 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 148.9 | 174.9 | -84.2 | -175.9 | -178.7 | -178.5 | 3.6 | 111.5 | H431 L436 E455 | H431-R434 HydrophobicContact CB-CG 3.88Å; H431-R434 PolarHBondContact CD2-NH2 3.02Å; H431-R434 PolarHBondContact CE1-NH2 3.25Å; H431-R434 VanDerWaalsContact CE1-NH2 3.3Å; H431-R434 VanDerWaalsContact CG-CZ 3.5Å; H431-R434 PolarHBondContact ND1-NE 2.61Å; H431-R434 VanDerWaalsContact ND1-NE 3.16Å; H431-R434 PolarHBondContact NE2-NH2 3.27Å; H431-R434 WeakPolarHBondContact O-CB 3.07Å; H431-R434 WeakPolarHBondContact O-CG 3.35Å; H431-R434 PolarHBondContact O-N 3.27Å; H431-R434 VanDerWaalsContact O-N 3.16Å; R434-L436 VanDerWaalsContact C-N 3.34Å; R434-L436 PolarHBondContact O-N 3.35Å; R434-E455 WeakPolarHBondContact CG-OE1 3.37Å |
| 435 | N | 71.8 | Confident | 72.1 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 24 | 176.7 | -51.5 | -40 | 0 | 0 | 0 | 115.4 | N437 S438 S439 | N435-N437 PolarHBondContact O-N 3.34Å; N435-N437 VanDerWaalsContact O-N 3.09Å; N435-S438 WeakPolarHBondContact CB-OG 3.43Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 PolarHBondContact O-OG 3.22Å; N435-S439 PolarHBondContact O-N 3.01Å |
| 436 | L | 80.9 | Confident | 74 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -49.7 | -38.5 | 176 | -170.2 | 73.4 | 0 | 0 | 0 | 112 | I389 R434 S438 S439 V440 L454 I457 F527 | I389-L436 HydrophobicContact CG1-CD1 4.41Å; I389-L436 HydrophobicContact CG2-CD2 4.44Å; R434-L436 VanDerWaalsContact C-N 3.34Å; R434-L436 PolarHBondContact O-N 3.35Å; L436-S438 VanDerWaalsContact C-N 3.28Å; L436-S438 PolarHBondContact O-N 3.32Å; L436-S439 CarbonylContact O-C 3.46Å; L436-S439 PolarHBondContact O-N 3.49Å; L436-V440 HydrophobicContact CD1-CG2 3.61Å; L436-V440 HydrophobicContact CG-CG2 3.96Å; L436-V440 WeakPolarHBondContact O-CB 3.2Å; L436-V440 PolarHBondContact O-N 2.73Å; L436-L454 VanDerWaalsContact CB-O 3.25Å; L436-L454 WeakPolarHBondContact CB-O 3.39Å; L436-I457 HydrophobicContact CD2-CD1 3.93Å; L436-I457 HydrophobicContact CD2-CG1 3.81Å; L436-F527 HydrophobicContact CD1-CD1 3.54Å; L436-F527 HydrophobicContact CD1-CD2 4.08Å; L436-F527 HydrophobicContact CD1-CE1 3.65Å; L436-F527 HydrophobicContact CD1-CE2 4.19Å; L436-F527 HydrophobicContact CD1-CG 3.76Å; L436-F527 HydrophobicContact CD1-CZ 3.98Å |
| 437 | N | 81.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -28.9 | 178.7 | 71.2 | -65.7 | 0 | 0 | 0 | 114.9 | N435 L451 P452 | N435-N437 PolarHBondContact O-N 3.34Å; N435-N437 VanDerWaalsContact O-N 3.09Å; N437-L451 HydrophobicContact CB-CB 3.86Å; N437-P452 WeakPolarHBondContact CB-O 3.35Å |
| 438 | S | 80.8 | Confident | 77.8 | Confident | 71 Ų | 71 | 71 Ų | 71 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -87 | -20.9 | 174.7 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | N435 L436 | N435-S438 WeakPolarHBondContact CB-OG 3.43Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 PolarHBondContact O-OG 3.22Å; L436-S438 VanDerWaalsContact C-N 3.28Å; L436-S438 PolarHBondContact O-N 3.32Å |
| 439 | S | 83.7 | Confident | 79.9 | Confident | 15 Ų | 15 | 71 Ų | 71 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -97.7 | -16.1 | -173.4 | -81.8 | 0 | 0 | 0 | 0 | 114 | N435 L436 I522 K523 N524 F527 | N435-S439 PolarHBondContact O-N 3.01Å; L436-S439 CarbonylContact O-C 3.46Å; L436-S439 PolarHBondContact O-N 3.49Å; S439-I522 CarbonylContact O-C 3.56Å; S439-I522 WeakPolarHBondContact O-CA 3.49Å; S439-K523 PolarHBondContact O-N 3.15Å; S439-N524 WeakPolarHBondContact CB-O 3.08Å; S439-N524 PolarHBondContact OG-O 2.86Å; S439-F527 VanDerWaalsContact CB-CE2 3.48Å |
| 440 | V | 86.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.8 | -173.8 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | I389 L436 I457 M520 K521 I522 | I389-V440 HydrophobicContact CD1-CG2 4.43Å; L436-V440 HydrophobicContact CD1-CG2 3.61Å; L436-V440 HydrophobicContact CG-CG2 3.96Å; L436-V440 WeakPolarHBondContact O-CB 3.2Å; L436-V440 PolarHBondContact O-N 2.73Å; V440-I457 HydrophobicContact CG1-CD1 4.32Å; V440-M520 HydrophobicContact CG1-CE 3.84Å; V440-K521 CarbonylContact C-O 3.53Å; V440-K521 WeakPolarHBondContact CA-O 3.35Å; V440-I522 HydrophobicContact CG2-CG1 4.41Å |
| 441 | E | 92 | Very high | 83.8 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.3 | 161.4 | -54.1 | -173 | 150.3 | 0 | 0 | 108.7 | L448 M520 K521 K523 | E441-L448 HydrophobicContact CB-CD1 4.11Å; E441-M520 WeakPolarHBondContact O-CA 3.39Å; E441-K521 HydrophobicContact CB-CB 4.24Å; E441-K521 PolarHBondContact N-O 3.22Å; E441-K521 PolarHBondContact O-N 3.28Å; E441-K523 HydrophobicContact CG-CD 4.24Å; E441-K523 HydrophobicContact CG-CG 4.24Å; E441-K523 WeakPolarHBondContact OE1-CE 3.38Å; E441-K523 IonicContact OE1-NZ 3.08Å; E441-K523 PolarHBondContact OE1-NZ 2.85Å |
| 442 | L | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128 | 173.7 | 179 | 66.9 | 0 | 0 | 0 | 109.4 | L444 I449 L451 I457 V490 I512 V518 M520 | L442-L444 HydrophobicContact CD1-CD2 4.22Å; L442-L444 HydrophobicContact CD2-CD2 4.47Å; L442-L444 HydrophobicContact CG-CD2 4.31Å; L442-I449 PolarHBondContact O-N 2.85Å; L442-L451 HydrophobicContact CB-CD1 4.03Å; L442-L451 HydrophobicContact CB-CD2 4.32Å; L442-L451 HydrophobicContact CB-CG 4.4Å; L442-L451 HydrophobicContact CD2-CD2 3.76Å; L442-I457 HydrophobicContact CD2-CG2 4.5Å; L442-V490 HydrophobicContact CD2-CG1 4.33Å; L442-I512 HydrophobicContact CD2-CD1 4.05Å; L442-I512 HydrophobicContact CD2-CG2 3.89Å; L442-V518 HydrophobicContact CD1-CG1 3.67Å; L442-M520 HydrophobicContact CD1-CG 3.61Å; L442-M520 HydrophobicContact CD1-SD 4.21Å |
| 443 | R | 95.6 | Very high | 86.5 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.3 | 169.8 | -67.2 | 175.1 | 174.9 | -109.5 | 4.5 | 110.1 | G446 R447 L448 V518 T519 | R443-G446 PolarHBondContact NH1-O 2.99Å; R443-R447 CarbonylContact C-O 3.2Å; R443-R447 WeakPolarHBondContact CA-O 3.46Å; R443-L448 HydrophobicContact CG-CB 4.47Å; R443-L448 HydrophobicContact CG-CD1 4.17Å; R443-V518 WeakPolarHBondContact O-CA 3.38Å; R443-T519 PolarHBondContact N-O 3.02Å; R443-T519 PolarHBondContact O-N 3.41Å |
| 444 | L | 95.5 | Very high | 87.8 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.5 | 172.7 | -62 | -172.6 | 0 | 0 | 0 | 107.8 | L442 G446 R447 I449 V490 I512 A515 V518 | L442-L444 HydrophobicContact CD1-CD2 4.22Å; L442-L444 HydrophobicContact CD2-CD2 4.47Å; L442-L444 HydrophobicContact CG-CD2 4.31Å; L444-G446 PolarHBondContact O-N 3.46Å; L444-R447 PolarHBondContact N-O 2.82Å; L444-R447 WeakPolarHBondContact O-CB 3.2Å; L444-R447 PolarHBondContact O-N 2.94Å; L444-I449 HydrophobicContact CB-CD1 4.37Å; L444-I449 HydrophobicContact CB-CG1 4.18Å; L444-I449 HydrophobicContact CD1-CD1 4.32Å; L444-I449 HydrophobicContact CD1-CG1 3.98Å; L444-I449 HydrophobicContact CG-CD1 4.37Å; L444-I449 HydrophobicContact CG-CG1 3.77Å; L444-V490 HydrophobicContact CD2-CB 4.4Å; L444-V490 HydrophobicContact CD2-CG2 3.85Å; L444-I512 HydrophobicContact CD1-CG2 3.88Å; L444-A515 HydrophobicContact CB-CB 3.84Å; L444-A515 HydrophobicContact CD2-CB 3.86Å; L444-A515 HydrophobicContact CG-CB 4.28Å; L444-V518 HydrophobicContact CD2-CB 4.4Å; L444-V518 HydrophobicContact CD2-CG1 3.99Å; L444-V518 HydrophobicContact CD2-CG2 3.79Å |
| 445 | D | 95.3 | Very high | 88.7 | Confident | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.5 | -174.8 | -59.2 | -35.8 | 0 | 0 | 0 | 112.2 | R447 A515 K516 E517 | D445-R447 PolarHBondContact O-N 3.23Å; D445-R447 VanDerWaalsContact O-N 3.14Å; D445-A515 WeakPolarHBondContact OD2-CA 3.46Å; D445-K516 WeakPolarHBondContact OD1-CA 3.5Å; D445-K516 PolarHBondContact OD1-N 2.9Å; D445-K516 PolarHBondContact OD2-N 3.32Å; D445-E517 PolarHBondContact N-O 3.16Å; D445-E517 PolarHBondContact OD1-N 2.8Å |
| 446 | G | 92.5 | Very high | 89.6 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -16.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R443 L444 | R443-G446 PolarHBondContact NH1-O 2.99Å; L444-G446 PolarHBondContact O-N 3.46Å |
| 447 | R | 94.5 | Very high | 90.1 | Very high | 192 Ų | 192 | 57.1 Ų | 57.1 | 73% | 0.725 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.9 | -179.5 | -172.3 | 179.9 | -179.7 | 179 | 0.6 | 111.3 | R443 L444 D445 | R443-R447 CarbonylContact C-O 3.2Å; R443-R447 WeakPolarHBondContact CA-O 3.46Å; L444-R447 PolarHBondContact N-O 2.82Å; L444-R447 WeakPolarHBondContact O-CB 3.2Å; L444-R447 PolarHBondContact O-N 2.94Å; D445-R447 PolarHBondContact O-N 3.23Å; D445-R447 VanDerWaalsContact O-N 3.14Å |
| 448 | L | 94.2 | Very high | 90.7 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131.1 | 175 | -174.8 | 68.7 | 0 | 0 | 0 | 110.7 | E441 R443 | E441-L448 HydrophobicContact CB-CD1 4.11Å; R443-L448 HydrophobicContact CG-CB 4.47Å; R443-L448 HydrophobicContact CG-CD1 4.17Å |
| 449 | I | 94 | Very high | 91.3 | Very high | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.3 | 178.8 | -54.6 | -57 | 0 | 0 | 0 | 110.3 | L442 L444 L451 I512 | L442-I449 PolarHBondContact O-N 2.85Å; L444-I449 HydrophobicContact CB-CD1 4.37Å; L444-I449 HydrophobicContact CB-CG1 4.18Å; L444-I449 HydrophobicContact CD1-CD1 4.32Å; L444-I449 HydrophobicContact CD1-CG1 3.98Å; L444-I449 HydrophobicContact CG-CD1 4.37Å; L444-I449 HydrophobicContact CG-CG1 3.77Å; I449-L451 HydrophobicContact CG2-CD2 4.48Å; I449-I512 HydrophobicContact CG2-CG2 3.78Å |
| 450 | E | 91 | Very high | 91.8 | Very high | 182 Ų | 182 | 51.3 Ų | 51.3 | 85% | 0.85 | 25% | 0.246 | S | C | * | . | trans | -80.4 | 117.8 | 171.7 | -169 | 175.6 | -177.5 | 0 | 0 | 109.6 | ||||
| 451 | L | 89.8 | Confident | 92.1 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | trans | -93.8 | 131.8 | -175.2 | -65.7 | 169.8 | 0 | 0 | 0 | 111.1 | N437 L442 I449 L454 I457 I512 | N437-L451 HydrophobicContact CB-CB 3.86Å; L442-L451 HydrophobicContact CB-CD1 4.03Å; L442-L451 HydrophobicContact CB-CD2 4.32Å; L442-L451 HydrophobicContact CB-CG 4.4Å; L442-L451 HydrophobicContact CD2-CD2 3.76Å; I449-L451 HydrophobicContact CG2-CD2 4.48Å; L451-L454 HydrophobicContact CD2-CD1 4.15Å; L451-I457 HydrophobicContact CD1-CD1 3.79Å; L451-I457 HydrophobicContact CD2-CD1 4.32Å; L451-I512 HydrophobicContact CD2-CD1 3.95Å | ||
| 452 | P | 88 | Confident | 92.1 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | trans | -69.2 | 176.7 | 166.7 | 31.2 | -33 | 0 | 0 | 0 | 110.2 | N437 L454 Y510 | N437-P452 WeakPolarHBondContact CB-O 3.35Å; P452-L454 HydrophobicContact CG-CD1 4.12Å; P452-L454 HydrophobicContact CG-CD2 4.07Å; P452-L454 HydrophobicContact CG-CG 3.88Å; P452-L454 WeakPolarHBondContact O-CG 3.35Å; P452-L454 PolarHBondContact O-N 3.28Å; P452-Y510 VanDerWaalsContact CD-CE1 3.44Å; P452-Y510 HydrophobicContact CG-CD1 3.73Å; P452-Y510 HydrophobicContact CG-CD2 4.17Å; P452-Y510 HydrophobicContact CG-CE1 3.42Å; P452-Y510 VanDerWaalsContact CG-CE1 3.42Å; P452-Y510 HydrophobicContact CG-CE2 3.9Å; P452-Y510 HydrophobicContact CG-CG 4.1Å | ||
| 453 | K | 87.1 | Confident | 91.9 | Very high | 169 Ų | 169 | 49.2 Ų | 49.2 | 74% | 0.735 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -66.4 | 72.8 | 179.9 | -65.5 | -178.1 | -180 | 179 | 0 | 112.9 | Y494 | K453-Y494 WeakPolarHBondContact O-CD1 3.26Š|
| 454 | L | 88.1 | Confident | 91.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -89.2 | 155.3 | 178.7 | -61 | 171.2 | 0 | 0 | 0 | 110.9 | L436 L451 P452 I457 Y494 Y510 I512 | L436-L454 VanDerWaalsContact CB-O 3.25Å; L436-L454 WeakPolarHBondContact CB-O 3.39Å; L451-L454 HydrophobicContact CD2-CD1 4.15Å; P452-L454 HydrophobicContact CG-CD1 4.12Å; P452-L454 HydrophobicContact CG-CD2 4.07Å; P452-L454 HydrophobicContact CG-CG 3.88Å; P452-L454 WeakPolarHBondContact O-CG 3.35Å; P452-L454 PolarHBondContact O-N 3.28Å; L454-I457 HydrophobicContact CD1-CG1 4.39Å; L454-Y494 HydrophobicContact CD2-CD1 3.83Å; L454-Y494 HydrophobicContact CD2-CE1 3.66Å; L454-Y494 HydrophobicContact CD2-CG 4.42Å; L454-Y510 HydrophobicContact CD1-CD1 4.21Å; L454-Y510 HydrophobicContact CD2-CD1 4.32Å; L454-Y510 HydrophobicContact CD2-CG 4.41Å; L454-I512 HydrophobicContact CD1-CD1 4.12Å | ||
| 455 | E | 86.6 | Confident | 91.2 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -113.5 | -12.8 | 171.7 | -71.3 | -171.6 | 176.8 | 0 | 0 | 112.5 | G390 V391 H431 C433 R434 V493 Y494 S495 | G390-E455 CarbonylContact C-O 3.46Å; G390-E455 VanDerWaalsContact CA-O 3.31Å; G390-E455 WeakPolarHBondContact CA-O 3.44Å; V391-E455 HydrophobicContact CB-CB 4.3Å; V391-E455 HydrophobicContact CG1-CB 3.93Å; V391-E455 PolarHBondContact N-O 2.92Å; H431-E455 IonicContact CE1-OE1 3.13Å; H431-E455 IonicContact ND1-OE1 2.64Å; H431-E455 PolarHBondContact ND1-OE1 3.25Å; C433-E455 HydrophobicContact CB-CB 4.46Å; C433-E455 WeakPolarHBondContact CB-O 3.41Å; R434-E455 WeakPolarHBondContact CG-OE1 3.37Å; E455-V493 PolarHBondContact N-O 2.8Å; E455-Y494 VanDerWaalsContact CD-O 3.31Å; E455-Y494 WeakPolarHBondContact CG-O 3.36Å; E455-S495 WeakPolarHBondContact OE2-CA 3.44Å |
| 456 | A | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I389 V391 D392 G492 V493 | I389-A456 CarbonylContact O-C 3.59Å; I389-A456 WeakPolarHBondContact O-CA 2.94Å; I389-A456 WeakPolarHBondContact O-CB 3.36Å; V391-A456 HydrophobicContact CG1-CB 3.73Å; D392-A456 HydrophobicContact CB-CB 4.22Å; A456-G492 WeakPolarHBondContact O-CA 2.76Å; A456-V493 HydrophobicContact CB-CG2 3.31Å; A456-V493 PolarHBondContact N-O 3.45Å; A456-V493 VanDerWaalsContact N-O 3.12Å; A456-V493 PolarHBondContact O-N 2.85Å |
| 457 | I | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.1 | 170.4 | -61.3 | 161.9 | 0 | 0 | 0 | 106.9 | S388 I389 L436 V440 L442 L451 L454 L459 V490 F491 I512 M520 | S388-I457 WeakPolarHBondContact CA-O 3.39Å; I389-I457 HydrophobicContact CG2-CB 3.82Å; I389-I457 PolarHBondContact N-O 2.98Å; I389-I457 PolarHBondContact O-N 3.34Å; L436-I457 HydrophobicContact CD2-CD1 3.93Å; L436-I457 HydrophobicContact CD2-CG1 3.81Å; V440-I457 HydrophobicContact CG1-CD1 4.32Å; L442-I457 HydrophobicContact CD2-CG2 4.5Å; L451-I457 HydrophobicContact CD1-CD1 3.79Å; L451-I457 HydrophobicContact CD2-CD1 4.32Å; L454-I457 HydrophobicContact CD1-CG1 4.39Å; I457-L459 HydrophobicContact CG2-CD1 4.25Å; I457-V490 HydrophobicContact CG2-CG1 3.89Å; I457-F491 WeakPolarHBondContact CA-O 3.38Å; I457-I512 HydrophobicContact CG1-CD1 4.45Å; I457-I512 HydrophobicContact CG2-CD1 4.23Å; I457-M520 HydrophobicContact CB-CE 4.32Å; I457-M520 HydrophobicContact CD1-CE 3.96Å; I457-M520 HydrophobicContact CG2-CE 4.33Å |
| 458 | V | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.1 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | L387 D392 L460 V490 F491 | L387-V458 WeakPolarHBondContact O-CA 3.32Å; D392-V458 HydrophobicContact CB-CG2 4.49Å; V458-L460 HydrophobicContact CG1-CD2 3.78Å; V458-L460 HydrophobicContact CG1-CG 4.36Å; V458-V490 WeakPolarHBondContact O-CA 3.37Å; V458-F491 HydrophobicContact CB-CD1 3.91Å; V458-F491 HydrophobicContact CB-CE1 3.4Å; V458-F491 HydrophobicContact CB-CE2 4.14Å; V458-F491 HydrophobicContact CB-CG 4.46Å; V458-F491 HydrophobicContact CB-CZ 3.54Å; V458-F491 HydrophobicContact CG1-CD1 4.31Å; V458-F491 HydrophobicContact CG1-CE1 3.47Å; V458-F491 VanDerWaalsContact CG1-CE1 3.47Å; V458-F491 HydrophobicContact CG1-CZ 3.76Å; V458-F491 HydrophobicContact CG2-CE1 4.12Å; V458-F491 HydrophobicContact CG2-CE2 4.03Å; V458-F491 HydrophobicContact CG2-CZ 3.7Å; V458-F491 PolarHBondContact N-O 2.91Å; V458-F491 PolarHBondContact O-N 3.43Å |
| 459 | L | 93.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.8 | 172.4 | -67.9 | 70.4 | 0 | 0 | 0 | 107.3 | Y386 L387 I457 F488 V490 V518 M520 | Y386-L459 CarbonylContact C-O 3.52Å; Y386-L459 WeakPolarHBondContact CA-O 3.46Å; Y386-L459 WeakPolarHBondContact CB-O 3.36Å; L387-L459 HydrophobicContact CD2-CD1 4.01Å; L387-L459 PolarHBondContact N-O 3.38Å; L387-L459 PolarHBondContact O-N 3.46Å; I457-L459 HydrophobicContact CG2-CD1 4.25Å; L459-F488 HydrophobicContact CB-CD1 4.3Å; L459-V490 HydrophobicContact CG-CG2 4.31Å; L459-V518 HydrophobicContact CD2-CB 3.77Å; L459-V518 HydrophobicContact CD2-CG1 3.73Å; L459-V518 HydrophobicContact CD2-CG2 3.94Å; L459-V518 HydrophobicContact CG-CG1 4.36Å; L459-M520 HydrophobicContact CD1-SD 3.99Å |
| 460 | L | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.2 | 177.4 | -58.5 | 178.9 | 0 | 0 | 0 | 110.1 | Y386 V458 W465 P471 F488 E489 F491 | Y386-L460 HydrophobicContact CD1-CD2 4.43Å; Y386-L460 HydrophobicContact CG-CD2 4.21Å; V458-L460 HydrophobicContact CG1-CD2 3.78Å; V458-L460 HydrophobicContact CG1-CG 4.36Å; L460-W465 HydrophobicContact CD2-CB 3.67Å; L460-W465 HydrophobicContact CD2-CG 4.16Å; L460-P471 HydrophobicContact CD1-CB 4.31Å; L460-P471 HydrophobicContact CD1-CG 3.98Å; L460-F488 WeakPolarHBondContact O-CA 3.46Å; L460-E489 HydrophobicContact CB-CB 4.16Å; L460-E489 PolarHBondContact N-O 2.66Å; L460-E489 PolarHBondContact O-N 3.42Å; L460-F491 HydrophobicContact CD1-CD1 3.9Å; L460-F491 HydrophobicContact CD1-CE1 3.61Å; L460-F491 HydrophobicContact CD2-CE1 3.9Å; L460-F491 HydrophobicContact CG-CD1 4.06Å; L460-F491 HydrophobicContact CG-CE1 3.69Å |
| 461 | N | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -104 | -20.1 | 161.6 | -176.5 | 56.2 | 0 | 0 | 0 | 111.5 | D360 W362 M383 N384 N385 M483 | D360-N461 PolarHBondContact O-ND2 3.31Å; W362-N461 VanDerWaalsContact NE1-CG 3.3Å; W362-N461 PolarHBondContact NE1-OD1 3.17Å; M383-N461 HydrophobicContact CE-CB 4.05Å; N384-N461 PolarHBondContact O-ND2 3.17Å; N385-N461 WeakPolarHBondContact O-CA 3.48Å; N385-N461 VanDerWaalsContact O-CB 3.3Å; N385-N461 WeakPolarHBondContact O-CB 3.47Å; N385-N461 PolarHBondContact O-N 3.1Å; N461-M483 WeakPolarHBondContact O-CA 3.49Å; N461-M483 VanDerWaalsContact O-CB 3.26Å; N461-M483 WeakPolarHBondContact O-CB 3.27Å |
| 462 | I | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -120.7 | 150.7 | 179 | 64.5 | 164.9 | 0 | 0 | 0 | 110.3 | D327 L328 V331 L359 N385 Y386 C464 M483 | D327-I462 HydrophobicContact CB-CD1 3.94Å; L328-I462 HydrophobicContact CB-CD1 4.29Å; L328-I462 HydrophobicContact CD1-CG2 4Å; V331-I462 HydrophobicContact CG2-CB 4.14Å; V331-I462 HydrophobicContact CG2-CD1 4.37Å; L359-I462 HydrophobicContact CD1-CG2 4.07Å; N385-I462 HydrophobicContact CB-CD1 3.75Å; N385-I462 HydrophobicContact CB-CG1 4.03Å; N385-I462 PolarHBondContact O-N 3.42Å; Y386-I462 HydrophobicContact CD1-CG1 4.43Å; I462-C464 WeakPolarHBondContact CG1-O 3.33Å; I462-C464 PolarHBondContact O-N 2.92Å; I462-M483 HydrophobicContact CG2-CB 4.23Å |
| 463 | A | 90.7 | Very high | 88 | Confident | 14 Ų | 14 | 25.1 Ų | 25.1 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -56.8 | -22.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V331 R470 | V331-A463 HydrophobicContact CG1-CB 4.33Å; V331-A463 HydrophobicContact CG2-CB 3.85Å; A463-R470 WeakPolarHBondContact O-CA 3.33Å |
| 464 | C | 88.8 | Confident | 88 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | trans | -108.7 | 139.1 | -174.3 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | D327 V331 I462 V469 | D327-C464 HydrophobicContact CB-CB 3.86Å; V331-C464 HydrophobicContact CG2-CB 3.68Å; I462-C464 WeakPolarHBondContact CG1-O 3.33Å; I462-C464 PolarHBondContact O-N 2.92Å; C464-V469 CarbonylContact C-O 3.56Å; C464-V469 VanDerWaalsContact CA-O 3.26Å; C464-V469 WeakPolarHBondContact CA-O 3.34Å | ||
| 465 | W | 88 | Confident | 87.8 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -142.9 | 155.5 | 173.4 | 164.6 | 87.9 | 0 | 0 | 0 | 110.3 | Y386 D392 L460 A467 G468 V469 P471 F491 I499 M502 | Y386-W465 HydrophobicContact CD1-CB 4.47Å; Y386-W465 AromaticContact CD2-CD1 3.76Å; Y386-W465 AromaticContact CE2-CD1 3.78Å; D392-W465 HydrophobicContact CB-CZ2 4.32Å; D392-W465 WeakPolarHBondContact OD1-CZ2 3.48Å; D392-W465 PolarHBondContact OD1-NE1 3.19Å; D392-W465 PolarHBondContact OD2-NE1 3.31Å; L460-W465 HydrophobicContact CD2-CB 3.67Å; L460-W465 HydrophobicContact CD2-CG 4.16Å; W465-A467 PolarHBondContact O-N 3.49Å; W465-G468 PolarHBondContact O-N 3.18Å; W465-V469 HydrophobicContact CE3-CB 4.15Å; W465-V469 HydrophobicContact CE3-CG1 4.43Å; W465-V469 PolarHBondContact N-O 3.3Å; W465-V469 WeakPolarHBondContact O-CA 3.31Å; W465-V469 WeakPolarHBondContact O-CB 3.19Å; W465-V469 PolarHBondContact O-N 3.18Å; W465-P471 HydrophobicContact CB-CG 4.32Å; W465-P471 HydrophobicContact CE3-CG 4.11Å; W465-F491 AromaticContact CD2-CZ 3.86Å; W465-F491 HydrophobicContact CD2-CZ 3.86Å; W465-F491 HydrophobicContact CE3-CZ 4.02Å; W465-F491 HydrophobicContact CG-CZ 4.26Å; W465-F491 HydrophobicContact CH2-CZ 4.47Å; W465-F491 HydrophobicContact CZ2-CZ 4.36Å; W465-F491 HydrophobicContact CZ3-CZ 4.33Å; W465-I499 HydrophobicContact CH2-CB 4.09Å; W465-I499 HydrophobicContact CH2-CD1 4.25Å; W465-I499 HydrophobicContact CH2-CG1 3.85Å; W465-I499 HydrophobicContact CH2-CG2 3.55Å; W465-I499 HydrophobicContact CZ2-CD1 4.26Å; W465-I499 HydrophobicContact CZ2-CG1 4.35Å; W465-I499 HydrophobicContact CZ2-CG2 4.25Å; W465-I499 HydrophobicContact CZ3-CG2 4.29Å; W465-M502 HydrophobicContact CZ3-CE 4.03Å |
| 466 | G | 74.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 30 Ų | 30 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 47.4 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q503 | G466-Q503 PolarHBondContact O-NE2 3.3Š|
| 467 | A | 72.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 43% | 0.43 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 28.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R330 W465 | R330-A467 PolarHBondContact NH2-O 2.93Å; W465-A467 PolarHBondContact O-N 3.49Å |
| 468 | G | 79.2 | Confident | 86.9 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | 5.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D327 W465 | D327-G468 WeakPolarHBondContact OD1-CA 3.28Å; D327-G468 PolarHBondContact OD1-N 2.56Å; W465-G468 PolarHBondContact O-N 3.18Å |
| 469 | V | 84.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -60.4 | 142.6 | 171.8 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | C464 W465 P471 L474 M502 Q503 | C464-V469 CarbonylContact C-O 3.56Å; C464-V469 VanDerWaalsContact CA-O 3.26Å; C464-V469 WeakPolarHBondContact CA-O 3.34Å; W465-V469 HydrophobicContact CE3-CB 4.15Å; W465-V469 HydrophobicContact CE3-CG1 4.43Å; W465-V469 PolarHBondContact N-O 3.3Å; W465-V469 WeakPolarHBondContact O-CA 3.31Å; W465-V469 WeakPolarHBondContact O-CB 3.19Å; W465-V469 PolarHBondContact O-N 3.18Å; V469-P471 HydrophobicContact CG1-CG 4.32Å; V469-P471 WeakPolarHBondContact O-CD 3.45Å; V469-L474 HydrophobicContact CG1-CD1 3.87Å; V469-M502 HydrophobicContact CG1-CB 4.42Å; V469-Q503 HydrophobicContact CG2-CB 4.11Å; V469-Q503 HydrophobicContact CG2-CG 3.53Å |
| 470 | R | 90.5 | Very high | 86.2 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | trans | -116.2 | 81.1 | 177.4 | -64.4 | -171.9 | 169.1 | -155.7 | -6.4 | 110.2 | A463 W472 Q473 L474 | A463-R470 WeakPolarHBondContact O-CA 3.33Å; R470-W472 VanDerWaalsContact C-N 3.26Å; R470-W472 PolarHBondContact O-N 2.9Å; R470-Q473 HydrophobicContact CB-CB 4.04Å; R470-Q473 HydrophobicContact CB-CG 4.24Å; R470-Q473 PolarHBondContact O-N 2.85Å; R470-L474 PolarHBondContact O-N 2.94Å | ||
| 471 | P | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -56.7 | -39.5 | -168.1 | -27.6 | 38.1 | 0 | 0 | 0 | 113.2 | L460 W465 V469 Q473 L474 F491 M502 P509 R511 | L460-P471 HydrophobicContact CD1-CB 4.31Å; L460-P471 HydrophobicContact CD1-CG 3.98Å; W465-P471 HydrophobicContact CB-CG 4.32Å; W465-P471 HydrophobicContact CE3-CG 4.11Å; V469-P471 HydrophobicContact CG1-CG 4.32Å; V469-P471 WeakPolarHBondContact O-CD 3.45Å; P471-Q473 PolarHBondContact O-N 2.8Å; P471-L474 PolarHBondContact O-N 2.97Å; P471-F491 HydrophobicContact CB-CD1 4.18Å; P471-F491 HydrophobicContact CB-CE1 4.06Å; P471-F491 HydrophobicContact CB-CE2 4.47Å; P471-F491 HydrophobicContact CB-CG 4.46Å; P471-F491 HydrophobicContact CB-CZ 4.21Å; P471-F491 HydrophobicContact CG-CD1 4.47Å; P471-F491 HydrophobicContact CG-CE1 3.85Å; P471-F491 HydrophobicContact CG-CE2 4.46Å; P471-F491 HydrophobicContact CG-CZ 3.85Å; P471-M502 HydrophobicContact CB-CE 4.08Å; P471-M502 HydrophobicContact CG-CE 4.22Å; P471-P509 HydrophobicContact CB-CB 4.26Å; P471-P509 HydrophobicContact CB-CG 3.85Å; P471-P509 WeakPolarHBondContact O-CD 3.41Å; P471-P509 WeakPolarHBondContact O-CG 3.37Å; P471-R511 PolarHBondContact O-NH2 2.91Å |
| 472 | W | 91.3 | Very high | 86 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -69.7 | -15.3 | 179.5 | -127.7 | -119 | 0 | 0 | 0 | 114.1 | R470 G477 G478 E489 F491 R511 G513 Q514 | R470-W472 VanDerWaalsContact C-N 3.26Å; R470-W472 PolarHBondContact O-N 2.9Å; W472-G477 CarbonylContact O-C 3.48Å; W472-G477 VanDerWaalsContact O-CA 3.27Å; W472-G477 WeakPolarHBondContact O-CA 3.3Å; W472-G478 PolarHBondContact O-N 2.95Å; W472-E489 HydrophobicContact CD2-CB 3.83Å; W472-E489 HydrophobicContact CD2-CG 3.49Å; W472-E489 VanDerWaalsContact CD2-CG 3.49Å; W472-E489 HydrophobicContact CE3-CB 3.65Å; W472-E489 HydrophobicContact CE3-CG 3.89Å; W472-E489 HydrophobicContact CG-CG 3.91Å; W472-E489 HydrophobicContact CH2-CB 3.8Å; W472-E489 HydrophobicContact CH2-CG 4.09Å; W472-E489 HydrophobicContact CZ2-CB 3.98Å; W472-E489 HydrophobicContact CZ2-CG 3.73Å; W472-E489 HydrophobicContact CZ3-CB 3.62Å; W472-E489 HydrophobicContact CZ3-CG 4.16Å; W472-F491 HydrophobicContact CZ3-CB 4.18Å; W472-R511 HydrophobicContact CE3-CG 4.24Å; W472-R511 HydrophobicContact CH2-CB 4.18Å; W472-R511 HydrophobicContact CH2-CG 4.36Å; W472-R511 HydrophobicContact CZ3-CB 4.26Å; W472-R511 HydrophobicContact CZ3-CG 4.04Å; W472-G513 WeakPolarHBondContact CH2-O 3.33Å; W472-Q514 HydrophobicContact CZ2-CG 3.96Å |
| 473 | Q | 89.2 | Confident | 86 | Confident | 111 Ų | 111 | 49.5 Ų | 49.5 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -101.9 | -6.4 | 178.9 | -60.8 | -175.2 | -10.8 | 0 | 0 | 113.5 | R470 P471 | R470-Q473 HydrophobicContact CB-CB 4.04Å; R470-Q473 HydrophobicContact CB-CG 4.24Å; R470-Q473 PolarHBondContact O-N 2.85Å; P471-Q473 PolarHBondContact O-N 2.8Å |
| 474 | L | 86.4 | Confident | 86.1 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.9 | 156.7 | 177.6 | -67.6 | 175.8 | 0 | 0 | 0 | 111.8 | V469 R470 P471 K476 G477 M502 E508 R511 | V469-L474 HydrophobicContact CG1-CD1 3.87Å; R470-L474 PolarHBondContact O-N 2.94Å; P471-L474 PolarHBondContact O-N 2.97Å; L474-K476 PolarHBondContact O-N 2.79Å; L474-G477 PolarHBondContact O-N 2.86Å; L474-M502 HydrophobicContact CD1-CB 4.21Å; L474-M502 HydrophobicContact CD1-CE 4.28Å; L474-M502 HydrophobicContact CD1-CG 4.41Å; L474-E508 HydrophobicContact CB-CB 4.31Å; L474-R511 PolarHBondContact O-NH2 2.87Å |
| 475 | G | 84 | Confident | 86.3 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -124.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G477 E508 | G475-G477 PolarHBondContact O-N 2.81Å; G475-E508 WeakPolarHBondContact CA-OE2 3.12Å |
| 476 | K | 81.7 | Confident | 86.6 | Confident | 194 Ų | 194 | 55.7 Ų | 55.7 | 84% | 0.843 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.3 | -179.6 | -66.6 | -175.5 | -177.5 | 177.5 | 0 | 114.7 | L474 E508 | L474-K476 PolarHBondContact O-N 2.79Å; K476-E508 PolarHBondContact N-OE2 3.46Å |
| 477 | G | 83.8 | Confident | 87.5 | Confident | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | trans | 71 | 164 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113 | W472 L474 G475 | W472-G477 CarbonylContact O-C 3.48Å; W472-G477 VanDerWaalsContact O-CA 3.27Å; W472-G477 WeakPolarHBondContact O-CA 3.3Å; L474-G477 PolarHBondContact O-N 2.86Å; G475-G477 PolarHBondContact O-N 2.81Å | ||
| 478 | G | 83.6 | Confident | 88.3 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | trans | -108.4 | -174.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.7 | W472 | W472-G478 PolarHBondContact O-N 2.95Š| ||
| 479 | P | 87.7 | Confident | 89.1 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -54.8 | 169.1 | 166.5 | -23.4 | 34.1 | 0 | 0 | 0 | 112.6 | Q481 | P479-Q481 PolarHBondContact O-N 3.26Š|
| 480 | E | 85.9 | Confident | 89.6 | Confident | 181 Ų | 181 | 53.4 Ų | 53.4 | 85% | 0.846 | 30% | 0.3 | S | S | * | . | trans | -57.2 | 136.1 | 172.4 | -163.9 | 172.1 | -173.3 | 0 | 0 | 110 | Q514 | E480-Q514 PolarHBondContact O-NE2 3.07Å; E480-Q514 VanDerWaalsContact O-NE2 3.16Å | ||
| 481 | Q | 90.2 | Very high | 89.8 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | trans | -115.7 | 139.7 | 180 | 69.9 | -175.9 | 3.9 | 0 | 0 | 108.1 | P479 E489 | P479-Q481 PolarHBondContact O-N 3.26Å; Q481-E489 HydrophobicContact CB-CG 4.3Å | ||
| 482 | S | 91.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | trans | -137 | 157.2 | 170.5 | -163.3 | 0 | 0 | 0 | 0 | 110.6 | N484 D485 | S482-N484 VanDerWaalsContact C-N 3.32Å; S482-N484 PolarHBondContact OG-OD1 2.82Å; S482-D485 WeakPolarHBondContact CB-OD2 3.47Å; S482-D485 PolarHBondContact N-OD2 2.88Å | ||
| 483 | M | 91.8 | Very high | 89.7 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -95.8 | 11.6 | 176.2 | 66.7 | -175.2 | 173.6 | 0 | 0 | 112.9 | V331 L332 T357 L359 D360 N461 I462 | V331-M483 HydrophobicContact CG1-SD 3.84Å; L332-M483 HydrophobicContact CD2-CE 3.79Å; L332-M483 HydrophobicContact CD2-SD 4.44Å; T357-M483 HydrophobicContact CG2-CE 3.18Å; L359-M483 CarbonylContact C-O 3.57Å; L359-M483 WeakPolarHBondContact CA-O 3.48Å; L359-M483 HydrophobicContact CD1-CB 4.11Å; L359-M483 HydrophobicContact CD1-CG 4.3Å; L359-M483 HydrophobicContact CD1-SD 4.18Å; D360-M483 PolarHBondContact N-O 3.49Å; N461-M483 WeakPolarHBondContact O-CA 3.49Å; N461-M483 VanDerWaalsContact O-CB 3.26Å; N461-M483 WeakPolarHBondContact O-CB 3.27Å; I462-M483 HydrophobicContact CG2-CB 4.23Å |
| 484 | N | 92.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 48 Ų | 48 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -142.6 | 20.9 | -174.8 | 72.3 | -8 | 0 | 0 | 0 | 113.5 | F358 D360 S482 | F358-N484 HydrophobicContact CB-CB 3.78Å; D360-N484 WeakPolarHBondContact OD2-CA 3.45Å; D360-N484 PolarHBondContact OD2-N 2.93Å; S482-N484 VanDerWaalsContact C-N 3.32Å; S482-N484 PolarHBondContact OG-OD1 2.82Å |
| 485 | D | 93.6 | Very high | 89 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -102.6 | -3.2 | -179.1 | 58.8 | 11.1 | 0 | 0 | 0 | 113.1 | D360 S482 I487 | D360-D485 PolarHBondContact OD2-N 3.09Å; D360-D485 VanDerWaalsContact OD2-N 3.1Å; S482-D485 WeakPolarHBondContact CB-OD2 3.47Å; S482-D485 PolarHBondContact N-OD2 2.88Å; D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 HydrophobicContact CB-CD1 4.46Å; D485-I487 HydrophobicContact CB-CG1 4.48Å; D485-I487 WeakPolarHBondContact OD1-CB 3.34Å; D485-I487 PolarHBondContact OD1-N 2.74Å |
| 486 | G | 93.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 67.9 | 31.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D360 W362 K516 | D360-G486 WeakPolarHBondContact OD2-CA 3.36Å; D360-G486 PolarHBondContact OD2-N 2.78Å; W362-G486 WeakPolarHBondContact CH2-O 3.23Å; G486-K516 WeakPolarHBondContact O-CG 3.41Å |
| 487 | I | 93.9 | Very high | 87.9 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 21% | 0.205 | 23% | 0.228 | C | C | . | . | trans | -126.1 | 139.5 | -178.4 | -57.1 | 176.2 | 0 | 0 | 0 | 109.8 | D485 Q514 K516 | D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 HydrophobicContact CB-CD1 4.46Å; D485-I487 HydrophobicContact CB-CG1 4.48Å; D485-I487 WeakPolarHBondContact OD1-CB 3.34Å; D485-I487 PolarHBondContact OD1-N 2.74Å; I487-Q514 HydrophobicContact CG2-CB 3.61Å; I487-Q514 HydrophobicContact CG2-CG 3.8Å; I487-K516 HydrophobicContact CG1-CG 4.28Å | ||
| 488 | F | 90.6 | Very high | 87.6 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140.1 | 168.4 | -68.7 | -72.2 | 0 | 0 | 0 | 111.3 | W362 M383 L459 L460 V490 Q514 A515 V518 | W362-F488 HydrophobicContact CB-CE1 4.27Å; W362-F488 HydrophobicContact CB-CZ 3.87Å; W362-F488 AromaticContact CD1-CE1 3.7Å; W362-F488 AromaticContact CD1-CZ 3.96Å; W362-F488 HydrophobicContact CD2-CD1 4.48Å; W362-F488 AromaticContact CD2-CE1 3.54Å; W362-F488 HydrophobicContact CD2-CE1 3.54Å; W362-F488 AromaticContact CD2-CE2 3.59Å; W362-F488 HydrophobicContact CD2-CE2 3.59Å; W362-F488 AromaticContact CD2-CZ 3.03Å; W362-F488 HydrophobicContact CD2-CZ 3.03Å; W362-F488 AromaticContact CE2-CE1 3.57Å; W362-F488 AromaticContact CE2-CE2 3.89Å; W362-F488 AromaticContact CE2-CZ 3.48Å; W362-F488 VanDerWaalsContact CE2-CZ 3.48Å; W362-F488 HydrophobicContact CE3-CD2 4.32Å; W362-F488 HydrophobicContact CE3-CE1 4.15Å; W362-F488 AromaticContact CE3-CE2 3.29Å; W362-F488 HydrophobicContact CE3-CE2 3.29Å; W362-F488 AromaticContact CE3-CZ 3.2Å; W362-F488 HydrophobicContact CE3-CZ 3.2Å; W362-F488 AromaticContact CG-CE1 3.58Å; W362-F488 HydrophobicContact CG-CE1 3.58Å; W362-F488 HydrophobicContact CG-CE2 4.35Å; W362-F488 AromaticContact CG-CZ 3.36Å; W362-F488 HydrophobicContact CG-CZ 3.36Å; W362-F488 AromaticContact CH2-CD2 3.82Å; W362-F488 HydrophobicContact CH2-CD2 3.82Å; W362-F488 AromaticContact CH2-CE2 3.58Å; W362-F488 HydrophobicContact CH2-CE2 3.58Å; W362-F488 HydrophobicContact CH2-CG 4.48Å; W362-F488 HydrophobicContact CH2-CZ 4.06Å; W362-F488 HydrophobicContact CZ2-CD1 4.31Å; W362-F488 HydrophobicContact CZ2-CD2 4.06Å; W362-F488 HydrophobicContact CZ2-CE1 4.14Å; W362-F488 AromaticContact CZ2-CE2 3.9Å; W362-F488 HydrophobicContact CZ2-CE2 3.9Å; W362-F488 HydrophobicContact CZ2-CG 4.29Å; W362-F488 AromaticContact CZ2-CZ 3.97Å; W362-F488 HydrophobicContact CZ2-CZ 3.97Å; W362-F488 AromaticContact CZ3-CD2 3.98Å; W362-F488 HydrophobicContact CZ3-CD2 3.98Å; W362-F488 AromaticContact CZ3-CE2 3.28Å; W362-F488 HydrophobicContact CZ3-CE2 3.28Å; W362-F488 AromaticContact CZ3-CZ 3.72Å; W362-F488 HydrophobicContact CZ3-CZ 3.72Å; W362-F488 AromaticContact NE1-CE1 3.69Å; M383-F488 HydrophobicContact CE-CD1 4.31Å; M383-F488 HydrophobicContact CE-CE1 3.76Å; M383-F488 HydrophobicContact SD-CE1 4.32Å; L459-F488 HydrophobicContact CB-CD1 4.3Å; L460-F488 WeakPolarHBondContact O-CA 3.46Å; F488-V490 HydrophobicContact CB-CG2 4.21Å; F488-Q514 CarbonylContact O-C 3.53Å; F488-Q514 WeakPolarHBondContact O-CA 3.39Å; F488-A515 PolarHBondContact N-O 3.5Å; F488-A515 PolarHBondContact O-N 2.9Å; F488-A515 VanDerWaalsContact O-N 3.07Å; F488-V518 HydrophobicContact CB-CG2 4.4Å; F488-V518 HydrophobicContact CD2-CG2 3.8Å; F488-V518 HydrophobicContact CE2-CG2 4.38Å; F488-V518 HydrophobicContact CG-CG2 4.35Å |
| 489 | E | 94.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.2 | 159.2 | -71.8 | 72.5 | -143.7 | 0 | 0 | 110.6 | L460 W472 Q481 Q514 | L460-E489 HydrophobicContact CB-CB 4.16Å; L460-E489 PolarHBondContact N-O 2.66Å; L460-E489 PolarHBondContact O-N 3.42Å; W472-E489 HydrophobicContact CD2-CB 3.83Å; W472-E489 HydrophobicContact CD2-CG 3.49Å; W472-E489 VanDerWaalsContact CD2-CG 3.49Å; W472-E489 HydrophobicContact CE3-CB 3.65Å; W472-E489 HydrophobicContact CE3-CG 3.89Å; W472-E489 HydrophobicContact CG-CG 3.91Å; W472-E489 HydrophobicContact CH2-CB 3.8Å; W472-E489 HydrophobicContact CH2-CG 4.09Å; W472-E489 HydrophobicContact CZ2-CB 3.98Å; W472-E489 HydrophobicContact CZ2-CG 3.73Å; W472-E489 HydrophobicContact CZ3-CB 3.62Å; W472-E489 HydrophobicContact CZ3-CG 4.16Å; Q481-E489 HydrophobicContact CB-CG 4.3Å; E489-Q514 HydrophobicContact CG-CG 4.07Å; E489-Q514 PolarHBondContact OE1-NE2 3.14Å |
| 490 | V | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.7 | -178.4 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | L442 L444 I457 V458 L459 F488 I512 G513 V518 | L442-V490 HydrophobicContact CD2-CG1 4.33Å; L444-V490 HydrophobicContact CD2-CB 4.4Å; L444-V490 HydrophobicContact CD2-CG2 3.85Å; I457-V490 HydrophobicContact CG2-CG1 3.89Å; V458-V490 WeakPolarHBondContact O-CA 3.37Å; L459-V490 HydrophobicContact CG-CG2 4.31Å; F488-V490 HydrophobicContact CB-CG2 4.21Å; V490-I512 HydrophobicContact CB-CB 4.33Å; V490-I512 HydrophobicContact CG1-CB 4.23Å; V490-I512 HydrophobicContact CG1-CD1 4.08Å; V490-I512 WeakPolarHBondContact O-CA 3.45Å; V490-I512 WeakPolarHBondContact O-CB 3.45Å; V490-I512 PolarHBondContact O-N 3.15Å; V490-G513 PolarHBondContact N-O 3.33Å; V490-G513 PolarHBondContact O-N 2.89Å; V490-V518 HydrophobicContact CG2-CG2 4.11Å |
| 491 | F | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.1 | 175.3 | 76.3 | -84.5 | 0 | 0 | 0 | 113.2 | I457 V458 L460 W465 P471 W472 V493 M502 P509 Y510 | I457-F491 WeakPolarHBondContact CA-O 3.38Å; V458-F491 HydrophobicContact CB-CD1 3.91Å; V458-F491 HydrophobicContact CB-CE1 3.4Å; V458-F491 HydrophobicContact CB-CE2 4.14Å; V458-F491 HydrophobicContact CB-CG 4.46Å; V458-F491 HydrophobicContact CB-CZ 3.54Å; V458-F491 HydrophobicContact CG1-CD1 4.31Å; V458-F491 HydrophobicContact CG1-CE1 3.47Å; V458-F491 VanDerWaalsContact CG1-CE1 3.47Å; V458-F491 HydrophobicContact CG1-CZ 3.76Å; V458-F491 HydrophobicContact CG2-CE1 4.12Å; V458-F491 HydrophobicContact CG2-CE2 4.03Å; V458-F491 HydrophobicContact CG2-CZ 3.7Å; V458-F491 PolarHBondContact N-O 2.91Å; V458-F491 PolarHBondContact O-N 3.43Å; L460-F491 HydrophobicContact CD1-CD1 3.9Å; L460-F491 HydrophobicContact CD1-CE1 3.61Å; L460-F491 HydrophobicContact CD2-CE1 3.9Å; L460-F491 HydrophobicContact CG-CD1 4.06Å; L460-F491 HydrophobicContact CG-CE1 3.69Å; W465-F491 AromaticContact CD2-CZ 3.86Å; W465-F491 HydrophobicContact CD2-CZ 3.86Å; W465-F491 HydrophobicContact CE3-CZ 4.02Å; W465-F491 HydrophobicContact CG-CZ 4.26Å; W465-F491 HydrophobicContact CH2-CZ 4.47Å; W465-F491 HydrophobicContact CZ2-CZ 4.36Å; W465-F491 HydrophobicContact CZ3-CZ 4.33Å; P471-F491 HydrophobicContact CB-CD1 4.18Å; P471-F491 HydrophobicContact CB-CE1 4.06Å; P471-F491 HydrophobicContact CB-CE2 4.47Å; P471-F491 HydrophobicContact CB-CG 4.46Å; P471-F491 HydrophobicContact CB-CZ 4.21Å; P471-F491 HydrophobicContact CG-CD1 4.47Å; P471-F491 HydrophobicContact CG-CE1 3.85Å; P471-F491 HydrophobicContact CG-CE2 4.46Å; P471-F491 HydrophobicContact CG-CZ 3.85Å; W472-F491 HydrophobicContact CZ3-CB 4.18Å; F491-V493 HydrophobicContact CD2-CG1 3.99Å; F491-V493 HydrophobicContact CE2-CG1 3.57Å; F491-M502 HydrophobicContact CD2-CE 4.46Å; F491-M502 HydrophobicContact CE2-CE 3.96Å; F491-P509 HydrophobicContact CB-CB 3.99Å; F491-P509 HydrophobicContact CD2-CB 3.58Å; F491-P509 HydrophobicContact CE2-CB 4.33Å; F491-P509 HydrophobicContact CG-CB 4Å; F491-Y510 CarbonylContact C-O 3.55Å; F491-Y510 VanDerWaalsContact CA-O 3.25Å; F491-Y510 WeakPolarHBondContact CA-O 3.41Å; F491-Y510 WeakPolarHBondContact CB-O 3.47Å |
| 492 | G | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 150.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A456 Y510 | A456-G492 WeakPolarHBondContact O-CA 2.76Å; G492-Y510 PolarHBondContact N-O 3.2Å; G492-Y510 PolarHBondContact O-N 3.27Å |
| 493 | V | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.5 | 169.3 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | V391 E455 A456 F491 I499 M502 | V391-V493 HydrophobicContact CG1-CG2 4.01Å; E455-V493 PolarHBondContact N-O 2.8Å; A456-V493 HydrophobicContact CB-CG2 3.31Å; A456-V493 PolarHBondContact N-O 3.45Å; A456-V493 VanDerWaalsContact N-O 3.12Å; A456-V493 PolarHBondContact O-N 2.85Å; F491-V493 HydrophobicContact CD2-CG1 3.99Å; F491-V493 HydrophobicContact CE2-CG1 3.57Å; V493-I499 HydrophobicContact CB-CG1 4.29Å; V493-I499 HydrophobicContact CG1-CG1 4.3Å; V493-I499 HydrophobicContact CG2-CD1 4.3Å; V493-I499 HydrophobicContact CG2-CG1 4.17Å; V493-M502 HydrophobicContact CG1-SD 4.06Å |
| 494 | Y | 84.3 | Confident | 83.8 | Confident | 94 Ų | 94 | 34.2 Ų | 34.2 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -85 | -25.3 | -174.7 | -62.8 | -73.1 | 0 | 0 | 0 | 114.1 | K453 L454 E455 H498 Y510 | K453-Y494 WeakPolarHBondContact O-CD1 3.26Å; L454-Y494 HydrophobicContact CD2-CD1 3.83Å; L454-Y494 HydrophobicContact CD2-CE1 3.66Å; L454-Y494 HydrophobicContact CD2-CG 4.42Å; E455-Y494 VanDerWaalsContact CD-O 3.31Å; E455-Y494 WeakPolarHBondContact CG-O 3.36Å; Y494-H498 AromaticContact CD2-CE1 3.65Å; Y494-H498 AromaticContact CD2-ND1 3.82Å; Y494-H498 AromaticContact CD2-NE2 3.86Å; Y494-H498 PolarHBondContact N-ND1 3.11Å; Y494-Y510 WeakPolarHBondContact OH-CD2 3.18Å |
| 495 | S | 76.2 | Confident | 83 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | trans | -170.5 | 171.9 | -179.2 | 64.2 | 0 | 0 | 0 | 0 | 110.6 | E455 F497 H498 I499 | E455-S495 WeakPolarHBondContact OE2-CA 3.44Å; S495-F497 VanDerWaalsContact C-N 3.26Å; S495-F497 PolarHBondContact O-N 3.13Å; S495-F497 PolarHBondContact OG-N 2.84Å; S495-H498 WeakPolarHBondContact O-CB 3.33Å; S495-H498 PolarHBondContact O-N 3.09Å; S495-H498 PolarHBondContact OG-N 2.74Å; S495-H498 VanDerWaalsContact OG-N 3.13Å; S495-I499 PolarHBondContact O-N 2.92Å | ||
| 496 | S | 71 | Confident | 82.2 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -27.1 | 170.5 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | G424 V428 H498 I499 A500 | G424-S496 WeakPolarHBondContact O-CB 3.38Å; G424-S496 PolarHBondContact O-OG 2.95Å; V428-S496 WeakPolarHBondContact CG2-OG 3.48Å; V428-S496 PolarHBondContact N-OG 3.4Å; V428-S496 VanDerWaalsContact N-OG 3.16Å; S496-H498 VanDerWaalsContact C-N 3.34Å; S496-I499 WeakPolarHBondContact O-CB 3.32Å; S496-I499 PolarHBondContact O-N 3.4Å; S496-A500 PolarHBondContact O-N 3.03Å; S496-A500 VanDerWaalsContact O-N 3.14Å |
| 497 | F | 71.1 | Confident | 81.7 | Confident | 112 Ų | 112 | 37.7 Ų | 37.7 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 171.5 | -174.1 | -105 | 0 | 0 | 0 | 111.4 | V428 S495 I499 A500 Q501 | V428-F497 HydrophobicContact CG2-CB 4.13Å; S495-F497 VanDerWaalsContact C-N 3.26Å; S495-F497 PolarHBondContact O-N 3.13Å; S495-F497 PolarHBondContact OG-N 2.84Å; F497-I499 VanDerWaalsContact C-N 3.3Å; F497-I499 PolarHBondContact O-N 3.33Å; F497-A500 PolarHBondContact O-N 2.99Å; F497-Q501 HydrophobicContact CD1-CG 4.09Å; F497-Q501 HydrophobicContact CE1-CG 3.81Å; F497-Q501 VanDerWaalsContact CE1-NE2 3.3Å; F497-Q501 HydrophobicContact CZ-CG 4.19Å; F497-Q501 WeakPolarHBondContact O-CG 3.07Å; F497-Q501 PolarHBondContact O-N 2.84Å |
| 498 | H | 78.4 | Confident | 81.4 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 173.7 | -175.5 | -124.2 | 0 | 0 | 0 | 111.9 | Y494 S495 S496 A500 Q501 M502 S507 E508 | Y494-H498 AromaticContact CD2-CE1 3.65Å; Y494-H498 AromaticContact CD2-ND1 3.82Å; Y494-H498 AromaticContact CD2-NE2 3.86Å; Y494-H498 PolarHBondContact N-ND1 3.11Å; S495-H498 WeakPolarHBondContact O-CB 3.33Å; S495-H498 PolarHBondContact O-N 3.09Å; S495-H498 PolarHBondContact OG-N 2.74Å; S495-H498 VanDerWaalsContact OG-N 3.13Å; S496-H498 VanDerWaalsContact C-N 3.34Å; H498-A500 PolarHBondContact O-N 3.33Å; H498-Q501 PolarHBondContact O-N 2.97Å; H498-M502 WeakPolarHBondContact O-CG 3.5Å; H498-M502 PolarHBondContact O-N 2.92Å; H498-S507 PolarHBondContact CD2-OG 2.97Å; H498-S507 VanDerWaalsContact CD2-OG 3.31Å; H498-S507 PolarHBondContact NE2-OG 2.9Å; H498-E508 PolarHBondContact NE2-O 3.4Å; H498-E508 VanDerWaalsContact NE2-O 3.12Å |
| 499 | I | 78.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 172.5 | -61.3 | -179.1 | 0 | 0 | 0 | 110.7 | V391 D392 W465 V493 S495 S496 F497 Q501 M502 Q503 | V391-I499 HydrophobicContact CG1-CD1 4.22Å; D392-I499 HydrophobicContact CB-CD1 4.06Å; W465-I499 HydrophobicContact CH2-CB 4.09Å; W465-I499 HydrophobicContact CH2-CD1 4.25Å; W465-I499 HydrophobicContact CH2-CG1 3.85Å; W465-I499 HydrophobicContact CH2-CG2 3.55Å; W465-I499 HydrophobicContact CZ2-CD1 4.26Å; W465-I499 HydrophobicContact CZ2-CG1 4.35Å; W465-I499 HydrophobicContact CZ2-CG2 4.25Å; W465-I499 HydrophobicContact CZ3-CG2 4.29Å; V493-I499 HydrophobicContact CB-CG1 4.29Å; V493-I499 HydrophobicContact CG1-CG1 4.3Å; V493-I499 HydrophobicContact CG2-CD1 4.3Å; V493-I499 HydrophobicContact CG2-CG1 4.17Å; S495-I499 PolarHBondContact O-N 2.92Å; S496-I499 WeakPolarHBondContact O-CB 3.32Å; S496-I499 PolarHBondContact O-N 3.4Å; F497-I499 VanDerWaalsContact C-N 3.3Å; F497-I499 PolarHBondContact O-N 3.33Å; I499-Q501 PolarHBondContact O-N 2.84Å; I499-M502 PolarHBondContact O-N 3.21Å; I499-Q503 WeakPolarHBondContact O-CG 3.46Å; I499-Q503 PolarHBondContact O-N 3.47Å |
| 500 | A | 69.4 | Low | 81.3 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S496 F497 H498 M502 Q503 V504 | S496-A500 PolarHBondContact O-N 3.03Å; S496-A500 VanDerWaalsContact O-N 3.14Å; F497-A500 PolarHBondContact O-N 2.99Å; H498-A500 PolarHBondContact O-N 3.33Å; A500-M502 VanDerWaalsContact C-N 3.34Å; A500-M502 PolarHBondContact O-N 3.28Å; A500-Q503 WeakPolarHBondContact O-CB 3.26Å; A500-Q503 PolarHBondContact O-N 2.93Å; A500-V504 WeakPolarHBondContact O-CG2 3.17Å; A500-V504 PolarHBondContact O-N 3.31Å |
| 501 | Q | 75.5 | Confident | 81.2 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.1 | -69.5 | -179.1 | -51.6 | 0 | 0 | 112.2 | F497 H498 I499 Q503 V504 G505 L506 S507 | F497-Q501 HydrophobicContact CD1-CG 4.09Å; F497-Q501 HydrophobicContact CE1-CG 3.81Å; F497-Q501 VanDerWaalsContact CE1-NE2 3.3Å; F497-Q501 HydrophobicContact CZ-CG 4.19Å; F497-Q501 WeakPolarHBondContact O-CG 3.07Å; F497-Q501 PolarHBondContact O-N 2.84Å; H498-Q501 PolarHBondContact O-N 2.97Å; I499-Q501 PolarHBondContact O-N 2.84Å; Q501-Q503 VanDerWaalsContact C-N 3.32Å; Q501-Q503 PolarHBondContact O-N 3.18Å; Q501-V504 WeakPolarHBondContact O-CG2 3.47Å; Q501-V504 PolarHBondContact O-N 3.4Å; Q501-G505 PolarHBondContact O-N 2.99Å; Q501-G505 VanDerWaalsContact O-N 3.1Å; Q501-L506 HydrophobicContact CB-CB 4.35Å; Q501-L506 PolarHBondContact O-N 3.45Å; Q501-S507 PolarHBondContact O-N 3.19Å |
| 502 | M | 79.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 174.6 | -70.6 | 173.4 | 57.3 | 0 | 0 | 112.1 | W465 V469 P471 L474 F491 V493 H498 I499 A500 V504 G505 P509 | W465-M502 HydrophobicContact CZ3-CE 4.03Å; V469-M502 HydrophobicContact CG1-CB 4.42Å; P471-M502 HydrophobicContact CB-CE 4.08Å; P471-M502 HydrophobicContact CG-CE 4.22Å; L474-M502 HydrophobicContact CD1-CB 4.21Å; L474-M502 HydrophobicContact CD1-CE 4.28Å; L474-M502 HydrophobicContact CD1-CG 4.41Å; F491-M502 HydrophobicContact CD2-CE 4.46Å; F491-M502 HydrophobicContact CE2-CE 3.96Å; V493-M502 HydrophobicContact CG1-SD 4.06Å; H498-M502 WeakPolarHBondContact O-CG 3.5Å; H498-M502 PolarHBondContact O-N 2.92Å; I499-M502 PolarHBondContact O-N 3.21Å; A500-M502 VanDerWaalsContact C-N 3.34Å; A500-M502 PolarHBondContact O-N 3.28Å; M502-V504 VanDerWaalsContact C-N 3.31Å; M502-V504 PolarHBondContact O-N 3.2Å; M502-G505 PolarHBondContact O-N 3.32Å; M502-P509 HydrophobicContact CE-CB 3.68Å; M502-P509 HydrophobicContact CE-CG 4.2Å; M502-P509 HydrophobicContact SD-CB 4.21Å |
| 503 | Q | 75.4 | Confident | 81.3 | Confident | 72 Ų | 72 | 48 Ų | 48 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -32.7 | 177.5 | -76 | 176.5 | -28.8 | 0 | 0 | 113.8 | G466 V469 I499 A500 Q501 | G466-Q503 PolarHBondContact O-NE2 3.3Å; V469-Q503 HydrophobicContact CG2-CB 4.11Å; V469-Q503 HydrophobicContact CG2-CG 3.53Å; I499-Q503 WeakPolarHBondContact O-CG 3.46Å; I499-Q503 PolarHBondContact O-N 3.47Å; A500-Q503 WeakPolarHBondContact O-CB 3.26Å; A500-Q503 PolarHBondContact O-N 2.93Å; Q501-Q503 VanDerWaalsContact C-N 3.32Å; Q501-Q503 PolarHBondContact O-N 3.18Å |
| 504 | V | 72.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.1 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | A500 Q501 M502 L506 | A500-V504 WeakPolarHBondContact O-CG2 3.17Å; A500-V504 PolarHBondContact O-N 3.31Å; Q501-V504 WeakPolarHBondContact O-CG2 3.47Å; Q501-V504 PolarHBondContact O-N 3.4Å; M502-V504 VanDerWaalsContact C-N 3.31Å; M502-V504 PolarHBondContact O-N 3.2Å; V504-L506 HydrophobicContact CG2-CB 4.03Å; V504-L506 HydrophobicContact CG2-CD1 3.66Å; V504-L506 HydrophobicContact CG2-CG 3.67Å |
| 505 | G | 76.8 | Confident | 82 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 17.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q501 M502 | Q501-G505 PolarHBondContact O-N 2.99Å; Q501-G505 VanDerWaalsContact O-N 3.1Å; M502-G505 PolarHBondContact O-N 3.32Å |
| 506 | L | 77.1 | Confident | 82.9 | Confident | 134 Ų | 134 | 51.7 Ų | 51.7 | 70% | 0.702 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -91 | -4.4 | 179.5 | -67.5 | 178.8 | 0 | 0 | 0 | 114 | Q501 V504 | Q501-L506 HydrophobicContact CB-CB 4.35Å; Q501-L506 PolarHBondContact O-N 3.45Å; V504-L506 HydrophobicContact CG2-CB 4.03Å; V504-L506 HydrophobicContact CG2-CD1 3.66Å; V504-L506 HydrophobicContact CG2-CG 3.67Å |
| 507 | S | 82.2 | Confident | 84 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -146.9 | 164.8 | 178.3 | -162.3 | 0 | 0 | 0 | 0 | 111.5 | H498 Q501 | H498-S507 PolarHBondContact CD2-OG 2.97Å; H498-S507 VanDerWaalsContact CD2-OG 3.31Å; H498-S507 PolarHBondContact NE2-OG 2.9Å; Q501-S507 PolarHBondContact O-N 3.19Å | ||
| 508 | E | 87.7 | Confident | 85 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | trans | -119.1 | 149.9 | 177.3 | 71.2 | 172 | 161.4 | 0 | 0 | 110.9 | L474 G475 K476 H498 R511 | L474-E508 HydrophobicContact CB-CB 4.31Å; G475-E508 WeakPolarHBondContact CA-OE2 3.12Å; K476-E508 PolarHBondContact N-OE2 3.46Å; H498-E508 PolarHBondContact NE2-O 3.4Å; H498-E508 VanDerWaalsContact NE2-O 3.12Å; E508-R511 IonicContact OE2-CZ 3.8Å; E508-R511 IonicContact OE2-NH1 3.2Å; E508-R511 PolarHBondContact OE2-NH1 3.04Å; E508-R511 IonicContact OE2-NH2 2.63Å | ||
| 509 | P | 90.8 | Very high | 85.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | trans | -69.3 | 157.4 | 179.6 | 30.4 | -37 | 0 | 0 | 0 | 112.4 | P471 F491 M502 R511 | P471-P509 HydrophobicContact CB-CB 4.26Å; P471-P509 HydrophobicContact CB-CG 3.85Å; P471-P509 WeakPolarHBondContact O-CD 3.41Å; P471-P509 WeakPolarHBondContact O-CG 3.37Å; F491-P509 HydrophobicContact CB-CB 3.99Å; F491-P509 HydrophobicContact CD2-CB 3.58Å; F491-P509 HydrophobicContact CE2-CB 4.33Å; F491-P509 HydrophobicContact CG-CB 4Å; M502-P509 HydrophobicContact CE-CB 3.68Å; M502-P509 HydrophobicContact CE-CG 4.2Å; M502-P509 HydrophobicContact SD-CB 4.21Å; P509-R511 HydrophobicContact CG-CG 4.22Å; P509-R511 PolarHBondContact O-N 3.03Å | ||
| 510 | Y | 92.2 | Very high | 86.3 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 98.1 | 162.7 | -176.2 | -100.8 | 0 | 0 | 0 | 109.6 | P452 L454 F491 G492 Y494 I512 | P452-Y510 VanDerWaalsContact CD-CE1 3.44Å; P452-Y510 HydrophobicContact CG-CD1 3.73Å; P452-Y510 HydrophobicContact CG-CD2 4.17Å; P452-Y510 HydrophobicContact CG-CE1 3.42Å; P452-Y510 VanDerWaalsContact CG-CE1 3.42Å; P452-Y510 HydrophobicContact CG-CE2 3.9Å; P452-Y510 HydrophobicContact CG-CG 4.1Å; L454-Y510 HydrophobicContact CD1-CD1 4.21Å; L454-Y510 HydrophobicContact CD2-CD1 4.32Å; L454-Y510 HydrophobicContact CD2-CG 4.41Å; F491-Y510 CarbonylContact C-O 3.55Å; F491-Y510 VanDerWaalsContact CA-O 3.25Å; F491-Y510 WeakPolarHBondContact CA-O 3.41Å; F491-Y510 WeakPolarHBondContact CB-O 3.47Å; G492-Y510 PolarHBondContact N-O 3.2Å; G492-Y510 PolarHBondContact O-N 3.27Å; Y494-Y510 WeakPolarHBondContact OH-CD2 3.18Å; Y510-I512 HydrophobicContact CD1-CG1 3.73Å; Y510-I512 HydrophobicContact CE1-CG1 3.89Å; Y510-I512 PolarHBondContact O-N 3.04Å |
| 511 | R | 92.8 | Very high | 87.2 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 114.2 | 179.5 | -62.6 | 177.5 | -173.3 | 84.2 | 18.7 | 109.9 | P471 W472 L474 E508 P509 | P471-R511 PolarHBondContact O-NH2 2.91Å; W472-R511 HydrophobicContact CE3-CG 4.24Å; W472-R511 HydrophobicContact CH2-CB 4.18Å; W472-R511 HydrophobicContact CH2-CG 4.36Å; W472-R511 HydrophobicContact CZ3-CB 4.26Å; W472-R511 HydrophobicContact CZ3-CG 4.04Å; L474-R511 PolarHBondContact O-NH2 2.87Å; E508-R511 IonicContact OE2-CZ 3.8Å; E508-R511 IonicContact OE2-NH1 3.2Å; E508-R511 PolarHBondContact OE2-NH1 3.04Å; E508-R511 IonicContact OE2-NH2 2.63Å; P509-R511 HydrophobicContact CG-CG 4.22Å; P509-R511 PolarHBondContact O-N 3.03Å |
| 512 | I | 94.3 | Very high | 87.6 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.138 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -46.3 | -179.1 | -59.5 | 175.7 | 0 | 0 | 0 | 109.5 | L442 L444 I449 L451 L454 I457 V490 Y510 | L442-I512 HydrophobicContact CD2-CD1 4.05Å; L442-I512 HydrophobicContact CD2-CG2 3.89Å; L444-I512 HydrophobicContact CD1-CG2 3.88Å; I449-I512 HydrophobicContact CG2-CG2 3.78Å; L451-I512 HydrophobicContact CD2-CD1 3.95Å; L454-I512 HydrophobicContact CD1-CD1 4.12Å; I457-I512 HydrophobicContact CG1-CD1 4.45Å; I457-I512 HydrophobicContact CG2-CD1 4.23Å; V490-I512 HydrophobicContact CB-CB 4.33Å; V490-I512 HydrophobicContact CG1-CB 4.23Å; V490-I512 HydrophobicContact CG1-CD1 4.08Å; V490-I512 WeakPolarHBondContact O-CA 3.45Å; V490-I512 WeakPolarHBondContact O-CB 3.45Å; V490-I512 PolarHBondContact O-N 3.15Å; Y510-I512 HydrophobicContact CD1-CG1 3.73Å; Y510-I512 HydrophobicContact CE1-CG1 3.89Å; Y510-I512 PolarHBondContact O-N 3.04Å |
| 513 | G | 93.5 | Very high | 87.7 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -175 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W472 V490 | W472-G513 WeakPolarHBondContact CH2-O 3.33Å; V490-G513 PolarHBondContact N-O 3.33Å; V490-G513 PolarHBondContact O-N 2.89Å |
| 514 | Q | 94.6 | Very high | 87.5 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.4 | 171.2 | -88.4 | 171.6 | -39.7 | 0 | 0 | 109.7 | W472 E480 I487 F488 E489 | W472-Q514 HydrophobicContact CZ2-CG 3.96Å; E480-Q514 PolarHBondContact O-NE2 3.07Å; E480-Q514 VanDerWaalsContact O-NE2 3.16Å; I487-Q514 HydrophobicContact CG2-CB 3.61Å; I487-Q514 HydrophobicContact CG2-CG 3.8Å; F488-Q514 CarbonylContact O-C 3.53Å; F488-Q514 WeakPolarHBondContact O-CA 3.39Å; E489-Q514 HydrophobicContact CG-CG 4.07Å; E489-Q514 PolarHBondContact OE1-NE2 3.14Å |
| 515 | A | 94.4 | Very high | 87 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 148.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L444 D445 F488 V518 | L444-A515 HydrophobicContact CB-CB 3.84Å; L444-A515 HydrophobicContact CD2-CB 3.86Å; L444-A515 HydrophobicContact CG-CB 4.28Å; D445-A515 WeakPolarHBondContact OD2-CA 3.46Å; F488-A515 PolarHBondContact N-O 3.5Å; F488-A515 PolarHBondContact O-N 2.9Å; F488-A515 VanDerWaalsContact O-N 3.07Å; A515-V518 HydrophobicContact CB-CG2 4Å |
| 516 | K | 93.9 | Very high | 86.5 | Confident | 137 Ų | 137 | 74.3 Ų | 74.3 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -88.1 | -27.1 | 171.2 | -60 | -171 | 175.6 | -176 | 0 | 112.1 | W362 D445 G486 I487 | W362-K516 VanDerWaalsContact CZ3-O 3.31Å; W362-K516 WeakPolarHBondContact CZ3-O 3.21Å; D445-K516 WeakPolarHBondContact OD1-CA 3.5Å; D445-K516 PolarHBondContact OD1-N 2.9Å; D445-K516 PolarHBondContact OD2-N 3.32Å; G486-K516 WeakPolarHBondContact O-CG 3.41Å; I487-K516 HydrophobicContact CG1-CG 4.28Å |
| 517 | E | 93.7 | Very high | 86 | Confident | 120 Ų | 120 | 69 Ų | 69 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | trans | -130.5 | 127.4 | 177.6 | -172.2 | -177.5 | 173.2 | 0 | 0 | 110.2 | D445 | D445-E517 PolarHBondContact N-O 3.16Å; D445-E517 PolarHBondContact OD1-N 2.8Å | ||
| 518 | V | 93.4 | Very high | 85.3 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.9 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L442 R443 L444 L459 F488 V490 A515 M520 | L442-V518 HydrophobicContact CD1-CG1 3.67Å; R443-V518 WeakPolarHBondContact O-CA 3.38Å; L444-V518 HydrophobicContact CD2-CB 4.4Å; L444-V518 HydrophobicContact CD2-CG1 3.99Å; L444-V518 HydrophobicContact CD2-CG2 3.79Å; L459-V518 HydrophobicContact CD2-CB 3.77Å; L459-V518 HydrophobicContact CD2-CG1 3.73Å; L459-V518 HydrophobicContact CD2-CG2 3.94Å; L459-V518 HydrophobicContact CG-CG1 4.36Å; F488-V518 HydrophobicContact CB-CG2 4.4Å; F488-V518 HydrophobicContact CD2-CG2 3.8Å; F488-V518 HydrophobicContact CE2-CG2 4.38Å; F488-V518 HydrophobicContact CG-CG2 4.35Å; V490-V518 HydrophobicContact CG2-CG2 4.11Å; A515-V518 HydrophobicContact CB-CG2 4Å; V518-M520 HydrophobicContact CG1-CG 4.14Å |
| 519 | T | 92.6 | Very high | 84.2 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129 | 173.4 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | R443 | R443-T519 PolarHBondContact N-O 3.02Å; R443-T519 PolarHBondContact O-N 3.41Å |
| 520 | M | 89.9 | Confident | 83.1 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.3 | 178.7 | -63.1 | -176.9 | 68.3 | 0 | 0 | 110.4 | I389 V440 E441 L442 I457 L459 V518 | I389-M520 HydrophobicContact CB-CE 4.4Å; I389-M520 HydrophobicContact CD1-CE 4.37Å; I389-M520 HydrophobicContact CG2-CE 3.42Å; I389-M520 VanDerWaalsContact CG2-CE 3.42Å; V440-M520 HydrophobicContact CG1-CE 3.84Å; E441-M520 WeakPolarHBondContact O-CA 3.39Å; L442-M520 HydrophobicContact CD1-CG 3.61Å; L442-M520 HydrophobicContact CD1-SD 4.21Å; I457-M520 HydrophobicContact CB-CE 4.32Å; I457-M520 HydrophobicContact CD1-CE 3.96Å; I457-M520 HydrophobicContact CG2-CE 4.33Å; L459-M520 HydrophobicContact CD1-SD 3.99Å; V518-M520 HydrophobicContact CG1-CG 4.14Å |
| 521 | K | 88.1 | Confident | 81.5 | Confident | 128 Ų | 128 | 67 Ų | 67 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.4 | 176.2 | -176 | -178.7 | 177.9 | -176.3 | 0 | 110.1 | V440 E441 K523 | V440-K521 CarbonylContact C-O 3.53Å; V440-K521 WeakPolarHBondContact CA-O 3.35Å; E441-K521 HydrophobicContact CB-CB 4.24Å; E441-K521 PolarHBondContact N-O 3.22Å; E441-K521 PolarHBondContact O-N 3.28Å; K521-K523 PolarHBondContact O-N 2.86Å |
| 522 | I | 84.5 | Confident | 79.5 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 35% | 0.354 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.6 | 173.8 | -54.5 | 173.3 | 0 | 0 | 0 | 107.8 | I389 S439 V440 F527 I529 | I389-I522 HydrophobicContact CD1-CD1 3.73Å; I389-I522 HydrophobicContact CD1-CG1 4.07Å; S439-I522 CarbonylContact O-C 3.56Å; S439-I522 WeakPolarHBondContact O-CA 3.49Å; V440-I522 HydrophobicContact CG2-CG1 4.41Å; I522-F527 HydrophobicContact CG2-CD2 4.01Å; I522-F527 HydrophobicContact CG2-CE2 4.25Å; I522-I529 HydrophobicContact CD1-CD1 4.46Å |
| 523 | K | 81.5 | Confident | 77 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | trans | -71.5 | -56.4 | 176 | -59.8 | -175.4 | -173.9 | -166.3 | 0 | 110.8 | S439 E441 K521 | S439-K523 PolarHBondContact O-N 3.15Å; E441-K523 HydrophobicContact CG-CD 4.24Å; E441-K523 HydrophobicContact CG-CG 4.24Å; E441-K523 WeakPolarHBondContact OE1-CE 3.38Å; E441-K523 IonicContact OE1-NZ 3.08Å; E441-K523 PolarHBondContact OE1-NZ 2.85Å; K521-K523 PolarHBondContact O-N 2.86Å | ||
| 524 | N | 71.7 | Confident | 74 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -144.2 | 144.3 | -170.1 | -60.6 | -26.1 | 0 | 0 | 0 | 109.4 | S439 F527 | S439-N524 WeakPolarHBondContact CB-O 3.08Å; S439-N524 PolarHBondContact OG-O 2.86Å; N524-F527 WeakPolarHBondContact O-CE2 3.27Å |
| 525 | G | 60.9 | Low | 70.8 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 99.6 | 164.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 526 | L | 66.4 | Low | 67.6 | Low | 176 Ų | 176 | 84.2 Ų | 84.2 | 92% | 0.921 | 42% | 0.424 | S | S | * | . | trans | -115 | 107.5 | 178.3 | -81.1 | 151.4 | 0 | 0 | 0 | 107.6 | ||||
| 527 | F | 67.5 | Low | 64.3 | Low | 24 Ų | 24 | 84.5 Ų | 84.5 | 11% | 0.105 | 43% | 0.432 | C | S | . | . | trans | -113 | 134.9 | 177.8 | -57.8 | -81.9 | 0 | 0 | 0 | 109.5 | I389 C433 L436 S439 I522 N524 | I389-F527 HydrophobicContact CD1-CB 3.9Å; I389-F527 HydrophobicContact CG1-CB 3.65Å; I389-F527 HydrophobicContact CG1-CG 4.49Å; C433-F527 HydrophobicContact CB-CD1 4.37Å; L436-F527 HydrophobicContact CD1-CD1 3.54Å; L436-F527 HydrophobicContact CD1-CD2 4.08Å; L436-F527 HydrophobicContact CD1-CE1 3.65Å; L436-F527 HydrophobicContact CD1-CE2 4.19Å; L436-F527 HydrophobicContact CD1-CG 3.76Å; L436-F527 HydrophobicContact CD1-CZ 3.98Å; S439-F527 VanDerWaalsContact CB-CE2 3.48Å; I522-F527 HydrophobicContact CG2-CD2 4.01Å; I522-F527 HydrophobicContact CG2-CE2 4.25Å; N524-F527 WeakPolarHBondContact O-CE2 3.27Å | ||
| 528 | P | 66.3 | Low | 61.1 | Low | 20 Ų | 20 | 83 Ų | 83 | 13% | 0.13 | 44% | 0.435 | C | S | . | . | trans | -65.8 | 143.3 | 172.6 | 29.2 | -33.9 | 0 | 0 | 0 | 109.7 | I389 G390 A393 Q394 L397 | I389-P528 WeakPolarHBondContact CA-O 3.28Å; G390-P528 PolarHBondContact N-O 3.25Å; A393-P528 HydrophobicContact CB-CB 4.07Å; A393-P528 HydrophobicContact CB-CG 4.1Å; A393-P528 WeakPolarHBondContact CB-O 3.42Å; Q394-P528 HydrophobicContact CB-CG 3.66Å; Q394-P528 HydrophobicContact CG-CG 4.35Å; L397-P528 HydrophobicContact CD2-CB 4.43Å | ||
| 529 | I | 66.2 | Low | 58.1 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | 172.9 | -59 | 173.9 | 0 | 0 | 0 | 107 | L387 S388 I389 I522 P531 | L387-I529 HydrophobicContact CD1-CG2 4.29Å; L387-I529 HydrophobicContact CD2-CG2 4.5Å; L387-I529 HydrophobicContact CG-CG2 4.35Å; S388-I529 WeakPolarHBondContact O-CA 3.31Å; I389-I529 HydrophobicContact CD1-CG1 4.3Å; I389-I529 HydrophobicContact CG1-CG1 4.23Å; I522-I529 HydrophobicContact CD1-CD1 4.46Å; I529-P531 VanDerWaalsContact O-CD 3.31Å; I529-P531 WeakPolarHBondContact O-CD 3.42Å |
| 530 | Q | 66.4 | Low | 55.6 | Low | 34 Ų | 34 | 94.4 Ų | 94.4 | 16% | 0.159 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 96.6 | 172.8 | -178.8 | -172.2 | -17.9 | 0 | 0 | 108.8 | L387 S388 A393 T396 | L387-Q530 WeakPolarHBondContact CA-O 3.36Å; S388-Q530 PolarHBondContact N-O 3.34Å; S388-Q530 PolarHBondContact O-N 3.49Å; A393-Q530 HydrophobicContact CB-CB 3.74Å; T396-Q530 VanDerWaalsContact CG2-CD 3.45Å; T396-Q530 HydrophobicContact CG2-CG 4.36Å; T396-Q530 PolarHBondContact OG1-OE1 3.04Å |
| 531 | P | 59.8 | Low | 53.7 | Low | 27 Ų | 27 | 92.7 Ų | 92.7 | 18% | 0.175 | 48% | 0.477 | C | S | . | . | trans | -69.6 | 142.5 | 156.8 | 30.6 | -29.9 | 0 | 0 | 0 | 108 | I529 E533 | I529-P531 VanDerWaalsContact O-CD 3.31Å; I529-P531 WeakPolarHBondContact O-CD 3.42Å; P531-E533 PolarHBondContact O-N 2.94Å | ||
| 532 | S | 49.3 | Very low | 52.8 | Low | 20 Ų | 20 | 88.9 Ų | 88.9 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -62.6 | 85.3 | 169.6 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | N384 | N384-S532 PolarHBondContact N-OG 2.88Š|
| 533 | E | 42.7 | Very low | 52.6 | Low | 60 Ų | 60 | 86 Ų | 86 | 28% | 0.28 | 46% | 0.455 | S | S | . | . | trans | 151.3 | 110.3 | 163.7 | -86.6 | 160.9 | -146.7 | 0 | 0 | 111.4 | G296 N384 P531 | G296-E533 VanDerWaalsContact C-OE1 3.27Å; G296-E533 WeakPolarHBondContact CA-OE1 3.48Å; N384-E533 PolarHBondContact ND2-OE1 3.07Å; P531-E533 PolarHBondContact O-N 2.94Å | ||
| 534 | L | 30 | Very low | 52.6 | Low | 107 Ų | 107 | 85.7 Ų | 85.7 | 56% | 0.56 | 46% | 0.458 | S | S | * | . | trans | -143.9 | 84 | 161.7 | -124.6 | 142.8 | 0 | 0 | 0 | 109 | H400 R536 | H400-L534 PolarHBondContact CE1-O 3.42Å; L534-R536 HydrophobicContact CD2-CG 4.19Å | ||
| 535 | L | 26.9 | Very low | 53.4 | Low | 130 Ų | 130 | 86.8 Ų | 86.8 | 68% | 0.681 | 45% | 0.454 | S | S | * | . | trans | -105.2 | 99 | 160.9 | -97.7 | 151.1 | 0 | 0 | 0 | 106.5 | ||||
| 536 | R | 27.3 | Very low | 54.9 | Low | 211 Ų | 211 | 84.2 Ų | 84.2 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | trans | -92.9 | 124.2 | 165.2 | -85.1 | -172.9 | 177.2 | -167.9 | 0.3 | 108.8 | L534 S538 | L534-R536 HydrophobicContact CD2-CG 4.19Å; R536-S538 PolarHBondContact O-N 3.29Å; R536-S538 VanDerWaalsContact O-N 3.15Å | ||
| 537 | L | 24.5 | Very low | 56.2 | Low | 144 Ų | 144 | 78.5 Ų | 78.5 | 75% | 0.754 | 40% | 0.395 | S | S | * | . | trans | -58.7 | 105.4 | 161.1 | -76.8 | 146.5 | 0 | 0 | 0 | 108.2 | ||||
| 538 | S | 27.3 | Very low | 57.4 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 62% | 0.622 | 39% | 0.39 | S | S | * | . | trans | -73.6 | 129 | 166 | 57.3 | 0 | 0 | 0 | 0 | 108.5 | R536 | R536-S538 PolarHBondContact O-N 3.29Å; R536-S538 VanDerWaalsContact O-N 3.15Å | ||
| 539 | K | 30.5 | Very low | 58.6 | Low | 193 Ų | 193 | 77.6 Ų | 77.6 | 84% | 0.839 | 39% | 0.392 | S | S | * | . | trans | -52.9 | 138.8 | 165.7 | -79.9 | 176.2 | 169.6 | -177.5 | 0 | 108.6 | G541 | K539-G541 PolarHBondContact O-N 3.43Š| ||
| 540 | M | 39.4 | Very low | 59.6 | Low | 141 Ų | 141 | 75.5 Ų | 75.5 | 70% | 0.695 | 38% | 0.384 | S | S | * | . | trans | -65.1 | 99 | 169.4 | -71.4 | 177.2 | 73 | 0 | 0 | 107.6 | A542 | M540-A542 PolarHBondContact O-N 2.77Š| ||
| 541 | G | 51.5 | Low | 60.6 | Low | 20 Ų | 20 | 75 Ų | 75 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | trans | -77.8 | 102.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | K539 P671 M672 | K539-G541 PolarHBondContact O-N 3.43Å; G541-P671 CarbonylContact O-C 3.53Å; G541-M672 WeakPolarHBondContact O-CG 3.36Å | ||
| 542 | A | 68.8 | Low | 62.1 | Low | 48 Ų | 48 | 73.8 Ų | 73.8 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | trans | -72.7 | 138.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | M540 I700 | M540-A542 PolarHBondContact O-N 2.77Å; A542-I700 HydrophobicContact CB-CD1 4.47Å | ||
| 543 | V | 80.5 | Confident | 64.2 | Low | 8 Ų | 8 | 74.4 Ų | 74.4 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | trans | -86.9 | 118.2 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | R545 V546 G581 C583 M672 Q698 V719 | V543-R545 WeakPolarHBondContact CG1-O 3.26Å; V543-V546 HydrophobicContact CG1-CG2 4.13Å; V543-G581 CarbonylContact C-O 3.55Å; V543-C583 HydrophobicContact CG1-CB 3.99Å; V543-C583 VanDerWaalsContact CG2-SG 3.53Å; V543-M672 HydrophobicContact CG2-CB 3.76Å; V543-M672 HydrophobicContact CG2-CE 3.86Å; V543-M672 HydrophobicContact CG2-CG 4.06Å; V543-M672 WeakPolarHBondContact CG2-O 3.31Å; V543-Q698 VanDerWaalsContact CG2-CD 3.49Å; V543-Q698 VanDerWaalsContact CG2-NE2 3.33Å; V543-V719 HydrophobicContact CB-CG1 4.32Å; V543-V719 HydrophobicContact CG1-CG1 3.84Å | ||
| 544 | N | 80.5 | Confident | 66.4 | Low | 100 Ų | 100 | 75.1 Ų | 75.1 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | trans | -83.7 | -33.2 | 177.8 | -62.5 | -35.8 | 0 | 0 | 0 | 112.1 | A580 G581 P720 | N544-A580 PolarHBondContact ND2-O 2.86Å; N544-A580 VanDerWaalsContact ND2-O 3.12Å; N544-G581 PolarHBondContact N-O 2.84Å; N544-P720 WeakPolarHBondContact O-CD 3.41Å | ||
| 545 | R | 88.3 | Confident | 69.3 | Low | 139 Ų | 139 | 70 Ų | 70 | 53% | 0.525 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 146.9 | -177.8 | -64 | -173.1 | -169.1 | -174.7 | 3 | 112.4 | V543 G581 C583 | V543-R545 WeakPolarHBondContact CG1-O 3.26Å; R545-G581 PolarHBondContact N-O 2.57Å; R545-C583 PolarHBondContact O-N 3.48Å |
| 546 | V | 92.9 | Very high | 72.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.9 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | V543 C583 I585 I674 A696 V719 P720 V721 I722 | V543-V546 HydrophobicContact CG1-CG2 4.13Å; V546-C583 CarbonylContact C-O 3.6Å; V546-C583 VanDerWaalsContact CA-O 3.27Å; V546-C583 WeakPolarHBondContact CA-O 3.33Å; V546-C583 HydrophobicContact CG2-CB 4.27Å; V546-I585 HydrophobicContact CG1-CD1 3.52Å; V546-I585 HydrophobicContact CG1-CG1 4.32Å; V546-I674 HydrophobicContact CG2-CD1 3.88Å; V546-I674 HydrophobicContact CG2-CG1 3.77Å; V546-A696 HydrophobicContact CG2-CB 4.04Å; V546-V719 HydrophobicContact CG2-CB 4.41Å; V546-V719 HydrophobicContact CG2-CG1 3.76Å; V546-P720 PolarHBondContact N-O 2.89Å; V546-V721 HydrophobicContact CB-CG2 4.3Å; V546-V721 CarbonylContact O-C 3.6Å; V546-V721 WeakPolarHBondContact O-CA 3.44Å; V546-I722 PolarHBondContact O-N 2.74Å |
| 547 | F | 92.9 | Very high | 75.7 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.1 | 167.3 | -67 | -80.3 | 0 | 0 | 0 | 108.9 | I582 C583 S584 I585 I722 V724 | F547-I582 HydrophobicContact CD2-CG2 3.43Å; F547-I582 VanDerWaalsContact CD2-CG2 3.43Å; F547-I582 HydrophobicContact CE2-CD1 4.17Å; F547-I582 HydrophobicContact CE2-CG1 4.36Å; F547-I582 HydrophobicContact CE2-CG2 3.5Å; F547-C583 PolarHBondContact N-O 2.64Å; F547-S584 CarbonylContact O-C 3.52Å; F547-S584 WeakPolarHBondContact O-CA 3.48Å; F547-I585 PolarHBondContact O-N 2.94Å; F547-I722 WeakPolarHBondContact CA-O 3.34Å; F547-I722 HydrophobicContact CD1-CB 3.86Å; F547-I722 HydrophobicContact CD1-CD1 4.35Å; F547-I722 HydrophobicContact CD1-CG2 3.98Å; F547-I722 HydrophobicContact CE1-CB 4.06Å; F547-I722 HydrophobicContact CE1-CD1 3.71Å; F547-I722 HydrophobicContact CE1-CG1 4.47Å; F547-I722 HydrophobicContact CE1-CG2 4.06Å; F547-I722 HydrophobicContact CZ-CD1 4.16Å; F547-V724 HydrophobicContact CB-CG2 3.8Å; F547-V724 HydrophobicContact CD1-CG2 3.72Å; F547-V724 HydrophobicContact CG-CG2 4.2Å |
| 548 | L | 93.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.6 | -179.5 | -175 | 64 | 0 | 0 | 0 | 109 | V552 H553 I585 L676 V721 I722 I723 V724 | L548-V552 HydrophobicContact CD1-CB 3.97Å; L548-V552 HydrophobicContact CD1-CG1 3.57Å; L548-H553 HydrophobicContact CD2-CB 3.84Å; L548-H553 HydrophobicContact CG-CB 4.2Å; L548-I585 HydrophobicContact CD1-CB 3.78Å; L548-I585 HydrophobicContact CD1-CD1 3.85Å; L548-I585 HydrophobicContact CD1-CG1 4.46Å; L548-I585 HydrophobicContact CD1-CG2 3.69Å; L548-L676 HydrophobicContact CD1-CD2 4.47Å; L548-L676 HydrophobicContact CD2-CD2 4.04Å; L548-V721 HydrophobicContact CB-CG1 3.94Å; L548-V721 HydrophobicContact CD2-CG1 4.27Å; L548-I722 PolarHBondContact N-O 2.97Å; L548-I723 CarbonylContact O-C 3.44Å; L548-I723 VanDerWaalsContact O-CA 3.3Å; L548-I723 WeakPolarHBondContact O-CA 3.19Å; L548-V724 PolarHBondContact O-N 2.96Å |
| 549 | S | 91.1 | Very high | 82 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 143.9 | 175.5 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | D551 V552 H553 I585 T586 | S549-D551 PolarHBondContact O-N 3.1Å; S549-D551 VanDerWaalsContact O-N 3.15Å; S549-V552 PolarHBondContact O-N 3.48Å; S549-V552 WeakPolarHBondContact OG-CB 3.48Å; S549-V552 WeakPolarHBondContact OG-CG2 3.41Å; S549-V552 PolarHBondContact OG-N 2.99Å; S549-H553 PolarHBondContact O-N 3.16Å; S549-I585 PolarHBondContact N-O 3.34Å; S549-T586 PolarHBondContact OG-O 3.43Å |
| 550 | S | 88.3 | Confident | 85 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.4 | -34.2 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | L554 V724 | S550-L554 WeakPolarHBondContact O-CB 3.31Å; S550-L554 PolarHBondContact O-N 3.5Å; S550-V724 PolarHBondContact N-O 3.45Å |
| 551 | D | 86.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.1 | -47.5 | -178.9 | -67.5 | 21.1 | 0 | 0 | 0 | 111.2 | S549 H553 L554 I555 K726 L735 | S549-D551 PolarHBondContact O-N 3.1Å; S549-D551 VanDerWaalsContact O-N 3.15Å; D551-H553 VanDerWaalsContact C-N 3.28Å; D551-H553 PolarHBondContact O-N 3.13Å; D551-L554 PolarHBondContact O-N 2.98Å; D551-L554 VanDerWaalsContact O-N 3.16Å; D551-I555 VanDerWaalsContact O-CD1 3.29Å; D551-I555 WeakPolarHBondContact O-CD1 3.2Å; D551-I555 VanDerWaalsContact O-CG1 3.22Å; D551-I555 WeakPolarHBondContact O-CG1 3.24Å; D551-I555 PolarHBondContact O-N 3.44Å; D551-K726 IonicContact OD1-NZ 2.72Å; D551-K726 VanDerWaalsContact OD2-CE 3.29Å; D551-K726 WeakPolarHBondContact OD2-CE 3.39Å; D551-K726 IonicContact OD2-NZ 2.69Å; D551-K726 PolarHBondContact OD2-NZ 2.92Å; D551-L735 HydrophobicContact CB-CD1 4.16Å |
| 552 | V | 92 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | L548 S549 L554 I555 C556 L572 I585 T586 N587 C588 | L548-V552 HydrophobicContact CD1-CB 3.97Å; L548-V552 HydrophobicContact CD1-CG1 3.57Å; S549-V552 PolarHBondContact O-N 3.48Å; S549-V552 WeakPolarHBondContact OG-CB 3.48Å; S549-V552 WeakPolarHBondContact OG-CG2 3.41Å; S549-V552 PolarHBondContact OG-N 2.99Å; V552-L554 VanDerWaalsContact C-N 3.34Å; V552-L554 PolarHBondContact O-N 3.23Å; V552-I555 PolarHBondContact O-N 2.88Å; V552-C556 VanDerWaalsContact O-CB 3.29Å; V552-C556 WeakPolarHBondContact O-CB 3.46Å; V552-C556 PolarHBondContact O-N 2.89Å; V552-C556 PolarHBondContact O-SG 2.92Å; V552-L572 HydrophobicContact CG1-CD2 4.37Å; V552-I585 HydrophobicContact CG1-CG2 3.95Å; V552-I585 HydrophobicContact CG2-CG2 4.47Å; V552-T586 VanDerWaalsContact CG2-C 3.43Å; V552-T586 VanDerWaalsContact CG2-O 3.25Å; V552-T586 WeakPolarHBondContact CG2-O 3.49Å; V552-N587 VanDerWaalsContact CG2-CA 3.48Å; V552-C588 HydrophobicContact CG1-CB 3.82Å |
| 553 | H | 92.3 | Very high | 90 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.8 | 175.3 | -97.3 | 0 | 0 | 0 | 111.7 | L548 S549 D551 L557 F678 Y694 | L548-H553 HydrophobicContact CD2-CB 3.84Å; L548-H553 HydrophobicContact CG-CB 4.2Å; S549-H553 PolarHBondContact O-N 3.16Å; D551-H553 VanDerWaalsContact C-N 3.28Å; D551-H553 PolarHBondContact O-N 3.13Å; H553-L557 WeakPolarHBondContact O-CB 3.36Å; H553-L557 PolarHBondContact O-N 2.95Å; H553-F678 AromaticContact CD2-CE1 4Å; H553-Y694 AromaticContact NE2-CD1 3.84Å; H553-Y694 AromaticContact NE2-CE1 3.73Å |
| 554 | L | 89.9 | Confident | 90.4 | Very high | 75 Ų | 75 | 37 Ų | 37 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 179 | -178.6 | 62.4 | 0 | 0 | 0 | 112.5 | S550 D551 V552 L557 T558 L735 F739 | S550-L554 WeakPolarHBondContact O-CB 3.31Å; S550-L554 PolarHBondContact O-N 3.5Å; D551-L554 PolarHBondContact O-N 2.98Å; D551-L554 VanDerWaalsContact O-N 3.16Å; V552-L554 VanDerWaalsContact C-N 3.34Å; V552-L554 PolarHBondContact O-N 3.23Å; L554-L557 PolarHBondContact O-N 3.18Å; L554-T558 WeakPolarHBondContact O-CB 3.46Å; L554-T558 PolarHBondContact O-N 3Å; L554-T558 PolarHBondContact O-OG1 2.78Å; L554-L735 HydrophobicContact CD2-CD2 4.39Å; L554-F739 HydrophobicContact CD2-CE2 4.4Å; L554-F739 HydrophobicContact CD2-CZ 4.06Å; L554-F739 HydrophobicContact CG-CZ 4.07Å |
| 555 | I | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -48 | -179.9 | -62.3 | 153 | 0 | 0 | 0 | 110.7 | D551 V552 L557 T558 H559 Q590 L735 H738 | D551-I555 VanDerWaalsContact O-CD1 3.29Å; D551-I555 WeakPolarHBondContact O-CD1 3.2Å; D551-I555 VanDerWaalsContact O-CG1 3.22Å; D551-I555 WeakPolarHBondContact O-CG1 3.24Å; D551-I555 PolarHBondContact O-N 3.44Å; V552-I555 PolarHBondContact O-N 2.88Å; I555-L557 VanDerWaalsContact C-N 3.29Å; I555-L557 PolarHBondContact O-N 3.32Å; I555-T558 PolarHBondContact O-N 2.83Å; I555-H559 WeakPolarHBondContact O-CB 3.32Å; I555-H559 PolarHBondContact O-N 2.87Å; I555-Q590 HydrophobicContact CG2-CG 4.46Å; I555-L735 HydrophobicContact CD1-CD1 3.73Å; I555-L735 HydrophobicContact CG1-CD1 3.63Å; I555-H738 HydrophobicContact CD1-CB 3.28Å; I555-H738 VanDerWaalsContact CD1-CG 3.48Å; I555-H738 HydrophobicContact CG1-CB 3.89Å; I555-H738 HydrophobicContact CG2-CB 4.29Å |
| 556 | C | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.2 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | V552 H559 A560 Y644 F678 | V552-C556 VanDerWaalsContact O-CB 3.29Å; V552-C556 WeakPolarHBondContact O-CB 3.46Å; V552-C556 PolarHBondContact O-N 2.89Å; V552-C556 PolarHBondContact O-SG 2.92Å; C556-H559 PolarHBondContact O-N 3.3Å; C556-A560 WeakPolarHBondContact O-CB 3.18Å; C556-A560 PolarHBondContact O-N 3.04Å; C556-Y644 HydrophobicContact CB-CD2 4.16Å; C556-Y644 HydrophobicContact CB-CE2 4.01Å; C556-Y644 VanDerWaalsContact SG-CE1 3.51Å; C556-F678 HydrophobicContact CB-CD2 4.27Å; C556-F678 HydrophobicContact CB-CE1 4.22Å; C556-F678 HydrophobicContact CB-CE2 3.5Å; C556-F678 VanDerWaalsContact CB-CE2 3.5Å; C556-F678 HydrophobicContact CB-CZ 3.47Å; C556-F678 VanDerWaalsContact CB-CZ 3.47Å |
| 557 | L | 92.8 | Very high | 90 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 177.6 | -174.2 | 61.4 | 0 | 0 | 0 | 112.1 | H553 L554 I555 H559 A560 F561 F678 V680 V692 | H553-L557 WeakPolarHBondContact O-CB 3.36Å; H553-L557 PolarHBondContact O-N 2.95Å; L554-L557 PolarHBondContact O-N 3.18Å; I555-L557 VanDerWaalsContact C-N 3.29Å; I555-L557 PolarHBondContact O-N 3.32Å; L557-H559 VanDerWaalsContact C-N 3.31Å; L557-H559 PolarHBondContact O-N 3.49Å; L557-A560 WeakPolarHBondContact O-CB 3.49Å; L557-A560 PolarHBondContact O-N 2.84Å; L557-F561 HydrophobicContact CD1-CD2 3.89Å; L557-F561 HydrophobicContact CD1-CE2 3.56Å; L557-F561 HydrophobicContact CD2-CE2 4.31Å; L557-F561 HydrophobicContact CG-CD2 3.88Å; L557-F561 HydrophobicContact CG-CE2 3.78Å; L557-F561 VanDerWaalsContact O-CD2 3.28Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.19Å; L557-F678 HydrophobicContact CD1-CD1 4.35Å; L557-V680 HydrophobicContact CD1-CG1 3.95Å; L557-V692 HydrophobicContact CD1-CG1 3.51Å; L557-V692 HydrophobicContact CD2-CG1 4.47Å |
| 558 | T | 91.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.3 | -54.3 | 0 | 0 | 0 | 0 | 111 | L554 I555 F561 S562 F739 L742 L792 | L554-T558 WeakPolarHBondContact O-CB 3.46Å; L554-T558 PolarHBondContact O-N 3Å; L554-T558 PolarHBondContact O-OG1 2.78Å; I555-T558 PolarHBondContact O-N 2.83Å; T558-F561 PolarHBondContact O-N 2.95Å; T558-S562 PolarHBondContact O-N 2.8Å; T558-S562 VanDerWaalsContact O-N 3.16Å; T558-F739 HydrophobicContact CG2-CE1 3.95Å; T558-L742 HydrophobicContact CG2-CD2 3.95Å; T558-L792 HydrophobicContact CG2-CD1 3.66Å |
| 559 | H | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.5 | -169.3 | -164.9 | 0 | 0 | 0 | 111.1 | I555 C556 L557 F561 S562 V568 M569 Q590 Y644 L742 | I555-H559 WeakPolarHBondContact O-CB 3.32Å; I555-H559 PolarHBondContact O-N 2.87Å; C556-H559 PolarHBondContact O-N 3.3Å; L557-H559 VanDerWaalsContact C-N 3.31Å; L557-H559 PolarHBondContact O-N 3.49Å; H559-F561 VanDerWaalsContact C-N 3.29Å; H559-F561 PolarHBondContact O-N 3.5Å; H559-S562 VanDerWaalsContact O-CB 3.26Å; H559-S562 WeakPolarHBondContact O-CB 3.23Å; H559-S562 PolarHBondContact O-N 2.77Å; H559-S562 PolarHBondContact O-OG 3.46Å; H559-V568 HydrophobicContact CB-CG2 4.42Å; H559-V568 WeakPolarHBondContact O-CG2 3.4Å; H559-M569 PolarHBondContact CE1-O 3.49Å; H559-M569 VanDerWaalsContact CE1-O 3.3Å; H559-Q590 HydrophobicContact CB-CG 4.47Å; H559-Y644 AromaticContact ND1-CE2 3.86Å; H559-Y644 AromaticContact ND1-CZ 3.74Å; H559-Y644 PolarHBondContact ND1-OH 3.31Å; H559-L742 HydrophobicContact CB-CD1 3.92Å; H559-L742 HydrophobicContact CB-CD2 4.25Å; H559-L742 WeakPolarHBondContact CD2-CD1 3.43Å |
| 560 | A | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C556 L557 S562 F678 V680 | C556-A560 WeakPolarHBondContact O-CB 3.18Å; C556-A560 PolarHBondContact O-N 3.04Å; L557-A560 WeakPolarHBondContact O-CB 3.49Å; L557-A560 PolarHBondContact O-N 2.84Å; A560-S562 VanDerWaalsContact C-N 3.29Å; A560-S562 PolarHBondContact O-N 2.93Å; A560-F678 HydrophobicContact CB-CB 4Å; A560-V680 HydrophobicContact CB-CG1 3.85Å; A560-V680 HydrophobicContact CB-CG2 4.06Å |
| 561 | F | 91.7 | Very high | 89.9 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 39% | 0.386 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5.4 | 175.4 | -80 | -65.2 | 0 | 0 | 0 | 115.1 | L557 T558 H559 S563 V680 F681 V692 | L557-F561 HydrophobicContact CD1-CD2 3.89Å; L557-F561 HydrophobicContact CD1-CE2 3.56Å; L557-F561 HydrophobicContact CD2-CE2 4.31Å; L557-F561 HydrophobicContact CG-CD2 3.88Å; L557-F561 HydrophobicContact CG-CE2 3.78Å; L557-F561 VanDerWaalsContact O-CD2 3.28Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.19Å; T558-F561 PolarHBondContact O-N 2.95Å; H559-F561 VanDerWaalsContact C-N 3.29Å; H559-F561 PolarHBondContact O-N 3.5Å; F561-S563 PolarHBondContact O-N 2.81Å; F561-V680 HydrophobicContact CD1-CB 4.17Å; F561-V680 HydrophobicContact CD1-CG1 4.33Å; F561-V680 HydrophobicContact CD2-CG1 4.24Å; F561-V680 HydrophobicContact CE1-CB 3.92Å; F561-V680 HydrophobicContact CE1-CG1 4.08Å; F561-V680 HydrophobicContact CE2-CG1 4Å; F561-V680 HydrophobicContact CG-CG1 4.41Å; F561-V680 HydrophobicContact CZ-CB 4.23Å; F561-V680 HydrophobicContact CZ-CG1 3.91Å; F561-F681 HydrophobicContact CB-CZ 4.36Å; F561-F681 HydrophobicContact CD1-CD1 4.25Å; F561-F681 AromaticContact CD1-CE1 3.7Å; F561-F681 HydrophobicContact CD1-CE1 3.7Å; F561-F681 HydrophobicContact CD1-CE2 4.09Å; F561-F681 AromaticContact CD1-CZ 3.62Å; F561-F681 HydrophobicContact CD1-CZ 3.62Å; F561-F681 HydrophobicContact CE1-CD1 4.37Å; F561-F681 HydrophobicContact CE1-CE1 4.25Å; F561-F681 HydrophobicContact CE1-CZ 4.47Å; F561-F681 HydrophobicContact CG-CZ 4.45Å; F561-F681 WeakPolarHBondContact O-CZ 3.13Å; F561-V692 HydrophobicContact CE2-CG2 4.01Å; F561-V692 HydrophobicContact CZ-CG2 3.52Å |
| 562 | S | 88.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.8 | 178.6 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | T558 H559 A560 | T558-S562 PolarHBondContact O-N 2.8Å; T558-S562 VanDerWaalsContact O-N 3.16Å; H559-S562 VanDerWaalsContact O-CB 3.26Å; H559-S562 WeakPolarHBondContact O-CB 3.23Å; H559-S562 PolarHBondContact O-N 2.77Å; H559-S562 PolarHBondContact O-OG 3.46Å; A560-S562 VanDerWaalsContact C-N 3.29Å; A560-S562 PolarHBondContact O-N 2.93Å |
| 563 | S | 84.9 | Confident | 90.2 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | trans | -146.2 | 117.8 | -175.8 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F561 E566 R593 F681 | F561-S563 PolarHBondContact O-N 2.81Å; S563-E566 WeakPolarHBondContact CB-O 3.45Å; S563-E566 PolarHBondContact OG-N 3.15Å; S563-E566 VanDerWaalsContact OG-N 3.15Å; S563-E566 PolarHBondContact OG-O 2.6Å; S563-R593 PolarHBondContact OG-NH1 3.26Å; S563-F681 WeakPolarHBondContact O-CE2 3.41Å | ||
| 564 | E | 88 | Confident | 90.1 | Very high | 98 Ų | 98 | 31.3 Ų | 31.3 | 46% | 0.458 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -85.4 | -18.2 | 172.4 | -173.5 | 176.7 | -143.7 | 0 | 0 | 112.2 | P648 H649 F681 | E564-P648 WeakPolarHBondContact O-CB 3.28Å; E564-H649 WeakPolarHBondContact CG-NE2 3.09Å; E564-H649 IonicContact OE1-CE1 3.76Å; E564-H649 PolarHBondContact OE1-CE1 3.2Å; E564-H649 IonicContact OE1-NE2 2.66Å; E564-H649 PolarHBondContact OE1-NE2 2.88Å; E564-H649 VanDerWaalsContact OE1-NE2 3.14Å; E564-F681 HydrophobicContact CB-CD1 4.26Å; E564-F681 HydrophobicContact CB-CD2 4.08Å; E564-F681 HydrophobicContact CB-CE1 4.09Å; E564-F681 HydrophobicContact CB-CE2 3.93Å; E564-F681 HydrophobicContact CB-CG 4.25Å; E564-F681 HydrophobicContact CB-CZ 3.91Å; E564-F681 HydrophobicContact CG-CB 4.22Å; E564-F681 HydrophobicContact CG-CD1 4.01Å; E564-F681 HydrophobicContact CG-CD2 4.04Å; E564-F681 HydrophobicContact CG-CE1 4.34Å; E564-F681 HydrophobicContact CG-CE2 4.39Å; E564-F681 HydrophobicContact CG-CG 3.84Å |
| 565 | K | 83.5 | Confident | 90 | Very high | 173 Ų | 173 | 30 Ų | 30 | 75% | 0.752 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -94.3 | -26.3 | -171.2 | -63 | -169.9 | 178.7 | -166.1 | 0 | 114.3 | ||
| 566 | E | 82.5 | Confident | 89.7 | Confident | 61 Ų | 61 | 30.9 Ų | 30.9 | 29% | 0.285 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -142.9 | 144.3 | -169.4 | -61.2 | 177.4 | -179.9 | 0 | 0 | 109.3 | S563 R593 | S563-E566 WeakPolarHBondContact CB-O 3.45Å; S563-E566 PolarHBondContact OG-N 3.15Å; S563-E566 VanDerWaalsContact OG-N 3.15Å; S563-E566 PolarHBondContact OG-O 2.6Å; E566-R593 IonicContact OE2-CZ 2.61Å; E566-R593 IonicContact OE2-NE 2.58Å; E566-R593 IonicContact OE2-NH1 2.88Å; E566-R593 PolarHBondContact OE2-NH1 2.94Å |
| 567 | E | 88.3 | Confident | 89.1 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 14% | 0.14 | 17% | 0.168 | C | C | . | . | trans | -66.3 | 135.4 | 174.5 | -55.1 | 177.7 | 145.8 | 0 | 0 | 109.6 | D599 S646 H647 | E567-D599 PolarHBondContact OE2-N 2.75Å; E567-S646 VanDerWaalsContact CB-O 3.29Å; E567-S646 WeakPolarHBondContact CB-O 3.14Å; E567-S646 VanDerWaalsContact CG-O 3.23Å; E567-S646 WeakPolarHBondContact CG-O 3.25Å; E567-H647 IonicContact OE1-CD2 3.84Å; E567-H647 PolarHBondContact OE1-CD2 2.85Å; E567-H647 IonicContact OE1-NE2 3.23Å | ||
| 568 | V | 89.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -102.7 | 157.9 | 171.5 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | H559 H645 S646 | H559-V568 HydrophobicContact CB-CG2 4.42Å; H559-V568 WeakPolarHBondContact O-CG2 3.4Å; V568-H645 CarbonylContact O-C 3.58Å; V568-H645 WeakPolarHBondContact O-CA 3.5Å; V568-H645 VanDerWaalsContact O-CB 3.28Å; V568-H645 WeakPolarHBondContact O-CB 3.3Å; V568-S646 WeakPolarHBondContact CG2-OG 3.37Å; V568-S646 PolarHBondContact N-OG 2.88Å; V568-S646 PolarHBondContact O-N 3.14Å | ||
| 569 | M | 90 | Very high | 87.2 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.4 | -178.7 | 73.1 | 179.5 | -67.4 | 0 | 0 | 112.7 | H559 L591 V601 L603 Y644 H645 | H559-M569 PolarHBondContact CE1-O 3.49Å; H559-M569 VanDerWaalsContact CE1-O 3.3Å; M569-L591 HydrophobicContact CE-CD1 3.84Å; M569-L591 HydrophobicContact CG-CB 3.97Å; M569-L591 HydrophobicContact CG-CD1 4.3Å; M569-L591 PolarHBondContact O-N 2.84Å; M569-L591 VanDerWaalsContact O-N 3.08Å; M569-L591 HydrophobicContact SD-CD1 4.47Å; M569-V601 HydrophobicContact CB-CG1 3.68Å; M569-V601 HydrophobicContact CE-CG1 3.4Å; M569-V601 HydrophobicContact CG-CG1 4.13Å; M569-V601 HydrophobicContact SD-CG1 3.44Å; M569-V601 WeakPolarHBondContact SD-CG1 3.28Å; M569-L603 HydrophobicContact CE-CG 4.12Å; M569-Y644 CarbonylContact C-O 3.59Å; M569-Y644 VanDerWaalsContact CA-O 3.3Å; M569-Y644 WeakPolarHBondContact CA-O 3.39Å; M569-H645 HydrophobicContact CB-CB 4.34Å |
| 570 | G | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I589 W643 Y644 | G570-I589 CarbonylContact C-O 3.57Å; G570-I589 WeakPolarHBondContact CA-O 3.2Å; G570-W643 CarbonylContact O-C 3.49Å; G570-W643 WeakPolarHBondContact O-CA 3.36Å; G570-Y644 VanDerWaalsContact C-CE1 3.5Å; G570-Y644 PolarHBondContact N-O 3.16Å; G570-Y644 PolarHBondContact O-N 2.79Å |
| 571 | L | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 148.8 | 178.3 | -76 | 175.1 | 0 | 0 | 0 | 111.6 | C588 I589 L591 L603 L608 A611 V640 W643 W673 | L571-C588 CarbonylContact O-C 3.54Å; L571-C588 WeakPolarHBondContact O-CA 3.27Å; L571-C588 WeakPolarHBondContact O-CB 3.45Å; L571-I589 HydrophobicContact CB-CB 4.41Å; L571-I589 PolarHBondContact N-O 2.94Å; L571-I589 PolarHBondContact O-N 2.95Å; L571-L591 HydrophobicContact CG-CD1 4.13Å; L571-L603 HydrophobicContact CD1-CD2 3.66Å; L571-L603 HydrophobicContact CD2-CD1 3.64Å; L571-L603 HydrophobicContact CD2-CD2 3.58Å; L571-L603 HydrophobicContact CD2-CG 4.2Å; L571-L603 HydrophobicContact CG-CD2 3.82Å; L571-L608 HydrophobicContact CD1-CD1 4Å; L571-L608 HydrophobicContact CD2-CD1 4.47Å; L571-A611 HydrophobicContact CD1-CB 3.31Å; L571-V640 HydrophobicContact CB-CG1 4.25Å; L571-V640 HydrophobicContact CD1-CG1 4.26Å; L571-V640 HydrophobicContact CD2-CG1 3.87Å; L571-V640 HydrophobicContact CG-CG1 4.37Å; L571-W643 HydrophobicContact CD2-CB 4.25Å; L571-W673 HydrophobicContact CD2-CZ2 4.34Å |
| 572 | L | 94 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.3 | -180 | -57 | 170.9 | 0 | 0 | 0 | 109.7 | V552 I585 C588 V640 I641 G642 W643 Y644 I674 L676 | V552-L572 HydrophobicContact CG1-CD2 4.37Å; L572-I585 HydrophobicContact CB-CD1 4.41Å; L572-I585 HydrophobicContact CB-CG1 4.37Å; L572-I585 HydrophobicContact CB-CG2 4.1Å; L572-I585 HydrophobicContact CD1-CD1 3.85Å; L572-I585 HydrophobicContact CD2-CG2 4.13Å; L572-C588 HydrophobicContact CD2-CB 4.36Å; L572-V640 WeakPolarHBondContact O-CA 3.39Å; L572-I641 PolarHBondContact O-N 3.15Å; L572-G642 PolarHBondContact N-O 2.79Å; L572-G642 PolarHBondContact O-N 3.27Å; L572-W643 VanDerWaalsContact CD1-O 3.31Å; L572-W643 WeakPolarHBondContact CD1-O 3.37Å; L572-Y644 HydrophobicContact CD2-CD1 3.65Å; L572-Y644 HydrophobicContact CD2-CE1 4.43Å; L572-Y644 HydrophobicContact CD2-CG 4.36Å; L572-Y644 HydrophobicContact CG-CD1 4.2Å; L572-I674 HydrophobicContact CD1-CG2 4.29Å; L572-L676 HydrophobicContact CD1-CB 4Å; L572-L676 HydrophobicContact CD1-CD2 4.33Å |
| 573 | I | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.3 | -180 | -65.4 | 173.5 | 0 | 0 | 0 | 109.5 | T586 N587 I589 Y614 A615 L618 L638 R639 V640 | I573-T586 PolarHBondContact O-N 3.05Å; I573-N587 HydrophobicContact CB-CB 4.05Å; I573-N587 HydrophobicContact CG2-CB 4.32Å; I573-N587 PolarHBondContact N-O 3.27Å; I573-N587 PolarHBondContact O-N 2.81Å; I573-N587 VanDerWaalsContact O-O 3.08Å; I573-I589 HydrophobicContact CD1-CD1 3.67Å; I573-I589 HydrophobicContact CD1-CG1 3.9Å; I573-Y614 HydrophobicContact CD1-CD1 3.6Å; I573-Y614 HydrophobicContact CD1-CE1 4.14Å; I573-A615 HydrophobicContact CD1-CB 4.22Å; I573-A615 HydrophobicContact CG2-CB 4.09Å; I573-L618 HydrophobicContact CG2-CD1 4.36Å; I573-L638 HydrophobicContact CG2-CB 3.95Å; I573-L638 HydrophobicContact CG2-CD1 4.2Å; I573-R639 WeakPolarHBondContact CA-O 3.47Å; I573-V640 HydrophobicContact CG1-CG2 4.2Å |
| 574 | G | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -159.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S584 L638 R639 | G574-S584 CarbonylContact C-O 3.45Å; G574-S584 WeakPolarHBondContact CA-O 3.23Å; G574-L638 CarbonylContact O-C 3.54Å; G574-L638 WeakPolarHBondContact O-CA 3.37Å; G574-R639 PolarHBondContact N-O 2.83Å; G574-R639 PolarHBondContact O-N 3.32Å; G574-R639 VanDerWaalsContact O-O 3.08Å |
| 575 | F | 88.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 37.3 Ų | 37.3 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159.5 | 174.8 | 61.6 | -88.9 | 0 | 0 | 0 | 110.4 | S584 T586 N636 L638 | F575-S584 PolarHBondContact N-O 3.45Å; F575-S584 PolarHBondContact O-N 3.15Å; F575-T586 HydrophobicContact CE1-CG2 4.36Å; F575-N636 HydrophobicContact CB-CB 4.11Å; F575-N636 HydrophobicContact CD1-CB 4.08Å; F575-N636 HydrophobicContact CD2-CB 3.69Å; F575-N636 HydrophobicContact CE1-CB 4.42Å; F575-N636 HydrophobicContact CE2-CB 4.06Å; F575-N636 WeakPolarHBondContact CE2-ND2 3.27Å; F575-N636 HydrophobicContact CG-CB 3.7Å; F575-N636 HydrophobicContact CZ-CB 4.4Å; F575-L638 HydrophobicContact CD1-CD2 4.19Å |
| 576 | T | 84.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.6 | 179 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | I582 C583 R639 I641 M672 | T576-I582 CarbonylContact C-O 3.51Å; T576-I582 VanDerWaalsContact CA-O 3.26Å; T576-I582 WeakPolarHBondContact CA-O 2.99Å; T576-C583 VanDerWaalsContact CG2-SG 3.57Å; T576-R639 VanDerWaalsContact OG1-CZ 3.31Å; T576-R639 PolarHBondContact OG1-NH2 2.8Å; T576-I641 HydrophobicContact CG2-CB 4.32Å; T576-I641 HydrophobicContact CG2-CG2 3.85Å; T576-M672 HydrophobicContact CG2-CB 4.4Å |
| 577 | D | 81.7 | Confident | 86.8 | Confident | 73 Ų | 73 | 28.6 Ų | 28.6 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 101.5 | 165 | -176 | -22.5 | 0 | 0 | 0 | 108.5 | A579 A580 G581 I582 | D577-A579 VanDerWaalsContact C-N 3.26Å; D577-A579 PolarHBondContact O-N 3.21Å; D577-A579 WeakPolarHBondContact OD1-CB 3.29Å; D577-A579 PolarHBondContact OD1-N 3.34Å; D577-A580 HydrophobicContact CB-CB 4.13Å; D577-A580 PolarHBondContact O-N 2.95Å; D577-A580 PolarHBondContact OD1-N 3.45Å; D577-G581 WeakPolarHBondContact O-CA 3.43Å; D577-G581 PolarHBondContact O-N 2.86Å; D577-I582 HydrophobicContact CB-CB 4.3Å; D577-I582 PolarHBondContact N-O 2.91Å; D577-I582 PolarHBondContact O-N 2.79Å |
| 578 | E | 75.3 | Confident | 87 | Confident | 143 Ų | 143 | 27.2 Ų | 27.2 | 67% | 0.668 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.6 | -179.6 | -69.3 | 178.4 | -162.7 | 0 | 0 | 112.9 | M672 | E578-M672 HydrophobicContact CB-SD 4.2Å; E578-M672 HydrophobicContact CG-SD 3.73Å |
| 579 | A | 69.6 | Low | 87 | Confident | 104 Ų | 104 | 28.5 Ų | 28.5 | 86% | 0.86 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -36.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D577 | D577-A579 VanDerWaalsContact C-N 3.26Å; D577-A579 PolarHBondContact O-N 3.21Å; D577-A579 WeakPolarHBondContact OD1-CB 3.29Å; D577-A579 PolarHBondContact OD1-N 3.34Å |
| 580 | A | 74.9 | Confident | 87 | Confident | 39 Ų | 39 | 27.6 Ų | 27.6 | 32% | 0.322 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -16.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N544 D577 I582 | N544-A580 PolarHBondContact ND2-O 2.86Å; N544-A580 VanDerWaalsContact ND2-O 3.12Å; D577-A580 HydrophobicContact CB-CB 4.13Å; D577-A580 PolarHBondContact O-N 2.95Å; D577-A580 PolarHBondContact OD1-N 3.45Å; A580-I582 HydrophobicContact CB-CB 4.35Å; A580-I582 HydrophobicContact CB-CD1 3.54Å; A580-I582 HydrophobicContact CB-CG1 3.74Å |
| 581 | G | 78.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 37.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V543 N544 R545 D577 | V543-G581 CarbonylContact C-O 3.55Å; N544-G581 PolarHBondContact N-O 2.84Å; R545-G581 PolarHBondContact N-O 2.57Å; D577-G581 WeakPolarHBondContact O-CA 3.43Å; D577-G581 PolarHBondContact O-N 2.86Å |
| 582 | I | 85.4 | Confident | 86.3 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 22% | 0.221 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.2 | -175 | -66.5 | 172 | 0 | 0 | 0 | 110 | F547 T576 D577 A580 | F547-I582 HydrophobicContact CD2-CG2 3.43Å; F547-I582 VanDerWaalsContact CD2-CG2 3.43Å; F547-I582 HydrophobicContact CE2-CD1 4.17Å; F547-I582 HydrophobicContact CE2-CG1 4.36Å; F547-I582 HydrophobicContact CE2-CG2 3.5Å; T576-I582 CarbonylContact C-O 3.51Å; T576-I582 VanDerWaalsContact CA-O 3.26Å; T576-I582 WeakPolarHBondContact CA-O 2.99Å; D577-I582 HydrophobicContact CB-CB 4.3Å; D577-I582 PolarHBondContact N-O 2.91Å; D577-I582 PolarHBondContact O-N 2.79Å; A580-I582 HydrophobicContact CB-CB 4.35Å; A580-I582 HydrophobicContact CB-CD1 3.54Å; A580-I582 HydrophobicContact CB-CG1 3.74Å |
| 583 | C | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.4 | 167.9 | -76 | 0 | 0 | 0 | 0 | 110 | V543 R545 V546 F547 T576 I641 | V543-C583 HydrophobicContact CG1-CB 3.99Å; V543-C583 VanDerWaalsContact CG2-SG 3.53Å; R545-C583 PolarHBondContact O-N 3.48Å; V546-C583 CarbonylContact C-O 3.6Å; V546-C583 VanDerWaalsContact CA-O 3.27Å; V546-C583 WeakPolarHBondContact CA-O 3.33Å; V546-C583 HydrophobicContact CG2-CB 4.27Å; F547-C583 PolarHBondContact N-O 2.64Å; T576-C583 VanDerWaalsContact CG2-SG 3.57Å; C583-I641 HydrophobicContact CB-CD1 4.36Å |
| 584 | S | 92.4 | Very high | 83.9 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.8 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | F547 G574 F575 | F547-S584 CarbonylContact O-C 3.52Å; F547-S584 WeakPolarHBondContact O-CA 3.48Å; G574-S584 CarbonylContact C-O 3.45Å; G574-S584 WeakPolarHBondContact CA-O 3.23Å; F575-S584 PolarHBondContact N-O 3.45Å; F575-S584 PolarHBondContact O-N 3.15Å |
| 585 | I | 94.4 | Very high | 82.4 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121 | -178.6 | -58 | 159.4 | 0 | 0 | 0 | 109.1 | V546 F547 L548 S549 V552 L572 I641 I674 | V546-I585 HydrophobicContact CG1-CD1 3.52Å; V546-I585 HydrophobicContact CG1-CG1 4.32Å; F547-I585 PolarHBondContact O-N 2.94Å; L548-I585 HydrophobicContact CD1-CB 3.78Å; L548-I585 HydrophobicContact CD1-CD1 3.85Å; L548-I585 HydrophobicContact CD1-CG1 4.46Å; L548-I585 HydrophobicContact CD1-CG2 3.69Å; S549-I585 PolarHBondContact N-O 3.34Å; V552-I585 HydrophobicContact CG1-CG2 3.95Å; V552-I585 HydrophobicContact CG2-CG2 4.47Å; L572-I585 HydrophobicContact CB-CD1 4.41Å; L572-I585 HydrophobicContact CB-CG1 4.37Å; L572-I585 HydrophobicContact CB-CG2 4.1Å; L572-I585 HydrophobicContact CD1-CD1 3.85Å; L572-I585 HydrophobicContact CD2-CG2 4.13Å; I585-I641 HydrophobicContact CG1-CD1 3.73Å; I585-I641 HydrophobicContact CG1-CG1 4.39Å; I585-I674 HydrophobicContact CD1-CG2 4.45Å |
| 586 | T | 90.3 | Very high | 81.2 | Confident | 46 Ų | 46 | 44 Ų | 44 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -26 | -177.6 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | S549 V552 I573 F575 L638 | S549-T586 PolarHBondContact OG-O 3.43Å; V552-T586 VanDerWaalsContact CG2-C 3.43Å; V552-T586 VanDerWaalsContact CG2-O 3.25Å; V552-T586 WeakPolarHBondContact CG2-O 3.49Å; I573-T586 PolarHBondContact O-N 3.05Å; F575-T586 HydrophobicContact CE1-CG2 4.36Å; T586-L638 WeakPolarHBondContact OG1-CD2 3.39Å |
| 587 | N | 90.8 | Very high | 79.9 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 165.1 | -178.6 | -64.8 | 84.2 | 0 | 0 | 0 | 110.4 | V552 I573 L618 H738 | V552-N587 VanDerWaalsContact CG2-CA 3.48Å; I573-N587 HydrophobicContact CB-CB 4.05Å; I573-N587 HydrophobicContact CG2-CB 4.32Å; I573-N587 PolarHBondContact N-O 3.27Å; I573-N587 PolarHBondContact O-N 2.81Å; I573-N587 VanDerWaalsContact O-O 3.08Å; N587-L618 HydrophobicContact CB-CD1 4Å; N587-H738 PolarHBondContact ND2-NE2 3.3Å |
| 588 | C | 92.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 163.4 | 174.6 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | V552 L571 L572 Q590 Y644 H738 | V552-C588 HydrophobicContact CG1-CB 3.82Å; L571-C588 CarbonylContact O-C 3.54Å; L571-C588 WeakPolarHBondContact O-CA 3.27Å; L571-C588 WeakPolarHBondContact O-CB 3.45Å; L572-C588 HydrophobicContact CD2-CB 4.36Å; C588-Q590 PolarHBondContact SG-NE2 3.44Å; C588-Y644 HydrophobicContact CB-CE1 4.35Å; C588-H738 PolarHBondContact O-CE1 3.48Å; C588-H738 VanDerWaalsContact O-CE1 3.28Å; C588-H738 PolarHBondContact O-ND1 3.45Å |
| 589 | I | 90.1 | Very high | 77.7 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.5 | 173.5 | -60.4 | 173.6 | 0 | 0 | 0 | 108.1 | G570 L571 I573 L591 A611 Y614 | G570-I589 CarbonylContact C-O 3.57Å; G570-I589 WeakPolarHBondContact CA-O 3.2Å; L571-I589 HydrophobicContact CB-CB 4.41Å; L571-I589 PolarHBondContact N-O 2.94Å; L571-I589 PolarHBondContact O-N 2.95Å; I573-I589 HydrophobicContact CD1-CD1 3.67Å; I573-I589 HydrophobicContact CD1-CG1 3.9Å; I589-L591 HydrophobicContact CG2-CD2 3.92Å; I589-A611 HydrophobicContact CD1-CB 3.43Å; I589-A611 VanDerWaalsContact CD1-CB 3.43Å; I589-Y614 HydrophobicContact CD1-CD1 3.74Å; I589-Y614 HydrophobicContact CD1-CG 4.29Å; I589-Y614 HydrophobicContact CG1-CD1 3.89Å; I589-Y614 HydrophobicContact CG1-CE1 4.23Å |
| 590 | Q | 90.6 | Very high | 77 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 131.9 | 174 | -62.2 | 64.1 | 49.8 | 0 | 0 | 108 | I555 H559 C588 L742 | I555-Q590 HydrophobicContact CG2-CG 4.46Å; H559-Q590 HydrophobicContact CB-CG 4.47Å; C588-Q590 PolarHBondContact SG-NE2 3.44Å; Q590-L742 HydrophobicContact CB-CD1 4.42Å; Q590-L742 HydrophobicContact CG-CB 4.14Å; Q590-L742 HydrophobicContact CG-CD1 3.96Å |
| 591 | L | 86.7 | Confident | 76 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.8 | -178.3 | -62.3 | -179.1 | 0 | 0 | 0 | 111.3 | M569 L571 I589 L603 V607 | M569-L591 HydrophobicContact CE-CD1 3.84Å; M569-L591 HydrophobicContact CG-CB 3.97Å; M569-L591 HydrophobicContact CG-CD1 4.3Å; M569-L591 PolarHBondContact O-N 2.84Å; M569-L591 VanDerWaalsContact O-N 3.08Å; M569-L591 HydrophobicContact SD-CD1 4.47Å; L571-L591 HydrophobicContact CG-CD1 4.13Å; I589-L591 HydrophobicContact CG2-CD2 3.92Å; L591-L603 HydrophobicContact CD1-CD2 4.26Å; L591-V607 HydrophobicContact CD1-CG1 3.61Å; L591-V607 HydrophobicContact CD2-CG1 3.14Å; L591-V607 HydrophobicContact CG-CG1 3.94Å |
| 592 | K | 80.6 | Confident | 75 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | trans | -66.5 | 135.2 | 171.1 | -168.4 | 173.3 | -163.6 | 165.6 | 0 | 110.8 | L594 V745 D748 E749 D752 | K592-L594 PolarHBondContact O-N 2.7Å; K592-V745 HydrophobicContact CB-CG1 4.41Å; K592-D748 WeakPolarHBondContact CE-O 3.42Å; K592-D748 VanDerWaalsContact NZ-C 3.31Å; K592-D748 PolarHBondContact NZ-O 2.91Å; K592-E749 WeakPolarHBondContact CA-OE1 3.43Å; K592-E749 HydrophobicContact CD-CG 4.33Å; K592-E749 HydrophobicContact CG-CG 3.54Å; K592-D752 WeakPolarHBondContact CE-OD2 3.29Å; K592-D752 IonicContact NZ-OD1 2.98Å; K592-D752 PolarHBondContact NZ-OD1 2.89Å; K592-D752 IonicContact NZ-OD2 3.56Å; K592-D752 PolarHBondContact NZ-OD2 2.9Å | ||
| 593 | R | 73.2 | Confident | 74.1 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | trans | -69.7 | 94.5 | 172.8 | -67.5 | 177.2 | -70.9 | -175.6 | -12.4 | 110.4 | S563 E566 E749 | S563-R593 PolarHBondContact OG-NH1 3.26Å; E566-R593 IonicContact OE2-CZ 2.61Å; E566-R593 IonicContact OE2-NE 2.58Å; E566-R593 IonicContact OE2-NH1 2.88Å; E566-R593 PolarHBondContact OE2-NH1 2.94Å; R593-E749 WeakPolarHBondContact CB-OE1 3.38Å; R593-E749 WeakPolarHBondContact CG-OE1 3.41Å; R593-E749 IonicContact CZ-OE2 3.75Å; R593-E749 PolarHBondContact N-OE1 2.86Å; R593-E749 IonicContact NE-OE1 3.82Å; R593-E749 PolarHBondContact NE-OE1 2.84Å; R593-E749 IonicContact NE-OE2 3.72Å; R593-E749 PolarHBondContact NE-OE2 3.33Å; R593-E749 IonicContact NH2-OE2 2.64Å; R593-E749 PolarHBondContact NH2-OE2 3.45Å | ||
| 594 | L | 61.1 | Low | 72.8 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | trans | -81 | -30.3 | 176.6 | -66 | 171.5 | 0 | 0 | 0 | 112.8 | K592 M604 | K592-L594 PolarHBondContact O-N 2.7Å; L594-M604 HydrophobicContact CD1-CG 3.73Å; L594-M604 HydrophobicContact CD1-SD 4.3Å | ||
| 595 | V | 60 | Low | 71.4 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | trans | -126.1 | 108.2 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | K597 | V595-K597 VanDerWaalsContact C-N 3.25Å; V595-K597 HydrophobicContact CG1-CB 4.05Å; V595-K597 HydrophobicContact CG1-CD 4.38Å; V595-K597 HydrophobicContact CG1-CG 4.07Å; V595-K597 PolarHBondContact O-N 3.47Å; V595-K597 VanDerWaalsContact O-N 3.09Å | ||
| 596 | K | 62.6 | Low | 70 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | trans | -85.9 | 55.8 | 178 | -60.2 | -175.4 | 174.5 | -165.7 | 0 | 111.8 | ||||
| 597 | K | 58.5 | Low | 69.1 | Low | 140 Ų | 140 | 60.5 Ų | 60.5 | 61% | 0.609 | 29% | 0.285 | S | S | * | . | trans | -118.1 | 136.2 | 174.4 | -72.3 | -172.6 | 177.7 | -175.8 | 0 | 109.6 | V595 R600 | V595-K597 VanDerWaalsContact C-N 3.25Å; V595-K597 HydrophobicContact CG1-CB 4.05Å; V595-K597 HydrophobicContact CG1-CD 4.38Å; V595-K597 HydrophobicContact CG1-CG 4.07Å; V595-K597 PolarHBondContact O-N 3.47Å; V595-K597 VanDerWaalsContact O-N 3.09Å; K597-R600 HydrophobicContact CB-CB 4.17Å; K597-R600 PolarHBondContact O-N 2.78Å | ||
| 598 | K | 56.4 | Low | 68.2 | Low | 158 Ų | 158 | 60.3 Ų | 60.3 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 138 | 174.9 | -164.7 | 175.6 | -179.7 | 178.1 | 0 | 110.4 | R600 | K598-R600 PolarHBondContact O-N 3.31Š|
| 599 | D | 54 | Low | 67 | Low | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 17.8 | 178.5 | -49.2 | -36.3 | 0 | 0 | 0 | 115.2 | E567 V657 | E567-D599 PolarHBondContact OE2-N 2.75Å; D599-V657 HydrophobicContact CB-CB 4.41Å; D599-V657 HydrophobicContact CB-CG2 4.18Å; D599-V657 WeakPolarHBondContact O-CG1 3.41Å |
| 600 | R | 54.6 | Low | 66.3 | Low | 113 Ų | 113 | 67.6 Ų | 67.6 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | trans | -121.1 | 80.7 | -178.9 | -162 | 177.9 | -173.7 | -147.8 | -0.8 | 112.9 | K597 K598 E602 | K597-R600 HydrophobicContact CB-CB 4.17Å; K597-R600 PolarHBondContact O-N 2.78Å; K598-R600 PolarHBondContact O-N 3.31Å; R600-E602 IonicContact CZ-OE1 3.7Å; R600-E602 VanDerWaalsContact CZ-OE1 3.27Å; R600-E602 IonicContact NE-OE1 3.6Å; R600-E602 PolarHBondContact NE-OE1 3.15Å; R600-E602 IonicContact NH2-OE1 3.96Å; R600-E602 PolarHBondContact NH2-OE1 3.18Å; R600-E602 IonicContact NH2-OE2 3.96Å; R600-E602 PolarHBondContact NH2-OE2 3.26Å | ||
| 601 | V | 54.9 | Low | 65.7 | Low | 14 Ų | 14 | 67.4 Ų | 67.4 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | trans | -105.8 | 93 | 179 | -167 | 0 | 0 | 0 | 0 | 109.3 | M569 W643 | M569-V601 HydrophobicContact CB-CG1 3.68Å; M569-V601 HydrophobicContact CE-CG1 3.4Å; M569-V601 HydrophobicContact CG-CG1 4.13Å; M569-V601 HydrophobicContact SD-CG1 3.44Å; M569-V601 WeakPolarHBondContact SD-CG1 3.28Å; V601-W643 HydrophobicContact CB-CZ3 4.09Å; V601-W643 HydrophobicContact CG1-CE3 4.25Å; V601-W643 HydrophobicContact CG1-CZ3 3.79Å | ||
| 602 | E | 57.6 | Low | 65.2 | Low | 92 Ų | 92 | 67.5 Ų | 67.5 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | trans | -113.1 | 124.5 | 178.6 | -71.7 | 175.4 | -146.6 | 0 | 0 | 110.3 | R600 M604 | R600-E602 IonicContact CZ-OE1 3.7Å; R600-E602 VanDerWaalsContact CZ-OE1 3.27Å; R600-E602 IonicContact NE-OE1 3.6Å; R600-E602 PolarHBondContact NE-OE1 3.15Å; R600-E602 IonicContact NH2-OE1 3.96Å; R600-E602 PolarHBondContact NH2-OE1 3.18Å; R600-E602 IonicContact NH2-OE2 3.96Å; R600-E602 PolarHBondContact NH2-OE2 3.26Å; E602-M604 PolarHBondContact O-N 3.23Å | ||
| 603 | L | 65.4 | Low | 65.1 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -69.6 | 117.2 | 170.8 | -100 | 133.7 | 0 | 0 | 0 | 111.3 | L410 M569 L571 L591 V607 L608 W643 Y665 | L410-L603 WeakPolarHBondContact CD1-O 3.36Å; M569-L603 HydrophobicContact CE-CG 4.12Å; L571-L603 HydrophobicContact CD1-CD2 3.66Å; L571-L603 HydrophobicContact CD2-CD1 3.64Å; L571-L603 HydrophobicContact CD2-CD2 3.58Å; L571-L603 HydrophobicContact CD2-CG 4.2Å; L571-L603 HydrophobicContact CG-CD2 3.82Å; L591-L603 HydrophobicContact CD1-CD2 4.26Å; L603-V607 HydrophobicContact CD2-CG1 4.34Å; L603-L608 HydrophobicContact CD2-CB 4.3Å; L603-L608 HydrophobicContact CD2-CD1 4.37Å; L603-W643 HydrophobicContact CD1-CB 4.35Å; L603-Y665 HydrophobicContact CD1-CE2 3.77Å; L603-Y665 PolarHBondContact N-OH 2.64Å; L603-Y665 VanDerWaalsContact N-OH 3.12Å | ||
| 604 | M | 62.7 | Low | 65.5 | Low | 80 Ų | 80 | 69.7 Ų | 69.7 | 39% | 0.394 | 34% | 0.338 | S | S | . | . | trans | -71.4 | 143.3 | 170 | -60.2 | -105.2 | 92.5 | 0 | 0 | 109.8 | L594 E602 E606 V607 L608 | L594-M604 HydrophobicContact CD1-CG 3.73Å; L594-M604 HydrophobicContact CD1-SD 4.3Å; E602-M604 PolarHBondContact O-N 3.23Å; M604-E606 VanDerWaalsContact C-N 3.27Å; M604-E606 PolarHBondContact O-N 3.38Å; M604-V607 HydrophobicContact CB-CB 4.46Å; M604-V607 HydrophobicContact CB-CG2 4.08Å; M604-V607 WeakPolarHBondContact O-CB 3.28Å; M604-V607 PolarHBondContact O-N 3.24Å; M604-L608 PolarHBondContact O-N 2.91Å | ||
| 605 | P | 63.1 | Low | 66.5 | Low | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.7 | -30 | -174.8 | 20.2 | -22.2 | 0 | 0 | 0 | 113 | L410 I415 L608 S609 | L410-P605 HydrophobicContact CB-CB 3.91Å; L410-P605 HydrophobicContact CB-CG 4.18Å; L410-P605 HydrophobicContact CD1-CB 3.49Å; L410-P605 VanDerWaalsContact CD1-CB 3.49Å; L410-P605 HydrophobicContact CD1-CG 3.72Å; L410-P605 VanDerWaalsContact CD1-N 3.31Å; L410-P605 HydrophobicContact CD2-CB 4.33Å; L410-P605 HydrophobicContact CD2-CG 3.76Å; L410-P605 HydrophobicContact CG-CB 4.05Å; L410-P605 HydrophobicContact CG-CG 4.03Å; I415-P605 HydrophobicContact CD1-CG 4.15Å; P605-L608 PolarHBondContact O-N 2.63Å; P605-S609 PolarHBondContact O-N 2.95Å |
| 606 | E | 64.4 | Low | 67.4 | Low | 118 Ų | 118 | 64.9 Ų | 64.9 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62 | -48.3 | 177.3 | -60.4 | 74.2 | -156.9 | 0 | 0 | 110.1 | M604 L608 S609 E610 | M604-E606 VanDerWaalsContact C-N 3.27Å; M604-E606 PolarHBondContact O-N 3.38Å; E606-L608 VanDerWaalsContact C-N 3.31Å; E606-L608 PolarHBondContact O-N 2.69Å; E606-S609 WeakPolarHBondContact O-CA 3.47Å; E606-S609 VanDerWaalsContact O-CB 3.3Å; E606-S609 WeakPolarHBondContact O-CB 3.43Å; E606-S609 PolarHBondContact O-N 2.68Å; E606-E610 PolarHBondContact O-N 3.4Å |
| 607 | V | 70.7 | Confident | 68.4 | Low | 29 Ų | 29 | 64.5 Ų | 64.5 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.6 | L591 L603 M604 S609 E610 A611 | L591-V607 HydrophobicContact CD1-CG1 3.61Å; L591-V607 HydrophobicContact CD2-CG1 3.14Å; L591-V607 HydrophobicContact CG-CG1 3.94Å; L603-V607 HydrophobicContact CD2-CG1 4.34Å; M604-V607 HydrophobicContact CB-CB 4.46Å; M604-V607 HydrophobicContact CB-CG2 4.08Å; M604-V607 WeakPolarHBondContact O-CB 3.28Å; M604-V607 PolarHBondContact O-N 3.24Å; V607-S609 VanDerWaalsContact C-N 3.34Å; V607-E610 PolarHBondContact O-N 3.43Å; V607-A611 WeakPolarHBondContact O-CB 3.48Å; V607-A611 PolarHBondContact O-N 2.84Å |
| 608 | L | 72.6 | Confident | 69.5 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 176.5 | -174.1 | 72.9 | 0 | 0 | 0 | 112.2 | S405 I406 P407 L571 L603 M604 P605 E606 A611 I612 V640 F669 W673 | S405-L608 WeakPolarHBondContact O-CD2 3.38Å; I406-L608 HydrophobicContact CG1-CD2 4.48Å; P407-L608 HydrophobicContact CG-CD2 4.07Å; L571-L608 HydrophobicContact CD1-CD1 4Å; L571-L608 HydrophobicContact CD2-CD1 4.47Å; L603-L608 HydrophobicContact CD2-CB 4.3Å; L603-L608 HydrophobicContact CD2-CD1 4.37Å; M604-L608 PolarHBondContact O-N 2.91Å; P605-L608 PolarHBondContact O-N 2.63Å; E606-L608 VanDerWaalsContact C-N 3.31Å; E606-L608 PolarHBondContact O-N 2.69Å; L608-A611 PolarHBondContact O-N 3.23Å; L608-I612 HydrophobicContact CD1-CD1 4.39Å; L608-I612 HydrophobicContact CD2-CD1 4.34Å; L608-I612 HydrophobicContact CG-CD1 3.92Å; L608-I612 HydrophobicContact CG-CG1 4.48Å; L608-I612 VanDerWaalsContact O-CG1 3.29Å; L608-I612 WeakPolarHBondContact O-CG1 3.44Å; L608-I612 PolarHBondContact O-N 3.24Å; L608-V640 HydrophobicContact CD1-CB 4.42Å; L608-V640 HydrophobicContact CD1-CG1 4.04Å; L608-V640 HydrophobicContact CD1-CG2 4.5Å; L608-F669 HydrophobicContact CD2-CD1 4.4Å; L608-F669 HydrophobicContact CD2-CE1 3.38Å; L608-F669 HydrophobicContact CD2-CZ 3.9Å; L608-W673 HydrophobicContact CD1-CH2 4.41Å |
| 609 | S | 68.2 | Low | 70.6 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.2 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | P605 E606 V607 I612 T613 | P605-S609 PolarHBondContact O-N 2.95Å; E606-S609 WeakPolarHBondContact O-CA 3.47Å; E606-S609 VanDerWaalsContact O-CB 3.3Å; E606-S609 WeakPolarHBondContact O-CB 3.43Å; E606-S609 PolarHBondContact O-N 2.68Å; V607-S609 VanDerWaalsContact C-N 3.34Å; S609-I612 PolarHBondContact O-N 3.43Å; S609-T613 PolarHBondContact O-N 2.75Å; S609-T613 PolarHBondContact O-OG1 2.84Å |
| 610 | E | 74.1 | Confident | 71.7 | Confident | 136 Ų | 136 | 52.4 Ų | 52.4 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.6 | -46.1 | 173.4 | -70.5 | 174.7 | -173.7 | 0 | 0 | 111.1 | E606 V607 I612 T613 Y614 | E606-E610 PolarHBondContact O-N 3.4Å; V607-E610 PolarHBondContact O-N 3.43Å; E610-I612 VanDerWaalsContact C-N 3.33Å; E610-I612 PolarHBondContact O-N 3.48Å; E610-T613 WeakPolarHBondContact O-CA 3.21Å; E610-T613 WeakPolarHBondContact O-CB 3.39Å; E610-T613 PolarHBondContact O-N 2.81Å; E610-Y614 PolarHBondContact O-N 3.26Å |
| 611 | A | 78.4 | Confident | 72.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L571 I589 V607 L608 Y614 A615 V640 | L571-A611 HydrophobicContact CD1-CB 3.31Å; I589-A611 HydrophobicContact CD1-CB 3.43Å; I589-A611 VanDerWaalsContact CD1-CB 3.43Å; V607-A611 WeakPolarHBondContact O-CB 3.48Å; V607-A611 PolarHBondContact O-N 2.84Å; L608-A611 PolarHBondContact O-N 3.23Å; A611-Y614 PolarHBondContact O-N 2.96Å; A611-A615 PolarHBondContact O-N 3.05Å; A611-V640 HydrophobicContact CB-CG2 3.88Å |
| 612 | I | 75.5 | Confident | 73.2 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -34.4 | 176.2 | -62.9 | 164.8 | 0 | 0 | 0 | 110.9 | K402 L608 S609 E610 Y614 A615 D616 V640 | K402-I612 HydrophobicContact CD-CD1 4.13Å; K402-I612 HydrophobicContact CD-CG2 4.26Å; L608-I612 HydrophobicContact CD1-CD1 4.39Å; L608-I612 HydrophobicContact CD2-CD1 4.34Å; L608-I612 HydrophobicContact CG-CD1 3.92Å; L608-I612 HydrophobicContact CG-CG1 4.48Å; L608-I612 VanDerWaalsContact O-CG1 3.29Å; L608-I612 WeakPolarHBondContact O-CG1 3.44Å; L608-I612 PolarHBondContact O-N 3.24Å; S609-I612 PolarHBondContact O-N 3.43Å; E610-I612 VanDerWaalsContact C-N 3.33Å; E610-I612 PolarHBondContact O-N 3.48Å; I612-Y614 VanDerWaalsContact C-N 3.31Å; I612-Y614 PolarHBondContact O-N 2.99Å; I612-A615 PolarHBondContact O-N 2.81Å; I612-D616 PolarHBondContact O-N 2.89Å; I612-V640 HydrophobicContact CG1-CB 4.41Å; I612-V640 HydrophobicContact CG1-CG2 3.69Å |
| 613 | T | 78.3 | Confident | 73.3 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | S609 E610 D616 Q617 | S609-T613 PolarHBondContact O-N 2.75Å; S609-T613 PolarHBondContact O-OG1 2.84Å; E610-T613 WeakPolarHBondContact O-CA 3.21Å; E610-T613 WeakPolarHBondContact O-CB 3.39Å; E610-T613 PolarHBondContact O-N 2.81Å; T613-D616 WeakPolarHBondContact O-CB 3.31Å; T613-D616 PolarHBondContact O-N 2.62Å; T613-Q617 WeakPolarHBondContact O-CG 3.13Å; T613-Q617 PolarHBondContact O-N 3.4Å |
| 614 | Y | 82.8 | Confident | 73.3 | Confident | 71 Ų | 71 | 55 Ų | 55 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 173.7 | -179.2 | -111.1 | 0 | 0 | 0 | 112.3 | I573 I589 E610 A611 I612 D616 Q617 L618 | I573-Y614 HydrophobicContact CD1-CD1 3.6Å; I573-Y614 HydrophobicContact CD1-CE1 4.14Å; I589-Y614 HydrophobicContact CD1-CD1 3.74Å; I589-Y614 HydrophobicContact CD1-CG 4.29Å; I589-Y614 HydrophobicContact CG1-CD1 3.89Å; I589-Y614 HydrophobicContact CG1-CE1 4.23Å; E610-Y614 PolarHBondContact O-N 3.26Å; A611-Y614 PolarHBondContact O-N 2.96Å; I612-Y614 VanDerWaalsContact C-N 3.31Å; I612-Y614 PolarHBondContact O-N 2.99Å; Y614-D616 VanDerWaalsContact C-N 3.32Å; Y614-D616 PolarHBondContact O-N 3.41Å; Y614-Q617 WeakPolarHBondContact O-CB 3.42Å; Y614-Q617 PolarHBondContact O-N 2.63Å; Y614-Q617 VanDerWaalsContact O-N 3.14Å; Y614-L618 HydrophobicContact CD1-CD1 4.01Å; Y614-L618 HydrophobicContact CD1-CG 4.43Å; Y614-L618 HydrophobicContact CE1-CD1 3.59Å; Y614-L618 HydrophobicContact CE1-CG 4.12Å; Y614-L618 HydrophobicContact CE2-CD2 4.41Å; Y614-L618 HydrophobicContact CE2-CG 4.44Å; Y614-L618 WeakPolarHBondContact O-CG 3.37Å; Y614-L618 PolarHBondContact O-N 2.91Å |
| 615 | A | 82.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I573 A611 I612 L618 N619 | I573-A615 HydrophobicContact CD1-CB 4.22Å; I573-A615 HydrophobicContact CG2-CB 4.09Å; A611-A615 PolarHBondContact O-N 3.05Å; I612-A615 PolarHBondContact O-N 2.81Å; A615-L618 PolarHBondContact O-N 3.5Å; A615-N619 PolarHBondContact O-N 3.49Å; A615-N619 PolarHBondContact O-ND2 2.84Å; A615-N619 VanDerWaalsContact O-ND2 3.13Å |
| 616 | D | 78.4 | Confident | 73.9 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173.9 | -80.9 | -8.2 | 0 | 0 | 0 | 111.8 | K426 I612 T613 Y614 N619 A620 | K426-D616 IonicContact NZ-OD2 2.91Å; K426-D616 PolarHBondContact NZ-OD2 3.49Å; I612-D616 PolarHBondContact O-N 2.89Å; T613-D616 WeakPolarHBondContact O-CB 3.31Å; T613-D616 PolarHBondContact O-N 2.62Å; Y614-D616 VanDerWaalsContact C-N 3.32Å; Y614-D616 PolarHBondContact O-N 3.41Å; D616-N619 WeakPolarHBondContact O-CB 3.44Å; D616-N619 PolarHBondContact O-N 2.92Å; D616-A620 PolarHBondContact O-N 3.23Å |
| 617 | Q | 83.9 | Confident | 74.3 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.9 | -70.8 | 170.5 | -1.4 | 0 | 0 | 111.7 | T613 Y614 N619 A620 V621 | T613-Q617 WeakPolarHBondContact O-CG 3.13Å; T613-Q617 PolarHBondContact O-N 3.4Å; Y614-Q617 WeakPolarHBondContact O-CB 3.42Å; Y614-Q617 PolarHBondContact O-N 2.63Å; Y614-Q617 VanDerWaalsContact O-N 3.14Å; Q617-N619 VanDerWaalsContact C-N 3.25Å; Q617-N619 PolarHBondContact O-N 3.17Å; Q617-A620 WeakPolarHBondContact O-CB 3.33Å; Q617-A620 PolarHBondContact O-N 3.49Å; Q617-A620 VanDerWaalsContact O-N 3.07Å; Q617-V621 WeakPolarHBondContact O-CG2 3.47Å; Q617-V621 PolarHBondContact O-N 3.28Å |
| 618 | L | 81.8 | Confident | 74.4 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.7 | -31.9 | 175.4 | -68.6 | 177 | 0 | 0 | 0 | 112.8 | I573 N587 Y614 A615 A622 R633 L638 | I573-L618 HydrophobicContact CG2-CD1 4.36Å; N587-L618 HydrophobicContact CB-CD1 4Å; Y614-L618 HydrophobicContact CD1-CD1 4.01Å; Y614-L618 HydrophobicContact CD1-CG 4.43Å; Y614-L618 HydrophobicContact CE1-CD1 3.59Å; Y614-L618 HydrophobicContact CE1-CG 4.12Å; Y614-L618 HydrophobicContact CE2-CD2 4.41Å; Y614-L618 HydrophobicContact CE2-CG 4.44Å; Y614-L618 WeakPolarHBondContact O-CG 3.37Å; Y614-L618 PolarHBondContact O-N 2.91Å; A615-L618 PolarHBondContact O-N 3.5Å; L618-A622 PolarHBondContact O-N 3.1Å; L618-R633 PolarHBondContact O-NH2 3.14Å; L618-L638 HydrophobicContact CB-CD1 3.92Å; L618-L638 HydrophobicContact CD1-CD1 4.05Å |
| 619 | N | 78.9 | Confident | 74.1 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 171.8 | -72.6 | -41.7 | 0 | 0 | 0 | 111.7 | A615 D616 Q617 A622 S623 R633 L638 | A615-N619 PolarHBondContact O-N 3.49Å; A615-N619 PolarHBondContact O-ND2 2.84Å; A615-N619 VanDerWaalsContact O-ND2 3.13Å; D616-N619 WeakPolarHBondContact O-CB 3.44Å; D616-N619 PolarHBondContact O-N 2.92Å; Q617-N619 VanDerWaalsContact C-N 3.25Å; Q617-N619 PolarHBondContact O-N 3.17Å; N619-A622 PolarHBondContact O-N 3.41Å; N619-S623 PolarHBondContact O-N 3.33Å; N619-R633 WeakPolarHBondContact OD1-CD 3.24Å; N619-R633 PolarHBondContact OD1-NE 3.34Å; N619-L638 PolarHBondContact ND2-N 3.15Å; N619-L638 PolarHBondContact ND2-O 3.36Å; N619-L638 WeakPolarHBondContact OD1-CB 3.4Å; N619-L638 PolarHBondContact OD1-N 3.47Å |
| 620 | A | 77.7 | Confident | 74.2 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D616 Q617 A622 S623 | D616-A620 PolarHBondContact O-N 3.23Å; Q617-A620 WeakPolarHBondContact O-CB 3.33Å; Q617-A620 PolarHBondContact O-N 3.49Å; Q617-A620 VanDerWaalsContact O-N 3.07Å; A620-A622 VanDerWaalsContact C-N 3.33Å; A620-A622 PolarHBondContact O-N 3.2Å; A620-S623 VanDerWaalsContact O-CB 3.28Å; A620-S623 WeakPolarHBondContact O-CB 3.44Å; A620-S623 PolarHBondContact O-N 3.17Å; A620-S623 PolarHBondContact O-OG 2.83Å |
| 621 | V | 74.4 | Confident | 74.3 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 58% | 0.582 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | Q617 S623 T624 | Q617-V621 WeakPolarHBondContact O-CG2 3.47Å; Q617-V621 PolarHBondContact O-N 3.28Å; V621-S623 PolarHBondContact O-N 3.03Å; V621-S623 VanDerWaalsContact O-N 3.17Å; V621-T624 PolarHBondContact O-N 2.74Å; V621-T624 PolarHBondContact O-OG1 3.3Å |
| 622 | A | 67.3 | Low | 73.9 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 13% | 0.132 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.9 | -17.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L618 N619 A620 T624 A625 R633 | L618-A622 PolarHBondContact O-N 3.1Å; N619-A622 PolarHBondContact O-N 3.41Å; A620-A622 VanDerWaalsContact C-N 3.33Å; A620-A622 PolarHBondContact O-N 3.2Å; A622-T624 PolarHBondContact O-N 2.95Å; A622-A625 WeakPolarHBondContact O-CB 3.4Å; A622-A625 PolarHBondContact O-N 3.32Å; A622-R633 HydrophobicContact CB-CB 4.02Å; A622-R633 HydrophobicContact CB-CG 3.79Å |
| 623 | S | 59.2 | Low | 74 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.2 | 176.4 | 78.9 | 0 | 0 | 0 | 0 | 113.7 | N619 A620 V621 R630 | N619-S623 PolarHBondContact O-N 3.33Å; A620-S623 VanDerWaalsContact O-CB 3.28Å; A620-S623 WeakPolarHBondContact O-CB 3.44Å; A620-S623 PolarHBondContact O-N 3.17Å; A620-S623 PolarHBondContact O-OG 2.83Å; V621-S623 PolarHBondContact O-N 3.03Å; V621-S623 VanDerWaalsContact O-N 3.17Å; S623-R630 PolarHBondContact O-NH1 3.04Å |
| 624 | T | 64 | Low | 73.7 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.5 | 174.5 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | V621 A622 | V621-T624 PolarHBondContact O-N 2.74Å; V621-T624 PolarHBondContact O-OG1 3.3Å; A622-T624 PolarHBondContact O-N 2.95Å |
| 625 | A | 67.9 | Low | 73.3 | Confident | 49 Ų | 49 | 84.1 Ų | 84.1 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -78.4 | -178.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A622 A629 | A622-A625 WeakPolarHBondContact O-CB 3.4Å; A622-A625 PolarHBondContact O-N 3.32Å; A625-A629 HydrophobicContact CB-CB 3.73Å |
| 626 | S | 70.9 | Confident | 73.1 | Confident | 78 Ų | 78 | 87.2 Ų | 87.2 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | trans | -52.4 | 151.1 | 176.9 | 67.2 | 0 | 0 | 0 | 0 | 112 | R628 A629 R630 | S626-R628 PolarHBondContact O-N 3.08Å; S626-R628 VanDerWaalsContact O-N 3.09Å; S626-A629 WeakPolarHBondContact O-CA 3.4Å; S626-A629 WeakPolarHBondContact O-CB 3.2Å; S626-A629 PolarHBondContact O-N 2.95Å; S626-A629 PolarHBondContact OG-N 3.09Å; S626-R630 PolarHBondContact O-N 3.44Å | ||
| 627 | E | 73.5 | Confident | 73.2 | Confident | 155 Ų | 155 | 87.4 Ų | 87.4 | 72% | 0.724 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -54.6 | -34.9 | -177.8 | -171.7 | 166.4 | -171.1 | 0 | 0 | 112.5 | R630 N631 | E627-R630 PolarHBondContact O-N 2.92Å; E627-N631 WeakPolarHBondContact O-CB 3.22Å; E627-N631 PolarHBondContact O-N 3.42Å; E627-N631 PolarHBondContact O-ND2 3.33Å |
| 628 | R | 71.9 | Confident | 73.2 | Confident | 186 Ų | 186 | 82.3 Ų | 82.3 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.8 | -51.3 | 171.9 | -175.6 | 176.7 | 177.2 | 167 | 2.2 | 112.4 | S626 R630 N631 E632 | S626-R628 PolarHBondContact O-N 3.08Å; S626-R628 VanDerWaalsContact O-N 3.09Å; R628-R630 VanDerWaalsContact C-N 3.29Å; R628-R630 PolarHBondContact O-N 3.43Å; R628-N631 PolarHBondContact O-N 3.21Å; R628-E632 WeakPolarHBondContact CG-OE1 3.44Å; R628-E632 IonicContact CZ-OE1 3.13Å; R628-E632 IonicContact NE-OE1 2.73Å; R628-E632 PolarHBondContact NE-OE1 3.28Å; R628-E632 VanDerWaalsContact NE-OE1 3.08Å; R628-E632 IonicContact NH2-OE1 3.14Å; R628-E632 WeakPolarHBondContact O-CB 3.46Å; R628-E632 WeakPolarHBondContact O-CG 3.46Å; R628-E632 PolarHBondContact O-N 2.84Å |
| 629 | A | 67.9 | Low | 73.4 | Confident | 31 Ų | 31 | 85.8 Ų | 85.8 | 26% | 0.256 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A625 S626 E632 R633 | A625-A629 HydrophobicContact CB-CB 3.73Å; S626-A629 WeakPolarHBondContact O-CA 3.4Å; S626-A629 WeakPolarHBondContact O-CB 3.2Å; S626-A629 PolarHBondContact O-N 2.95Å; S626-A629 PolarHBondContact OG-N 3.09Å; A629-E632 PolarHBondContact O-N 3.48Å; A629-R633 WeakPolarHBondContact O-CB 3.38Å; A629-R633 PolarHBondContact O-N 3.33Å |
| 630 | R | 69.9 | Low | 73.8 | Confident | 122 Ų | 122 | 85 Ų | 85 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.3 | -173.7 | 175.3 | -179.9 | 149.7 | -6.3 | 112 | S623 S626 E627 R628 R633 Q634 | S623-R630 PolarHBondContact O-NH1 3.04Å; S626-R630 PolarHBondContact O-N 3.44Å; E627-R630 PolarHBondContact O-N 2.92Å; R628-R630 VanDerWaalsContact C-N 3.29Å; R628-R630 PolarHBondContact O-N 3.43Å; R630-R633 PolarHBondContact O-N 3.32Å; R630-Q634 WeakPolarHBondContact O-CB 3.17Å; R630-Q634 WeakPolarHBondContact O-CG 3.31Å; R630-Q634 PolarHBondContact O-N 3.19Å |
| 631 | N | 75.1 | Confident | 74.3 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 177 | -73.1 | -21.6 | 0 | 0 | 0 | 111.8 | E627 R628 Q634 R635 | E627-N631 WeakPolarHBondContact O-CB 3.22Å; E627-N631 PolarHBondContact O-N 3.42Å; E627-N631 PolarHBondContact O-ND2 3.33Å; R628-N631 PolarHBondContact O-N 3.21Å; N631-Q634 PolarHBondContact O-N 3Å; N631-R635 WeakPolarHBondContact O-CG 3.23Å; N631-R635 PolarHBondContact O-N 2.87Å; N631-R635 VanDerWaalsContact O-N 3.15Å |
| 632 | E | 71.1 | Confident | 75.1 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.8 | -75.3 | 173.3 | -169.3 | 0 | 0 | 111.3 | R628 A629 Q634 R635 N636 | R628-E632 WeakPolarHBondContact CG-OE1 3.44Å; R628-E632 IonicContact CZ-OE1 3.13Å; R628-E632 IonicContact NE-OE1 2.73Å; R628-E632 PolarHBondContact NE-OE1 3.28Å; R628-E632 VanDerWaalsContact NE-OE1 3.08Å; R628-E632 IonicContact NH2-OE1 3.14Å; R628-E632 WeakPolarHBondContact O-CB 3.46Å; R628-E632 WeakPolarHBondContact O-CG 3.46Å; R628-E632 PolarHBondContact O-N 2.84Å; A629-E632 PolarHBondContact O-N 3.48Å; E632-Q634 PolarHBondContact O-N 3.36Å; E632-R635 PolarHBondContact O-N 2.88Å; E632-N636 PolarHBondContact O-N 3.15Å |
| 633 | R | 76 | Confident | 76.4 | Confident | 61 Ų | 61 | 77 Ų | 77 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.1 | -167.9 | 70.6 | 110.8 | -154 | 2 | 113.2 | L618 N619 A622 A629 R630 R635 N636 P637 L638 | L618-R633 PolarHBondContact O-NH2 3.14Å; N619-R633 WeakPolarHBondContact OD1-CD 3.24Å; N619-R633 PolarHBondContact OD1-NE 3.34Å; A622-R633 HydrophobicContact CB-CB 4.02Å; A622-R633 HydrophobicContact CB-CG 3.79Å; A629-R633 WeakPolarHBondContact O-CB 3.38Å; A629-R633 PolarHBondContact O-N 3.33Å; R630-R633 PolarHBondContact O-N 3.32Å; R633-R635 VanDerWaalsContact C-N 3.29Å; R633-R635 PolarHBondContact O-N 3Å; R633-N636 CarbonylContact O-C 3.52Å; R633-N636 PolarHBondContact O-N 2.95Å; R633-P637 WeakPolarHBondContact O-CA 3.45Å; R633-L638 VanDerWaalsContact CZ-CG 3.45Å |
| 634 | Q | 72.1 | Confident | 78.1 | Confident | 136 Ų | 136 | 74.7 Ų | 74.7 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 174.3 | -85.8 | -175.2 | -10.3 | 0 | 0 | 112.5 | R630 N631 E632 | R630-Q634 WeakPolarHBondContact O-CB 3.17Å; R630-Q634 WeakPolarHBondContact O-CG 3.31Å; R630-Q634 PolarHBondContact O-N 3.19Å; N631-Q634 PolarHBondContact O-N 3Å; E632-Q634 PolarHBondContact O-N 3.36Å |
| 635 | R | 75 | Confident | 79.5 | Confident | 209 Ų | 209 | 69 Ų | 69 | 79% | 0.789 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -73.3 | -41.7 | 174.6 | -71.5 | 177.9 | -178.9 | -173.8 | 1 | 111.6 | N631 E632 R633 P637 | N631-R635 WeakPolarHBondContact O-CG 3.23Å; N631-R635 PolarHBondContact O-N 2.87Å; N631-R635 VanDerWaalsContact O-N 3.15Å; E632-R635 PolarHBondContact O-N 2.88Å; R633-R635 VanDerWaalsContact C-N 3.29Å; R633-R635 PolarHBondContact O-N 3Å; R635-P637 WeakPolarHBondContact O-CD 3.45Å |
| 636 | N | 79.1 | Confident | 80.7 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -124.1 | 75.8 | -173.4 | -65.9 | -22.9 | 0 | 0 | 0 | 110.9 | F575 E632 R633 | F575-N636 HydrophobicContact CB-CB 4.11Å; F575-N636 HydrophobicContact CD1-CB 4.08Å; F575-N636 HydrophobicContact CD2-CB 3.69Å; F575-N636 HydrophobicContact CE1-CB 4.42Å; F575-N636 HydrophobicContact CE2-CB 4.06Å; F575-N636 WeakPolarHBondContact CE2-ND2 3.27Å; F575-N636 HydrophobicContact CG-CB 3.7Å; F575-N636 HydrophobicContact CZ-CB 4.4Å; E632-N636 PolarHBondContact O-N 3.15Å; R633-N636 CarbonylContact O-C 3.52Å; R633-N636 PolarHBondContact O-N 2.95Å |
| 637 | P | 79.4 | Confident | 81.8 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | trans | -67.9 | 135.5 | 179 | 28.1 | -34.2 | 0 | 0 | 0 | 110.4 | R633 R635 | R633-P637 WeakPolarHBondContact O-CA 3.45Å; R635-P637 WeakPolarHBondContact O-CD 3.45Å | ||
| 638 | L | 83.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -70.1 | 138.7 | 176.1 | -63.5 | -173.6 | 0 | 0 | 0 | 111.1 | I573 G574 F575 T586 L618 N619 R633 | I573-L638 HydrophobicContact CG2-CB 3.95Å; I573-L638 HydrophobicContact CG2-CD1 4.2Å; G574-L638 CarbonylContact O-C 3.54Å; G574-L638 WeakPolarHBondContact O-CA 3.37Å; F575-L638 HydrophobicContact CD1-CD2 4.19Å; T586-L638 WeakPolarHBondContact OG1-CD2 3.39Å; L618-L638 HydrophobicContact CB-CD1 3.92Å; L618-L638 HydrophobicContact CD1-CD1 4.05Å; N619-L638 PolarHBondContact ND2-N 3.15Å; N619-L638 PolarHBondContact ND2-O 3.36Å; N619-L638 WeakPolarHBondContact OD1-CB 3.4Å; N619-L638 PolarHBondContact OD1-N 3.47Å; R633-L638 VanDerWaalsContact CZ-CG 3.45Å | ||
| 639 | R | 86.4 | Confident | 83.6 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 167.4 | 172.5 | 69.1 | -167.7 | -166.3 | -151.8 | 11.6 | 109.5 | I573 G574 T576 I641 D670 | I573-R639 WeakPolarHBondContact CA-O 3.47Å; G574-R639 PolarHBondContact N-O 2.83Å; G574-R639 PolarHBondContact O-N 3.32Å; G574-R639 VanDerWaalsContact O-O 3.08Å; T576-R639 VanDerWaalsContact OG1-CZ 3.31Å; T576-R639 PolarHBondContact OG1-NH2 2.8Å; R639-I641 HydrophobicContact CG-CG2 3.43Å; R639-I641 VanDerWaalsContact CG-CG2 3.43Å; R639-I641 PolarHBondContact O-N 3.34Å; R639-D670 IonicContact CZ-OD2 3.93Å; R639-D670 IonicContact NE-OD2 2.67Å; R639-D670 IonicContact NH2-OD2 3.33Å; R639-D670 PolarHBondContact NH2-OD2 2.87Å |
| 640 | V | 86.6 | Confident | 84.5 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.085 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120.3 | 167.9 | -172.1 | 0 | 0 | 0 | 0 | 107.5 | L571 L572 I573 L608 A611 I612 W673 | L571-V640 HydrophobicContact CB-CG1 4.25Å; L571-V640 HydrophobicContact CD1-CG1 4.26Å; L571-V640 HydrophobicContact CD2-CG1 3.87Å; L571-V640 HydrophobicContact CG-CG1 4.37Å; L572-V640 WeakPolarHBondContact O-CA 3.39Å; I573-V640 HydrophobicContact CG1-CG2 4.2Å; L608-V640 HydrophobicContact CD1-CB 4.42Å; L608-V640 HydrophobicContact CD1-CG1 4.04Å; L608-V640 HydrophobicContact CD1-CG2 4.5Å; A611-V640 HydrophobicContact CB-CG2 3.88Å; I612-V640 HydrophobicContact CG1-CB 4.41Å; I612-V640 HydrophobicContact CG1-CG2 3.69Å; V640-W673 HydrophobicContact CB-CH2 4.41Å; V640-W673 HydrophobicContact CG1-CH2 3.58Å; V640-W673 HydrophobicContact CG1-CZ2 4.46Å; V640-W673 HydrophobicContact CG1-CZ3 4.11Å; V640-W673 WeakPolarHBondContact O-CZ3 3.33Å |
| 641 | I | 89.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -5.1 | -173.2 | 58.2 | 167 | 0 | 0 | 0 | 113.5 | L572 T576 C583 I585 R639 W673 I674 | L572-I641 PolarHBondContact O-N 3.15Å; T576-I641 HydrophobicContact CG2-CB 4.32Å; T576-I641 HydrophobicContact CG2-CG2 3.85Å; C583-I641 HydrophobicContact CB-CD1 4.36Å; I585-I641 HydrophobicContact CG1-CD1 3.73Å; I585-I641 HydrophobicContact CG1-CG1 4.39Å; R639-I641 HydrophobicContact CG-CG2 3.43Å; R639-I641 VanDerWaalsContact CG-CG2 3.43Å; R639-I641 PolarHBondContact O-N 3.34Å; I641-W673 WeakPolarHBondContact O-CA 3.45Å; I641-I674 PolarHBondContact O-N 3.42Å; I641-I674 VanDerWaalsContact O-N 3.14Å |
| 642 | G | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -173.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L572 I674 | L572-G642 PolarHBondContact N-O 2.79Å; L572-G642 PolarHBondContact O-N 3.27Å; G642-I674 CarbonylContact C-O 3.56Å; G642-I674 WeakPolarHBondContact CA-O 3.5Å |
| 643 | W | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.5 | -179.5 | 67.9 | -57.6 | 0 | 0 | 0 | 109.9 | G570 L571 L572 V601 L603 H645 T661 Y665 W673 I674 L676 F697 | G570-W643 CarbonylContact O-C 3.49Å; G570-W643 WeakPolarHBondContact O-CA 3.36Å; L571-W643 HydrophobicContact CD2-CB 4.25Å; L572-W643 VanDerWaalsContact CD1-O 3.31Å; L572-W643 WeakPolarHBondContact CD1-O 3.37Å; V601-W643 HydrophobicContact CB-CZ3 4.09Å; V601-W643 HydrophobicContact CG1-CE3 4.25Å; V601-W643 HydrophobicContact CG1-CZ3 3.79Å; L603-W643 HydrophobicContact CD1-CB 4.35Å; W643-H645 AromaticContact CH2-CE1 3.87Å; W643-H645 AromaticContact CH2-ND1 3.69Å; W643-H645 HydrophobicContact CZ3-CB 4.28Å; W643-H645 AromaticContact CZ3-ND1 3.49Å; W643-H645 WeakPolarHBondContact CZ3-ND1 3.49Å; W643-T661 HydrophobicContact CH2-CG2 4.12Å; W643-T661 HydrophobicContact CZ2-CG2 4.11Å; W643-Y665 AromaticContact CD1-CD2 3.83Å; W643-Y665 HydrophobicContact CD2-CD2 4.2Å; W643-Y665 AromaticContact CD2-CE2 3.85Å; W643-Y665 HydrophobicContact CD2-CE2 3.85Å; W643-Y665 AromaticContact CE2-CD2 3.92Å; W643-Y665 AromaticContact CE2-CE2 3.9Å; W643-Y665 HydrophobicContact CE3-CE2 4.35Å; W643-Y665 HydrophobicContact CG-CD2 4.13Å; W643-Y665 HydrophobicContact CG-CE2 4.04Å; W643-Y665 HydrophobicContact CZ2-CE2 4.41Å; W643-Y665 AromaticContact NE1-CD2 3.67Å; W643-W673 AromaticContact CD1-CD1 3.9Å; W643-W673 AromaticContact CD1-NE1 3.23Å; W643-W673 AromaticContact NE1-NE1 3.92Å; W643-I674 PolarHBondContact N-O 3.37Å; W643-L676 PolarHBondContact O-N 3.49Å; W643-F697 HydrophobicContact CZ2-CZ 4.23Å |
| 644 | Y | 95.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.9 | 170.9 | 75.4 | -83.7 | 0 | 0 | 0 | 111.5 | C556 H559 M569 G570 L572 C588 L676 F678 | C556-Y644 HydrophobicContact CB-CD2 4.16Å; C556-Y644 HydrophobicContact CB-CE2 4.01Å; C556-Y644 VanDerWaalsContact SG-CE1 3.51Å; H559-Y644 AromaticContact ND1-CE2 3.86Å; H559-Y644 AromaticContact ND1-CZ 3.74Å; H559-Y644 PolarHBondContact ND1-OH 3.31Å; M569-Y644 CarbonylContact C-O 3.59Å; M569-Y644 VanDerWaalsContact CA-O 3.3Å; M569-Y644 WeakPolarHBondContact CA-O 3.39Å; G570-Y644 VanDerWaalsContact C-CE1 3.5Å; G570-Y644 PolarHBondContact N-O 3.16Å; G570-Y644 PolarHBondContact O-N 2.79Å; L572-Y644 HydrophobicContact CD2-CD1 3.65Å; L572-Y644 HydrophobicContact CD2-CE1 4.43Å; L572-Y644 HydrophobicContact CD2-CG 4.36Å; L572-Y644 HydrophobicContact CG-CD1 4.2Å; C588-Y644 HydrophobicContact CB-CE1 4.35Å; Y644-L676 CarbonylContact C-O 3.51Å; Y644-L676 WeakPolarHBondContact CA-O 3.41Å; Y644-L676 VanDerWaalsContact CB-O 3.25Å; Y644-L676 WeakPolarHBondContact CB-O 3.35Å; Y644-F678 HydrophobicContact CD2-CD2 4.11Å; Y644-F678 HydrophobicContact CD2-CE2 4.13Å; Y644-F678 HydrophobicContact CG-CE2 4.33Å |
| 645 | H | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 168.7 | 167.6 | 70.9 | -72.5 | 0 | 0 | 0 | 112 | V568 M569 W643 H647 D658 L676 I677 F678 | V568-H645 CarbonylContact O-C 3.58Å; V568-H645 WeakPolarHBondContact O-CA 3.5Å; V568-H645 VanDerWaalsContact O-CB 3.28Å; V568-H645 WeakPolarHBondContact O-CB 3.3Å; M569-H645 HydrophobicContact CB-CB 4.34Å; W643-H645 AromaticContact CH2-CE1 3.87Å; W643-H645 AromaticContact CH2-ND1 3.69Å; W643-H645 HydrophobicContact CZ3-CB 4.28Å; W643-H645 AromaticContact CZ3-ND1 3.49Å; W643-H645 WeakPolarHBondContact CZ3-ND1 3.49Å; H645-H647 AromaticContact CD2-CD2 3.62Å; H645-H647 AromaticContact CD2-NE2 3.64Å; H645-H647 AromaticContact NE2-CD2 3.44Å; H645-H647 PolarHBondContact NE2-CD2 3.45Å; H645-H647 AromaticContact NE2-CE1 3.91Å; H645-H647 AromaticContact NE2-NE2 2.96Å; H645-H647 PolarHBondContact NE2-NE2 3.41Å; H645-D658 IonicContact CE1-OD1 2.68Å; H645-D658 PolarHBondContact CE1-OD1 2.87Å; H645-D658 IonicContact CE1-OD2 3.77Å; H645-D658 IonicContact NE2-OD1 2.69Å; H645-D658 PolarHBondContact NE2-OD1 3.12Å; H645-D658 IonicContact NE2-OD2 3.76Å; H645-L676 PolarHBondContact N-O 2.75Å; H645-I677 VanDerWaalsContact CE1-CG1 3.49Å; H645-I677 WeakPolarHBondContact CE1-CG1 3.48Å; H645-I677 WeakPolarHBondContact O-CA 3.43Å; H645-F678 PolarHBondContact O-N 3.49Å |
| 646 | S | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.3 | 177 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | E567 V568 F678 | E567-S646 VanDerWaalsContact CB-O 3.29Å; E567-S646 WeakPolarHBondContact CB-O 3.14Å; E567-S646 VanDerWaalsContact CG-O 3.23Å; E567-S646 WeakPolarHBondContact CG-O 3.25Å; V568-S646 WeakPolarHBondContact CG2-OG 3.37Å; V568-S646 PolarHBondContact N-OG 2.88Å; V568-S646 PolarHBondContact O-N 3.14Å; S646-F678 CarbonylContact C-O 3.46Å; S646-F678 VanDerWaalsContact CA-O 3.22Å; S646-F678 WeakPolarHBondContact CA-O 3.18Å |
| 647 | H | 93.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 88.1 | 170.9 | -84.9 | -175 | 0 | 0 | 0 | 108.6 | E567 H645 I650 T651 F653 D658 I677 F678 A679 V680 | E567-H647 IonicContact OE1-CD2 3.84Å; E567-H647 PolarHBondContact OE1-CD2 2.85Å; E567-H647 IonicContact OE1-NE2 3.23Å; H645-H647 AromaticContact CD2-CD2 3.62Å; H645-H647 AromaticContact CD2-NE2 3.64Å; H645-H647 AromaticContact NE2-CD2 3.44Å; H645-H647 PolarHBondContact NE2-CD2 3.45Å; H645-H647 AromaticContact NE2-CE1 3.91Å; H645-H647 AromaticContact NE2-NE2 2.96Å; H645-H647 PolarHBondContact NE2-NE2 3.41Å; H647-I650 HydrophobicContact CB-CB 3.94Å; H647-I650 HydrophobicContact CB-CG2 4.34Å; H647-T651 PolarHBondContact ND1-O 2.85Å; H647-F653 PolarHBondContact CE1-O 2.89Å; H647-D658 IonicContact CE1-OD2 3.75Å; H647-D658 IonicContact NE2-OD2 2.63Å; H647-D658 PolarHBondContact NE2-OD2 2.82Å; H647-I677 HydrophobicContact CB-CG2 4.18Å; H647-F678 PolarHBondContact N-O 3.1Å; H647-A679 HydrophobicContact CB-CB 4.36Å; H647-A679 WeakPolarHBondContact O-CA 3.49Å; H647-V680 PolarHBondContact O-N 3.32Å |
| 648 | P | 91.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.078 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.8 | 175.4 | 29.8 | -31.5 | 0 | 0 | 0 | 110.5 | E564 I650 V680 F681 | E564-P648 WeakPolarHBondContact O-CB 3.28Å; P648-I650 WeakPolarHBondContact O-CG1 3.47Å; P648-I650 PolarHBondContact O-N 2.89Å; P648-I650 VanDerWaalsContact O-N 3.11Å; P648-V680 WeakPolarHBondContact CA-O 3.3Å; P648-F681 HydrophobicContact CB-CD2 3.92Å; P648-F681 HydrophobicContact CB-CE2 4.48Å |
| 649 | H | 90.8 | Very high | 89.1 | Confident | 105 Ų | 105 | 31.4 Ų | 31.4 | 49% | 0.486 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.2 | -175.8 | -51.8 | -64.6 | 0 | 0 | 0 | 115.2 | E564 V680 F681 N682 | E564-H649 WeakPolarHBondContact CG-NE2 3.09Å; E564-H649 IonicContact OE1-CE1 3.76Å; E564-H649 PolarHBondContact OE1-CE1 3.2Å; E564-H649 IonicContact OE1-NE2 2.66Å; E564-H649 PolarHBondContact OE1-NE2 2.88Å; E564-H649 VanDerWaalsContact OE1-NE2 3.14Å; H649-V680 PolarHBondContact N-O 2.92Å; H649-F681 VanDerWaalsContact CE1-CB 3.48Å; H649-F681 WeakPolarHBondContact CE1-CB 3.48Å; H649-F681 PolarHBondContact CE1-O 3.25Å; H649-F681 PolarHBondContact ND1-O 3.45Å; H649-N682 WeakPolarHBondContact CA-OD1 3.35Å |
| 650 | I | 87.3 | Confident | 88.6 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -126.8 | 153.5 | -179.5 | -60.1 | 165.2 | 0 | 0 | 0 | 108.1 | H647 P648 A679 N682 | H647-I650 HydrophobicContact CB-CB 3.94Å; H647-I650 HydrophobicContact CB-CG2 4.34Å; P648-I650 WeakPolarHBondContact O-CG1 3.47Å; P648-I650 PolarHBondContact O-N 2.89Å; P648-I650 VanDerWaalsContact O-N 3.11Å; I650-A679 WeakPolarHBondContact O-CB 3.42Å; I650-N682 PolarHBondContact N-OD1 3.32Å; I650-N682 PolarHBondContact O-ND2 3.03Å |
| 651 | T | 89.8 | Confident | 88.2 | Confident | 79 Ų | 79 | 34.4 Ų | 34.4 | 49% | 0.485 | 18% | 0.18 | S | C | . | . | trans | -63.1 | 155.8 | 177.6 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | H647 F653 | H647-T651 PolarHBondContact ND1-O 2.85Å; T651-F653 PolarHBondContact O-N 2.78Å; T651-F653 VanDerWaalsContact O-N 3.11Å | ||
| 652 | V | 91 | Very high | 88 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -68.6 | -7.3 | 178.6 | 78 | 0 | 0 | 0 | 0 | 114.8 | I677 A679 Q693 L695 | V652-I677 HydrophobicContact CG2-CB 4.39Å; V652-I677 HydrophobicContact CG2-CG2 4.38Å; V652-A679 HydrophobicContact CB-CB 3.75Å; V652-A679 HydrophobicContact CG2-CB 4.08Å; V652-Q693 HydrophobicContact CB-CB 3.9Å; V652-Q693 HydrophobicContact CG1-CB 4.21Å; V652-Q693 HydrophobicContact CG2-CB 4.03Å; V652-L695 HydrophobicContact CG1-CB 4.26Å; V652-L695 HydrophobicContact CG2-CB 3.67Å |
| 653 | F | 91.6 | Very high | 87.2 | Confident | 115 Ų | 115 | 36.8 Ų | 36.8 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -75.8 | 139.6 | -176.5 | -58.2 | -59.7 | 0 | 0 | 0 | 111.5 | H647 T651 L695 Y716 | H647-F653 PolarHBondContact CE1-O 2.89Å; T651-F653 PolarHBondContact O-N 2.78Å; T651-F653 VanDerWaalsContact O-N 3.11Å; F653-L695 HydrophobicContact CD1-CD2 4.25Å; F653-Y716 WeakPolarHBondContact CD1-OH 3.46Å |
| 654 | P | 88 | Confident | 85.9 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 135.9 | 178.1 | -18.6 | 31.1 | 0 | 0 | 0 | 111.6 | D658 N659 I677 L695 F697 Y716 | P654-D658 HydrophobicContact CB-CB 3.78Å; P654-N659 VanDerWaalsContact CB-OD1 3.23Å; P654-N659 WeakPolarHBondContact CB-OD1 3.4Å; P654-I677 VanDerWaalsContact CA-CD1 3.5Å; P654-I677 HydrophobicContact CB-CD1 3.8Å; P654-I677 HydrophobicContact CG-CD1 3.72Å; P654-L695 HydrophobicContact CG-CD2 4.4Å; P654-F697 HydrophobicContact CB-CD2 4.07Å; P654-F697 HydrophobicContact CB-CE1 4.43Å; P654-F697 HydrophobicContact CB-CE2 3.79Å; P654-F697 HydrophobicContact CB-CG 4.5Å; P654-F697 HydrophobicContact CB-CZ 4Å; P654-F697 HydrophobicContact CG-CB 4.18Å; P654-F697 HydrophobicContact CG-CD1 3.81Å; P654-F697 HydrophobicContact CG-CD2 3.55Å; P654-F697 HydrophobicContact CG-CE1 4.04Å; P654-F697 HydrophobicContact CG-CE2 3.76Å; P654-F697 HydrophobicContact CG-CG 3.57Å; P654-F697 HydrophobicContact CG-CZ 4.01Å; P654-Y716 HydrophobicContact CB-CD1 4.42Å; P654-Y716 HydrophobicContact CG-CD1 3.96Å; P654-Y716 HydrophobicContact CG-CD2 4.13Å; P654-Y716 HydrophobicContact CG-CE1 4.26Å; P654-Y716 HydrophobicContact CG-CE2 4.41Å; P654-Y716 HydrophobicContact CG-CG 3.91Å |
| 655 | S | 86.8 | Confident | 84.8 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 169.4 | 168.7 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | V657 D658 N659 | S655-V657 PolarHBondContact O-N 3.25Å; S655-V657 PolarHBondContact OG-N 3.32Å; S655-D658 VanDerWaalsContact CB-OD2 3.29Å; S655-D658 WeakPolarHBondContact CB-OD2 3.19Å; S655-D658 PolarHBondContact N-OD2 2.93Å; S655-D658 PolarHBondContact O-N 3.18Å; S655-D658 PolarHBondContact OG-N 3Å; S655-D658 PolarHBondContact OG-OD2 3.31Å; S655-N659 PolarHBondContact O-N 3.04Å; S655-N659 PolarHBondContact O-ND2 3.34Å |
| 656 | A | 80.6 | Confident | 83.9 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -25.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R660 | A656-R660 WeakPolarHBondContact O-CB 3.31Å; A656-R660 PolarHBondContact O-N 3.24Å |
| 657 | V | 81.1 | Confident | 82.3 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.9 | -43.7 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | D599 S655 N659 R660 T661 | D599-V657 HydrophobicContact CB-CB 4.41Å; D599-V657 HydrophobicContact CB-CG2 4.18Å; D599-V657 WeakPolarHBondContact O-CG1 3.41Å; S655-V657 PolarHBondContact O-N 3.25Å; S655-V657 PolarHBondContact OG-N 3.32Å; V657-N659 VanDerWaalsContact C-N 3.31Å; V657-N659 PolarHBondContact O-N 2.8Å; V657-R660 PolarHBondContact O-N 3.39Å; V657-R660 VanDerWaalsContact O-N 3.09Å; V657-T661 WeakPolarHBondContact O-CB 3.46Å; V657-T661 PolarHBondContact O-N 3.12Å; V657-T661 PolarHBondContact O-OG1 3.42Å |
| 658 | D | 86.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 175.4 | -60.4 | -42.8 | 0 | 0 | 0 | 111.8 | H645 H647 P654 S655 R660 T661 Q662 F697 | H645-D658 IonicContact CE1-OD1 2.68Å; H645-D658 PolarHBondContact CE1-OD1 2.87Å; H645-D658 IonicContact CE1-OD2 3.77Å; H645-D658 IonicContact NE2-OD1 2.69Å; H645-D658 PolarHBondContact NE2-OD1 3.12Å; H645-D658 IonicContact NE2-OD2 3.76Å; H647-D658 IonicContact CE1-OD2 3.75Å; H647-D658 IonicContact NE2-OD2 2.63Å; H647-D658 PolarHBondContact NE2-OD2 2.82Å; P654-D658 HydrophobicContact CB-CB 3.78Å; S655-D658 VanDerWaalsContact CB-OD2 3.29Å; S655-D658 WeakPolarHBondContact CB-OD2 3.19Å; S655-D658 PolarHBondContact N-OD2 2.93Å; S655-D658 PolarHBondContact O-N 3.18Å; S655-D658 PolarHBondContact OG-N 3Å; S655-D658 PolarHBondContact OG-OD2 3.31Å; D658-R660 VanDerWaalsContact C-N 3.34Å; D658-R660 PolarHBondContact O-N 3.2Å; D658-T661 PolarHBondContact O-N 3.27Å; D658-Q662 WeakPolarHBondContact O-CB 3.46Å; D658-Q662 PolarHBondContact O-N 3.43Å; D658-F697 HydrophobicContact CB-CZ 4.15Å |
| 659 | N | 83.5 | Confident | 78.9 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 176.2 | -70.1 | -24.3 | 0 | 0 | 0 | 111.6 | P654 S655 V657 Q662 E663 V699 G714 Y716 | P654-N659 VanDerWaalsContact CB-OD1 3.23Å; P654-N659 WeakPolarHBondContact CB-OD1 3.4Å; S655-N659 PolarHBondContact O-N 3.04Å; S655-N659 PolarHBondContact O-ND2 3.34Å; V657-N659 VanDerWaalsContact C-N 3.31Å; V657-N659 PolarHBondContact O-N 2.8Å; N659-Q662 PolarHBondContact O-N 2.84Å; N659-E663 VanDerWaalsContact O-CB 3.27Å; N659-E663 WeakPolarHBondContact O-CB 3.43Å; N659-E663 PolarHBondContact O-N 2.76Å; N659-V699 HydrophobicContact CB-CG2 3.93Å; N659-V699 VanDerWaalsContact O-CG2 3.28Å; N659-V699 WeakPolarHBondContact O-CG2 3.25Å; N659-G714 PolarHBondContact ND2-O 2.99Å; N659-Y716 WeakPolarHBondContact OD1-CB 3.18Å |
| 660 | R | 75.6 | Confident | 77.7 | Confident | 155 Ų | 155 | 41.4 Ų | 41.4 | 59% | 0.585 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -66 | -47 | 177.6 | -168.5 | -176.1 | -52.5 | -132.3 | -0.5 | 111.3 | A656 V657 D658 Q662 E663 E664 | A656-R660 WeakPolarHBondContact O-CB 3.31Å; A656-R660 PolarHBondContact O-N 3.24Å; V657-R660 PolarHBondContact O-N 3.39Å; V657-R660 VanDerWaalsContact O-N 3.09Å; D658-R660 VanDerWaalsContact C-N 3.34Å; D658-R660 PolarHBondContact O-N 3.2Å; R660-Q662 VanDerWaalsContact C-N 3.35Å; R660-Q662 PolarHBondContact O-N 3.29Å; R660-E663 PolarHBondContact O-N 2.75Å; R660-E664 WeakPolarHBondContact O-CB 3.32Å; R660-E664 VanDerWaalsContact O-CG 3.26Å; R660-E664 WeakPolarHBondContact O-CG 3.43Å; R660-E664 PolarHBondContact O-N 3.13Å |
| 661 | T | 78.2 | Confident | 76.9 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | W643 V657 D658 E664 Y665 | W643-T661 HydrophobicContact CH2-CG2 4.12Å; W643-T661 HydrophobicContact CZ2-CG2 4.11Å; V657-T661 WeakPolarHBondContact O-CB 3.46Å; V657-T661 PolarHBondContact O-N 3.12Å; V657-T661 PolarHBondContact O-OG1 3.42Å; D658-T661 PolarHBondContact O-N 3.27Å; T661-E664 WeakPolarHBondContact O-CB 3.19Å; T661-E664 PolarHBondContact O-N 2.82Å; T661-Y665 HydrophobicContact CG2-CD1 4.45Å; T661-Y665 HydrophobicContact CG2-CD2 3.96Å; T661-Y665 HydrophobicContact CG2-CE1 3.93Å; T661-Y665 HydrophobicContact CG2-CE2 3.4Å; T661-Y665 VanDerWaalsContact CG2-CE2 3.4Å; T661-Y665 HydrophobicContact CG2-CG 4.46Å; T661-Y665 WeakPolarHBondContact CG2-OH 3.25Å; T661-Y665 WeakPolarHBondContact O-CB 3.24Å; T661-Y665 WeakPolarHBondContact O-CD1 3.38Å; T661-Y665 PolarHBondContact O-N 2.63Å |
| 662 | Q | 84.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.3 | 175.8 | 60 | 21.9 | 0 | 0 | 112 | D658 N659 R660 E664 Y665 Q666 W673 F697 V699 | D658-Q662 WeakPolarHBondContact O-CB 3.46Å; D658-Q662 PolarHBondContact O-N 3.43Å; N659-Q662 PolarHBondContact O-N 2.84Å; R660-Q662 VanDerWaalsContact C-N 3.35Å; R660-Q662 PolarHBondContact O-N 3.29Å; Q662-E664 VanDerWaalsContact C-N 3.35Å; Q662-Y665 PolarHBondContact O-N 3.48Å; Q662-Q666 VanDerWaalsContact NE2-OE1 3.09Å; Q662-Q666 WeakPolarHBondContact O-CG 3.35Å; Q662-Q666 PolarHBondContact O-N 3.1Å; Q662-W673 PolarHBondContact NE2-O 2.69Å; Q662-F697 HydrophobicContact CB-CD2 4.37Å; Q662-F697 HydrophobicContact CB-CE2 3.5Å; Q662-F697 VanDerWaalsContact CB-CE2 3.5Å; Q662-F697 HydrophobicContact CB-CZ 3.95Å; Q662-F697 HydrophobicContact CG-CD2 3.97Å; Q662-F697 HydrophobicContact CG-CE2 3.56Å; Q662-F697 HydrophobicContact CG-CZ 4.19Å; Q662-V699 HydrophobicContact CB-CG2 4.14Å; Q662-V699 HydrophobicContact CG-CG2 3.99Å |
| 663 | E | 75.1 | Confident | 76.3 | Confident | 52 Ų | 52 | 36.5 Ų | 36.5 | 24% | 0.243 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.7 | -174.9 | -173.3 | 170.8 | 0 | 0 | 111.1 | N659 R660 Y665 Q666 N667 V699 K701 | N659-E663 VanDerWaalsContact O-CB 3.27Å; N659-E663 WeakPolarHBondContact O-CB 3.43Å; N659-E663 PolarHBondContact O-N 2.76Å; R660-E663 PolarHBondContact O-N 2.75Å; E663-Y665 VanDerWaalsContact C-N 3.33Å; E663-Q666 PolarHBondContact O-N 3.12Å; E663-N667 WeakPolarHBondContact CG-ND2 3.37Å; E663-N667 VanDerWaalsContact O-CB 3.26Å; E663-N667 WeakPolarHBondContact O-CB 3.41Å; E663-N667 VanDerWaalsContact O-CG 3.25Å; E663-N667 PolarHBondContact O-N 2.79Å; E663-N667 PolarHBondContact O-ND2 3.08Å; E663-V699 HydrophobicContact CB-CB 4.09Å; E663-V699 HydrophobicContact CB-CG1 4.02Å; E663-V699 HydrophobicContact CB-CG2 4.41Å; E663-V699 HydrophobicContact CG-CG1 4.26Å; E663-K701 WeakPolarHBondContact OE1-CE 3.48Å; E663-K701 IonicContact OE1-NZ 3.39Å; E663-K701 PolarHBondContact OE1-NZ 3.12Å |
| 664 | E | 65.9 | Low | 76.3 | Confident | 72 Ų | 72 | 31.1 Ų | 31.1 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 175 | -76.2 | 174.5 | -168.5 | 0 | 0 | 110.8 | L409 R660 T661 Q662 N667 A668 | L409-E664 HydrophobicContact CD1-CG 4.34Å; L409-E664 WeakPolarHBondContact CD1-OE2 3.29Å; R660-E664 WeakPolarHBondContact O-CB 3.32Å; R660-E664 VanDerWaalsContact O-CG 3.26Å; R660-E664 WeakPolarHBondContact O-CG 3.43Å; R660-E664 PolarHBondContact O-N 3.13Å; T661-E664 WeakPolarHBondContact O-CB 3.19Å; T661-E664 PolarHBondContact O-N 2.82Å; Q662-E664 VanDerWaalsContact C-N 3.35Å; E664-N667 PolarHBondContact O-N 3.07Å; E664-A668 WeakPolarHBondContact O-CB 3.16Å; E664-A668 PolarHBondContact O-N 2.97Å |
| 665 | Y | 72.7 | Confident | 76.6 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 176.7 | -70.2 | -7.9 | 0 | 0 | 0 | 112.5 | L603 W643 T661 Q662 E663 N667 A668 F669 W673 | L603-Y665 HydrophobicContact CD1-CE2 3.77Å; L603-Y665 PolarHBondContact N-OH 2.64Å; L603-Y665 VanDerWaalsContact N-OH 3.12Å; W643-Y665 AromaticContact CD1-CD2 3.83Å; W643-Y665 HydrophobicContact CD2-CD2 4.2Å; W643-Y665 AromaticContact CD2-CE2 3.85Å; W643-Y665 HydrophobicContact CD2-CE2 3.85Å; W643-Y665 AromaticContact CE2-CD2 3.92Å; W643-Y665 AromaticContact CE2-CE2 3.9Å; W643-Y665 HydrophobicContact CE3-CE2 4.35Å; W643-Y665 HydrophobicContact CG-CD2 4.13Å; W643-Y665 HydrophobicContact CG-CE2 4.04Å; W643-Y665 HydrophobicContact CZ2-CE2 4.41Å; W643-Y665 AromaticContact NE1-CD2 3.67Å; T661-Y665 HydrophobicContact CG2-CD1 4.45Å; T661-Y665 HydrophobicContact CG2-CD2 3.96Å; T661-Y665 HydrophobicContact CG2-CE1 3.93Å; T661-Y665 HydrophobicContact CG2-CE2 3.4Å; T661-Y665 VanDerWaalsContact CG2-CE2 3.4Å; T661-Y665 HydrophobicContact CG2-CG 4.46Å; T661-Y665 WeakPolarHBondContact CG2-OH 3.25Å; T661-Y665 WeakPolarHBondContact O-CB 3.24Å; T661-Y665 WeakPolarHBondContact O-CD1 3.38Å; T661-Y665 PolarHBondContact O-N 2.63Å; Q662-Y665 PolarHBondContact O-N 3.48Å; E663-Y665 VanDerWaalsContact C-N 3.33Å; Y665-N667 VanDerWaalsContact C-N 3.34Å; Y665-N667 PolarHBondContact O-N 2.83Å; Y665-A668 PolarHBondContact O-N 3.17Å; Y665-A668 VanDerWaalsContact O-N 3.12Å; Y665-F669 HydrophobicContact CD1-CD2 4.2Å; Y665-F669 AromaticContact CD1-CE2 3.46Å; Y665-F669 HydrophobicContact CD1-CE2 3.46Å; Y665-F669 VanDerWaalsContact CD1-CE2 3.46Å; Y665-F669 HydrophobicContact CD1-CZ 4.3Å; Y665-F669 HydrophobicContact CD2-CE2 4.26Å; Y665-F669 HydrophobicContact CE1-CE2 4.16Å; Y665-F669 HydrophobicContact CG-CD2 4.03Å; Y665-F669 AromaticContact CG-CE2 3.54Å; Y665-F669 HydrophobicContact CG-CE2 3.54Å; Y665-F669 WeakPolarHBondContact O-CB 3.31Å; Y665-F669 WeakPolarHBondContact O-CD2 3.24Å; Y665-F669 PolarHBondContact O-N 2.94Å; Y665-W673 AromaticContact CD2-NE1 3.53Å; Y665-W673 AromaticContact CG-NE1 3.9Å |
| 666 | Q | 73 | Confident | 77 | Confident | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 175.9 | -76.6 | 180 | -94.9 | 0 | 0 | 112.7 | Q662 E663 A668 D670 P671 W673 V699 | Q662-Q666 VanDerWaalsContact NE2-OE1 3.09Å; Q662-Q666 WeakPolarHBondContact O-CG 3.35Å; Q662-Q666 PolarHBondContact O-N 3.1Å; E663-Q666 PolarHBondContact O-N 3.12Å; Q666-A668 PolarHBondContact O-N 3.27Å; Q666-D670 WeakPolarHBondContact CA-O 3.37Å; Q666-D670 CarbonylContact O-C 3.52Å; Q666-P671 PolarHBondContact NE2-O 3.28Å; Q666-W673 HydrophobicContact CG-CB 3.91Å; Q666-V699 PolarHBondContact OE1-O 3.02Å |
| 667 | N | 60.5 | Low | 77.8 | Confident | 70 Ų | 70 | 26.4 Ų | 26.4 | 37% | 0.374 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -68 | -31.6 | 175.4 | -78.9 | -47.1 | 0 | 0 | 0 | 111.9 | R408 E663 E664 Y665 | R408-N667 PolarHBondContact NE-O 3.08Å; R408-N667 PolarHBondContact NH1-O 2.74Å; R408-N667 PolarHBondContact NH2-O 2.91Å; E663-N667 WeakPolarHBondContact CG-ND2 3.37Å; E663-N667 VanDerWaalsContact O-CB 3.26Å; E663-N667 WeakPolarHBondContact O-CB 3.41Å; E663-N667 VanDerWaalsContact O-CG 3.25Å; E663-N667 PolarHBondContact O-N 2.79Å; E663-N667 PolarHBondContact O-ND2 3.08Å; E664-N667 PolarHBondContact O-N 3.07Å; Y665-N667 VanDerWaalsContact C-N 3.34Å; Y665-N667 PolarHBondContact O-N 2.83Å |
| 668 | A | 51.9 | Low | 78.5 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 7% | 0.066 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -89 | -46.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P407 R408 E664 Y665 Q666 | P407-A668 HydrophobicContact CB-CB 4.24Å; R408-A668 HydrophobicContact CB-CB 3.86Å; R408-A668 HydrophobicContact CG-CB 4.02Å; E664-A668 WeakPolarHBondContact O-CB 3.16Å; E664-A668 PolarHBondContact O-N 2.97Å; Y665-A668 PolarHBondContact O-N 3.17Å; Y665-A668 VanDerWaalsContact O-N 3.12Å; Q666-A668 PolarHBondContact O-N 3.27Å |
| 669 | F | 62.1 | Low | 78.8 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -96.4 | -87.2 | -175 | -52.9 | -64.6 | 0 | 0 | 0 | 109.8 | N404 S405 P407 L608 Y665 W673 | N404-F669 CarbonylContact O-C 3.59Å; N404-F669 VanDerWaalsContact O-C 3.28Å; S405-F669 VanDerWaalsContact C-CD1 3.46Å; S405-F669 VanDerWaalsContact O-CD1 3.31Å; S405-F669 WeakPolarHBondContact O-CD1 2.84Å; P407-F669 HydrophobicContact CB-CD1 4.18Å; P407-F669 HydrophobicContact CB-CE1 3.42Å; P407-F669 VanDerWaalsContact CB-CE1 3.42Å; P407-F669 HydrophobicContact CB-CE2 3.97Å; P407-F669 HydrophobicContact CB-CZ 3.31Å; P407-F669 HydrophobicContact CG-CD1 4.33Å; P407-F669 HydrophobicContact CG-CE1 3.22Å; P407-F669 HydrophobicContact CG-CE2 4.26Å; P407-F669 HydrophobicContact CG-CZ 3.19Å; L608-F669 HydrophobicContact CD2-CD1 4.4Å; L608-F669 HydrophobicContact CD2-CE1 3.38Å; L608-F669 HydrophobicContact CD2-CZ 3.9Å; Y665-F669 HydrophobicContact CD1-CD2 4.2Å; Y665-F669 AromaticContact CD1-CE2 3.46Å; Y665-F669 HydrophobicContact CD1-CE2 3.46Å; Y665-F669 VanDerWaalsContact CD1-CE2 3.46Å; Y665-F669 HydrophobicContact CD1-CZ 4.3Å; Y665-F669 HydrophobicContact CD2-CE2 4.26Å; Y665-F669 HydrophobicContact CE1-CE2 4.16Å; Y665-F669 HydrophobicContact CG-CD2 4.03Å; Y665-F669 AromaticContact CG-CE2 3.54Å; Y665-F669 HydrophobicContact CG-CE2 3.54Å; Y665-F669 WeakPolarHBondContact O-CB 3.31Å; Y665-F669 WeakPolarHBondContact O-CD2 3.24Å; Y665-F669 PolarHBondContact O-N 2.94Å; F669-W673 HydrophobicContact CB-CD2 4.17Å; F669-W673 HydrophobicContact CB-CE3 3.6Å; F669-W673 HydrophobicContact CB-CZ3 3.92Å; F669-W673 HydrophobicContact CD1-CZ3 4.42Å; F669-W673 AromaticContact CD2-CD2 3.62Å; F669-W673 HydrophobicContact CD2-CD2 3.62Å; F669-W673 AromaticContact CD2-CE2 3.65Å; F669-W673 AromaticContact CD2-CE3 3.73Å; F669-W673 HydrophobicContact CD2-CE3 3.73Å; F669-W673 HydrophobicContact CD2-CG 4.24Å; F669-W673 AromaticContact CD2-CH2 3.86Å; F669-W673 HydrophobicContact CD2-CH2 3.86Å; F669-W673 AromaticContact CD2-CZ2 3.79Å; F669-W673 HydrophobicContact CD2-CZ2 3.79Å; F669-W673 AromaticContact CD2-CZ3 3.84Å; F669-W673 HydrophobicContact CD2-CZ3 3.84Å; F669-W673 HydrophobicContact CE1-CH2 4.5Å; F669-W673 HydrophobicContact CE2-CD2 4.28Å; F669-W673 AromaticContact CE2-CE2 3.82Å; F669-W673 HydrophobicContact CE2-CE3 4.5Å; F669-W673 AromaticContact CE2-CH2 3.85Å; F669-W673 HydrophobicContact CE2-CH2 3.85Å; F669-W673 AromaticContact CE2-CZ2 3.61Å; F669-W673 HydrophobicContact CE2-CZ2 3.61Å; F669-W673 HydrophobicContact CE2-CZ3 4.3Å; F669-W673 HydrophobicContact CG-CD2 4.24Å; F669-W673 AromaticContact CG-CE3 3.89Å; F669-W673 HydrophobicContact CG-CE3 3.89Å; F669-W673 HydrophobicContact CG-CH2 4.23Å; F669-W673 AromaticContact CG-CZ3 3.88Å; F669-W673 HydrophobicContact CG-CZ3 3.88Å; F669-W673 HydrophobicContact CZ-CH2 4.12Å; F669-W673 HydrophobicContact CZ-CZ2 4.2Å |
| 670 | D | 65.3 | Low | 79.3 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 12% | 0.123 | 11% | 0.108 | C | C | . | . | trans | -135.2 | 128.3 | -167 | -174.2 | -18.5 | 0 | 0 | 0 | 107.2 | R639 Q666 M672 W673 | R639-D670 IonicContact CZ-OD2 3.93Å; R639-D670 IonicContact NE-OD2 2.67Å; R639-D670 IonicContact NH2-OD2 3.33Å; R639-D670 PolarHBondContact NH2-OD2 2.87Å; Q666-D670 WeakPolarHBondContact CA-O 3.37Å; Q666-D670 CarbonylContact O-C 3.52Å; D670-M672 PolarHBondContact O-N 3.34Å; D670-M672 VanDerWaalsContact O-N 3.1Å; D670-M672 WeakPolarHBondContact OD1-CB 3.46Å; D670-M672 PolarHBondContact OD1-N 3.41Å; D670-W673 HydrophobicContact CB-CB 4.4Å; D670-W673 WeakPolarHBondContact O-CB 3.25Å; D670-W673 PolarHBondContact O-N 2.95Å | ||
| 671 | P | 70.7 | Confident | 80.1 | Confident | 35 Ų | 35 | 17.8 Ų | 17.8 | 23% | 0.227 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.9 | 171 | -26.8 | 35.1 | 0 | 0 | 0 | 113.5 | G541 Q666 W673 Q698 | G541-P671 CarbonylContact O-C 3.53Å; Q666-P671 PolarHBondContact NE2-O 3.28Å; P671-W673 VanDerWaalsContact C-N 3.31Å; P671-Q698 PolarHBondContact O-NE2 2.88Å |
| 672 | M | 81.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7.7 | 175.1 | -67.7 | -172.5 | 73.4 | 0 | 0 | 114.3 | G541 V543 T576 E578 D670 I674 Q698 | G541-M672 WeakPolarHBondContact O-CG 3.36Å; V543-M672 HydrophobicContact CG2-CB 3.76Å; V543-M672 HydrophobicContact CG2-CE 3.86Å; V543-M672 HydrophobicContact CG2-CG 4.06Å; V543-M672 WeakPolarHBondContact CG2-O 3.31Å; T576-M672 HydrophobicContact CG2-CB 4.4Å; E578-M672 HydrophobicContact CB-SD 4.2Å; E578-M672 HydrophobicContact CG-SD 3.73Å; D670-M672 PolarHBondContact O-N 3.34Å; D670-M672 VanDerWaalsContact O-N 3.1Å; D670-M672 WeakPolarHBondContact OD1-CB 3.46Å; D670-M672 PolarHBondContact OD1-N 3.41Å; M672-I674 PolarHBondContact O-N 3.43Å; M672-Q698 VanDerWaalsContact CA-NE2 3.34Å; M672-Q698 PolarHBondContact O-NE2 3.28Å |
| 673 | W | 87.3 | Confident | 80.4 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | trans | -58.7 | 131.4 | 177.6 | -169.8 | -90.7 | 0 | 0 | 0 | 111 | L571 L608 V640 I641 W643 Q662 Y665 Q666 F669 D670 P671 Q698 | L571-W673 HydrophobicContact CD2-CZ2 4.34Å; L608-W673 HydrophobicContact CD1-CH2 4.41Å; V640-W673 HydrophobicContact CB-CH2 4.41Å; V640-W673 HydrophobicContact CG1-CH2 3.58Å; V640-W673 HydrophobicContact CG1-CZ2 4.46Å; V640-W673 HydrophobicContact CG1-CZ3 4.11Å; V640-W673 WeakPolarHBondContact O-CZ3 3.33Å; I641-W673 WeakPolarHBondContact O-CA 3.45Å; W643-W673 AromaticContact CD1-CD1 3.9Å; W643-W673 AromaticContact CD1-NE1 3.23Å; W643-W673 AromaticContact NE1-NE1 3.92Å; Q662-W673 PolarHBondContact NE2-O 2.69Å; Y665-W673 AromaticContact CD2-NE1 3.53Å; Y665-W673 AromaticContact CG-NE1 3.9Å; Q666-W673 HydrophobicContact CG-CB 3.91Å; F669-W673 HydrophobicContact CB-CD2 4.17Å; F669-W673 HydrophobicContact CB-CE3 3.6Å; F669-W673 HydrophobicContact CB-CZ3 3.92Å; F669-W673 HydrophobicContact CD1-CZ3 4.42Å; F669-W673 AromaticContact CD2-CD2 3.62Å; F669-W673 HydrophobicContact CD2-CD2 3.62Å; F669-W673 AromaticContact CD2-CE2 3.65Å; F669-W673 AromaticContact CD2-CE3 3.73Å; F669-W673 HydrophobicContact CD2-CE3 3.73Å; F669-W673 HydrophobicContact CD2-CG 4.24Å; F669-W673 AromaticContact CD2-CH2 3.86Å; F669-W673 HydrophobicContact CD2-CH2 3.86Å; F669-W673 AromaticContact CD2-CZ2 3.79Å; F669-W673 HydrophobicContact CD2-CZ2 3.79Å; F669-W673 AromaticContact CD2-CZ3 3.84Å; F669-W673 HydrophobicContact CD2-CZ3 3.84Å; F669-W673 HydrophobicContact CE1-CH2 4.5Å; F669-W673 HydrophobicContact CE2-CD2 4.28Å; F669-W673 AromaticContact CE2-CE2 3.82Å; F669-W673 HydrophobicContact CE2-CE3 4.5Å; F669-W673 AromaticContact CE2-CH2 3.85Å; F669-W673 HydrophobicContact CE2-CH2 3.85Å; F669-W673 AromaticContact CE2-CZ2 3.61Å; F669-W673 HydrophobicContact CE2-CZ2 3.61Å; F669-W673 HydrophobicContact CE2-CZ3 4.3Å; F669-W673 HydrophobicContact CG-CD2 4.24Å; F669-W673 AromaticContact CG-CE3 3.89Å; F669-W673 HydrophobicContact CG-CE3 3.89Å; F669-W673 HydrophobicContact CG-CH2 4.23Å; F669-W673 AromaticContact CG-CZ3 3.88Å; F669-W673 HydrophobicContact CG-CZ3 3.88Å; F669-W673 HydrophobicContact CZ-CH2 4.12Å; F669-W673 HydrophobicContact CZ-CZ2 4.2Å; D670-W673 HydrophobicContact CB-CB 4.4Å; D670-W673 WeakPolarHBondContact O-CB 3.25Å; D670-W673 PolarHBondContact O-N 2.95Å; P671-W673 VanDerWaalsContact C-N 3.31Å; W673-Q698 PolarHBondContact O-NE2 3.26Å | ||
| 674 | I | 92 | Very high | 80.4 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.9 | -174.6 | -163.2 | 72.9 | 0 | 0 | 0 | 111.8 | V546 L572 I585 I641 G642 W643 M672 A696 F697 Q698 V719 | V546-I674 HydrophobicContact CG2-CD1 3.88Å; V546-I674 HydrophobicContact CG2-CG1 3.77Å; L572-I674 HydrophobicContact CD1-CG2 4.29Å; I585-I674 HydrophobicContact CD1-CG2 4.45Å; I641-I674 PolarHBondContact O-N 3.42Å; I641-I674 VanDerWaalsContact O-N 3.14Å; G642-I674 CarbonylContact C-O 3.56Å; G642-I674 WeakPolarHBondContact CA-O 3.5Å; W643-I674 PolarHBondContact N-O 3.37Å; M672-I674 PolarHBondContact O-N 3.43Å; I674-A696 HydrophobicContact CD1-CB 4.09Å; I674-A696 HydrophobicContact CG1-CB 3.97Å; I674-F697 WeakPolarHBondContact CD1-O 3.38Å; I674-Q698 HydrophobicContact CD1-CG 3.63Å; I674-V719 HydrophobicContact CD1-CB 4.03Å; I674-V719 HydrophobicContact CD1-CG1 4.4Å; I674-V719 HydrophobicContact CD1-CG2 3.8Å |
| 675 | G | 93.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 141.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A696 F697 | G675-A696 CarbonylContact O-C 3.59Å; G675-A696 WeakPolarHBondContact O-CA 3.37Å; G675-F697 PolarHBondContact N-O 3.46Å; G675-F697 VanDerWaalsContact N-O 3.09Å; G675-F697 VanDerWaalsContact O-CD1 3.29Å; G675-F697 WeakPolarHBondContact O-CD1 3.27Å; G675-F697 PolarHBondContact O-N 2.88Å |
| 676 | L | 96 | Very high | 80.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.8 | 178.4 | -176.3 | 68.1 | 0 | 0 | 0 | 110.3 | L548 L572 W643 Y644 H645 F678 L695 A696 V721 | L548-L676 HydrophobicContact CD1-CD2 4.47Å; L548-L676 HydrophobicContact CD2-CD2 4.04Å; L572-L676 HydrophobicContact CD1-CB 4Å; L572-L676 HydrophobicContact CD1-CD2 4.33Å; W643-L676 PolarHBondContact O-N 3.49Å; Y644-L676 CarbonylContact C-O 3.51Å; Y644-L676 WeakPolarHBondContact CA-O 3.41Å; Y644-L676 VanDerWaalsContact CB-O 3.25Å; Y644-L676 WeakPolarHBondContact CB-O 3.35Å; H645-L676 PolarHBondContact N-O 2.75Å; L676-F678 HydrophobicContact CD2-CE2 3.41Å; L676-F678 VanDerWaalsContact CD2-CE2 3.41Å; L676-F678 HydrophobicContact CD2-CZ 3.57Å; L676-F678 HydrophobicContact CG-CD2 4.32Å; L676-F678 HydrophobicContact CG-CE2 3.63Å; L676-F678 HydrophobicContact CG-CZ 4.07Å; L676-L695 CarbonylContact C-O 3.58Å; L676-L695 WeakPolarHBondContact CA-O 3.33Å; L676-A696 HydrophobicContact CD1-CB 3.97Å; L676-V721 HydrophobicContact CD1-CG2 4.16Å |
| 677 | I | 95.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.2 | -179 | -52.6 | -169.9 | 0 | 0 | 0 | 109.2 | H645 H647 V652 P654 Y694 L695 F697 | H645-I677 VanDerWaalsContact CE1-CG1 3.49Å; H645-I677 WeakPolarHBondContact CE1-CG1 3.48Å; H645-I677 WeakPolarHBondContact O-CA 3.43Å; H647-I677 HydrophobicContact CB-CG2 4.18Å; V652-I677 HydrophobicContact CG2-CB 4.39Å; V652-I677 HydrophobicContact CG2-CG2 4.38Å; P654-I677 VanDerWaalsContact CA-CD1 3.5Å; P654-I677 HydrophobicContact CB-CD1 3.8Å; P654-I677 HydrophobicContact CG-CD1 3.72Å; I677-Y694 CarbonylContact O-C 3.3Å; I677-Y694 WeakPolarHBondContact O-CA 3.31Å; I677-L695 PolarHBondContact N-O 2.96Å; I677-L695 PolarHBondContact O-N 3.14Å; I677-F697 HydrophobicContact CD1-CD1 4.25Å; I677-F697 HydrophobicContact CD1-CE1 3.74Å; I677-F697 HydrophobicContact CD1-CZ 4.28Å; I677-F697 HydrophobicContact CG1-CD1 4.09Å; I677-F697 HydrophobicContact CG1-CE1 3.63Å |
| 678 | F | 95.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 110.2 | 171.5 | -68.8 | -93.7 | 0 | 0 | 0 | 110.6 | H553 C556 L557 A560 Y644 H645 S646 H647 L676 Q693 Y694 | H553-F678 AromaticContact CD2-CE1 4Å; C556-F678 HydrophobicContact CB-CD2 4.27Å; C556-F678 HydrophobicContact CB-CE1 4.22Å; C556-F678 HydrophobicContact CB-CE2 3.5Å; C556-F678 VanDerWaalsContact CB-CE2 3.5Å; C556-F678 HydrophobicContact CB-CZ 3.47Å; C556-F678 VanDerWaalsContact CB-CZ 3.47Å; L557-F678 HydrophobicContact CD1-CD1 4.35Å; A560-F678 HydrophobicContact CB-CB 4Å; Y644-F678 HydrophobicContact CD2-CD2 4.11Å; Y644-F678 HydrophobicContact CD2-CE2 4.13Å; Y644-F678 HydrophobicContact CG-CE2 4.33Å; H645-F678 PolarHBondContact O-N 3.49Å; S646-F678 CarbonylContact C-O 3.46Å; S646-F678 VanDerWaalsContact CA-O 3.22Å; S646-F678 WeakPolarHBondContact CA-O 3.18Å; H647-F678 PolarHBondContact N-O 3.1Å; L676-F678 HydrophobicContact CD2-CE2 3.41Å; L676-F678 VanDerWaalsContact CD2-CE2 3.41Å; L676-F678 HydrophobicContact CD2-CZ 3.57Å; L676-F678 HydrophobicContact CG-CD2 4.32Å; L676-F678 HydrophobicContact CG-CE2 3.63Å; L676-F678 HydrophobicContact CG-CZ 4.07Å; F678-Q693 CarbonylContact C-O 3.57Å; F678-Y694 HydrophobicContact CE1-CG 4.48Å |
| 679 | A | 94.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H647 I650 V652 Q693 | H647-A679 HydrophobicContact CB-CB 4.36Å; H647-A679 WeakPolarHBondContact O-CA 3.49Å; I650-A679 WeakPolarHBondContact O-CB 3.42Å; V652-A679 HydrophobicContact CB-CB 3.75Å; V652-A679 HydrophobicContact CG2-CB 4.08Å; A679-Q693 HydrophobicContact CB-CB 4.32Å; A679-Q693 PolarHBondContact N-O 3.3Å; A679-Q693 PolarHBondContact O-N 2.78Å |
| 680 | V | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 162.6 | -171.9 | -71.6 | 0 | 0 | 0 | 0 | 110.6 | L557 A560 F561 H647 P648 H649 N682 V692 | L557-V680 HydrophobicContact CD1-CG1 3.95Å; A560-V680 HydrophobicContact CB-CG1 3.85Å; A560-V680 HydrophobicContact CB-CG2 4.06Å; F561-V680 HydrophobicContact CD1-CB 4.17Å; F561-V680 HydrophobicContact CD1-CG1 4.33Å; F561-V680 HydrophobicContact CD2-CG1 4.24Å; F561-V680 HydrophobicContact CE1-CB 3.92Å; F561-V680 HydrophobicContact CE1-CG1 4.08Å; F561-V680 HydrophobicContact CE2-CG1 4Å; F561-V680 HydrophobicContact CG-CG1 4.41Å; F561-V680 HydrophobicContact CZ-CB 4.23Å; F561-V680 HydrophobicContact CZ-CG1 3.91Å; H647-V680 PolarHBondContact O-N 3.32Å; P648-V680 WeakPolarHBondContact CA-O 3.3Å; H649-V680 PolarHBondContact N-O 2.92Å; V680-N682 PolarHBondContact O-N 3.01Å; V680-V692 HydrophobicContact CG1-CG1 4.49Å |
| 681 | F | 91.1 | Very high | 85.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.7 | 20.3 | -176.3 | -47.8 | -80 | 0 | 0 | 0 | 115 | F561 S563 E564 P648 H649 | F561-F681 HydrophobicContact CB-CZ 4.36Å; F561-F681 HydrophobicContact CD1-CD1 4.25Å; F561-F681 AromaticContact CD1-CE1 3.7Å; F561-F681 HydrophobicContact CD1-CE1 3.7Å; F561-F681 HydrophobicContact CD1-CE2 4.09Å; F561-F681 AromaticContact CD1-CZ 3.62Å; F561-F681 HydrophobicContact CD1-CZ 3.62Å; F561-F681 HydrophobicContact CE1-CD1 4.37Å; F561-F681 HydrophobicContact CE1-CE1 4.25Å; F561-F681 HydrophobicContact CE1-CZ 4.47Å; F561-F681 HydrophobicContact CG-CZ 4.45Å; F561-F681 WeakPolarHBondContact O-CZ 3.13Å; S563-F681 WeakPolarHBondContact O-CE2 3.41Å; E564-F681 HydrophobicContact CB-CD1 4.26Å; E564-F681 HydrophobicContact CB-CD2 4.08Å; E564-F681 HydrophobicContact CB-CE1 4.09Å; E564-F681 HydrophobicContact CB-CE2 3.93Å; E564-F681 HydrophobicContact CB-CG 4.25Å; E564-F681 HydrophobicContact CB-CZ 3.91Å; E564-F681 HydrophobicContact CG-CB 4.22Å; E564-F681 HydrophobicContact CG-CD1 4.01Å; E564-F681 HydrophobicContact CG-CD2 4.04Å; E564-F681 HydrophobicContact CG-CE1 4.34Å; E564-F681 HydrophobicContact CG-CE2 4.39Å; E564-F681 HydrophobicContact CG-CG 3.84Å; P648-F681 HydrophobicContact CB-CD2 3.92Å; P648-F681 HydrophobicContact CB-CE2 4.48Å; H649-F681 VanDerWaalsContact CE1-CB 3.48Å; H649-F681 WeakPolarHBondContact CE1-CB 3.48Å; H649-F681 PolarHBondContact CE1-O 3.25Å; H649-F681 PolarHBondContact ND1-O 3.45Å |
| 682 | N | 86.1 | Confident | 86.3 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124 | 173 | -67.1 | -36.1 | 0 | 0 | 0 | 109 | H649 I650 V680 G690 R691 | H649-N682 WeakPolarHBondContact CA-OD1 3.35Å; I650-N682 PolarHBondContact N-OD1 3.32Å; I650-N682 PolarHBondContact O-ND2 3.03Å; V680-N682 PolarHBondContact O-N 3.01Å; N682-G690 CarbonylContact O-C 3.53Å; N682-G690 WeakPolarHBondContact O-CA 3.32Å; N682-R691 PolarHBondContact O-N 3.07Å |
| 683 | N | 84 | Confident | 86.8 | Confident | 111 Ų | 111 | 56 Ų | 56 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135 | 173 | -63.7 | -29.9 | 0 | 0 | 0 | 108.6 | E685 G690 | N683-E685 PolarHBondContact O-N 3.01Å; N683-G690 WeakPolarHBondContact OD1-CA 3.26Å |
| 684 | E | 74.8 | Confident | 87.1 | Confident | 78 Ų | 78 | 60 Ų | 60 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -69.1 | 121.8 | 169.4 | -77.9 | -177.6 | 176.9 | 0 | 0 | 109.4 | D686 T687 G688 L689 R691 | E684-D686 PolarHBondContact O-N 2.84Å; E684-T687 VanDerWaalsContact CB-OG1 3.28Å; E684-T687 WeakPolarHBondContact CB-OG1 3.19Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 PolarHBondContact OE2-OG1 3.45Å; E684-G688 WeakPolarHBondContact O-CA 3.4Å; E684-G688 PolarHBondContact O-N 3.18Å; E684-L689 PolarHBondContact N-O 2.9Å; E684-R691 IonicContact OE1-NH1 2.78Å | ||
| 685 | E | 74.7 | Confident | 87.1 | Confident | 196 Ų | 196 | 61.2 Ų | 61.2 | 92% | 0.916 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35 | -174.4 | -66.6 | -174.9 | 172.3 | 0 | 0 | 112.7 | N683 | N683-E685 PolarHBondContact O-N 3.01Š|
| 686 | D | 74.4 | Confident | 87.2 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 87% | 0.872 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -34.3 | -175.5 | -63.5 | -32.2 | 0 | 0 | 0 | 113.7 | E684 | E684-D686 PolarHBondContact O-N 2.84Š|
| 687 | T | 81.6 | Confident | 87 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -18.8 | -171.4 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | E684 L689 | E684-T687 VanDerWaalsContact CB-OG1 3.28Å; E684-T687 WeakPolarHBondContact CB-OG1 3.19Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 PolarHBondContact OE2-OG1 3.45Å; T687-L689 HydrophobicContact CG2-CD1 4.31Å; T687-L689 PolarHBondContact O-N 3.43Å; T687-L689 WeakPolarHBondContact OG1-CB 3.34Å; T687-L689 PolarHBondContact OG1-N 3.48Å |
| 688 | G | 78.3 | Confident | 86.7 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | trans | 65.8 | 8.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E684 G690 | E684-G688 WeakPolarHBondContact O-CA 3.4Å; E684-G688 PolarHBondContact O-N 3.18Å; G688-G690 PolarHBondContact O-N 3.26Å | ||
| 689 | L | 80.9 | Confident | 85.9 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | trans | -72.5 | 123.1 | 179.2 | -72.8 | 163.7 | 0 | 0 | 0 | 109.6 | E684 T687 R691 | E684-L689 PolarHBondContact N-O 2.9Å; T687-L689 HydrophobicContact CG2-CD1 4.31Å; T687-L689 PolarHBondContact O-N 3.43Å; T687-L689 WeakPolarHBondContact OG1-CB 3.34Å; T687-L689 PolarHBondContact OG1-N 3.48Å; L689-R691 PolarHBondContact O-N 3.43Å | ||
| 690 | G | 81.5 | Confident | 84.4 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | N682 N683 G688 | N682-G690 CarbonylContact O-C 3.53Å; N682-G690 WeakPolarHBondContact O-CA 3.32Å; N683-G690 WeakPolarHBondContact OD1-CA 3.26Å; G688-G690 PolarHBondContact O-N 3.26Å |
| 691 | R | 85.5 | Confident | 82.5 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.9 | -177.9 | -166.7 | 176.7 | -179.8 | 167.6 | -5.4 | 110.2 | N682 E684 L689 Q693 | N682-R691 PolarHBondContact O-N 3.07Å; E684-R691 IonicContact OE1-NH1 2.78Å; L689-R691 PolarHBondContact O-N 3.43Å; R691-Q693 HydrophobicContact CG-CG 3.96Å |
| 692 | V | 90.1 | Very high | 80.1 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.9 | 170.8 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | L557 F561 V680 | L557-V692 HydrophobicContact CD1-CG1 3.51Å; L557-V692 HydrophobicContact CD2-CG1 4.47Å; F561-V692 HydrophobicContact CE2-CG2 4.01Å; F561-V692 HydrophobicContact CZ-CG2 3.52Å; V680-V692 HydrophobicContact CG1-CG1 4.49Å |
| 693 | Q | 91.1 | Very high | 77.7 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151 | 177.7 | -56.1 | -177.6 | -87.2 | 0 | 0 | 110.1 | V652 F678 A679 R691 | V652-Q693 HydrophobicContact CB-CB 3.9Å; V652-Q693 HydrophobicContact CG1-CB 4.21Å; V652-Q693 HydrophobicContact CG2-CB 4.03Å; F678-Q693 CarbonylContact C-O 3.57Å; A679-Q693 HydrophobicContact CB-CB 4.32Å; A679-Q693 PolarHBondContact N-O 3.3Å; A679-Q693 PolarHBondContact O-N 2.78Å; R691-Q693 HydrophobicContact CG-CG 3.96Å |
| 694 | Y | 93.4 | Very high | 75.2 | Confident | 87 Ų | 87 | 72 Ų | 72 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.7 | 171.7 | 56.4 | -92.6 | 0 | 0 | 0 | 111 | H553 I677 F678 V721 I723 | H553-Y694 AromaticContact NE2-CD1 3.84Å; H553-Y694 AromaticContact NE2-CE1 3.73Å; I677-Y694 CarbonylContact O-C 3.3Å; I677-Y694 WeakPolarHBondContact O-CA 3.31Å; F678-Y694 HydrophobicContact CE1-CG 4.48Å; Y694-V721 HydrophobicContact CD2-CB 4.36Å; Y694-V721 HydrophobicContact CD2-CG1 4.4Å; Y694-V721 HydrophobicContact CE2-CB 4.07Å; Y694-V721 HydrophobicContact CE2-CG1 4.12Å; Y694-I723 HydrophobicContact CE1-CD1 4.31Å; Y694-I723 WeakPolarHBondContact OH-CD1 3.25Å |
| 695 | L | 93.1 | Very high | 73.1 | Confident | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 125.3 | -177.7 | 177.5 | 68.9 | 0 | 0 | 0 | 109.9 | V652 F653 P654 L676 I677 Y716 A718 | V652-L695 HydrophobicContact CG1-CB 4.26Å; V652-L695 HydrophobicContact CG2-CB 3.67Å; F653-L695 HydrophobicContact CD1-CD2 4.25Å; P654-L695 HydrophobicContact CG-CD2 4.4Å; L676-L695 CarbonylContact C-O 3.58Å; L676-L695 WeakPolarHBondContact CA-O 3.33Å; I677-L695 PolarHBondContact N-O 2.96Å; I677-L695 PolarHBondContact O-N 3.14Å; L695-Y716 HydrophobicContact CD2-CE2 3.96Å; L695-A718 HydrophobicContact CD1-CB 3.76Å |
| 696 | A | 94 | Very high | 71.2 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 143.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V546 I674 G675 L676 V719 V721 | V546-A696 HydrophobicContact CG2-CB 4.04Å; I674-A696 HydrophobicContact CD1-CB 4.09Å; I674-A696 HydrophobicContact CG1-CB 3.97Å; G675-A696 CarbonylContact O-C 3.59Å; G675-A696 WeakPolarHBondContact O-CA 3.37Å; L676-A696 HydrophobicContact CD1-CB 3.97Å; A696-V719 HydrophobicContact CB-CB 4.23Å; A696-V719 PolarHBondContact O-N 2.86Å; A696-V721 HydrophobicContact CB-CG2 3.26Å |
| 697 | F | 93.2 | Very high | 69.2 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.8 | -178.3 | 73.7 | -74.3 | 0 | 0 | 0 | 112.5 | W643 P654 D658 Q662 I674 G675 I677 Y716 D717 | W643-F697 HydrophobicContact CZ2-CZ 4.23Å; P654-F697 HydrophobicContact CB-CD2 4.07Å; P654-F697 HydrophobicContact CB-CE1 4.43Å; P654-F697 HydrophobicContact CB-CE2 3.79Å; P654-F697 HydrophobicContact CB-CG 4.5Å; P654-F697 HydrophobicContact CB-CZ 4Å; P654-F697 HydrophobicContact CG-CB 4.18Å; P654-F697 HydrophobicContact CG-CD1 3.81Å; P654-F697 HydrophobicContact CG-CD2 3.55Å; P654-F697 HydrophobicContact CG-CE1 4.04Å; P654-F697 HydrophobicContact CG-CE2 3.76Å; P654-F697 HydrophobicContact CG-CG 3.57Å; P654-F697 HydrophobicContact CG-CZ 4.01Å; D658-F697 HydrophobicContact CB-CZ 4.15Å; Q662-F697 HydrophobicContact CB-CD2 4.37Å; Q662-F697 HydrophobicContact CB-CE2 3.5Å; Q662-F697 VanDerWaalsContact CB-CE2 3.5Å; Q662-F697 HydrophobicContact CB-CZ 3.95Å; Q662-F697 HydrophobicContact CG-CD2 3.97Å; Q662-F697 HydrophobicContact CG-CE2 3.56Å; Q662-F697 HydrophobicContact CG-CZ 4.19Å; I674-F697 WeakPolarHBondContact CD1-O 3.38Å; G675-F697 PolarHBondContact N-O 3.46Å; G675-F697 VanDerWaalsContact N-O 3.09Å; G675-F697 VanDerWaalsContact O-CD1 3.29Å; G675-F697 WeakPolarHBondContact O-CD1 3.27Å; G675-F697 PolarHBondContact O-N 2.88Å; I677-F697 HydrophobicContact CD1-CD1 4.25Å; I677-F697 HydrophobicContact CD1-CE1 3.74Å; I677-F697 HydrophobicContact CD1-CZ 4.28Å; I677-F697 HydrophobicContact CG1-CD1 4.09Å; I677-F697 HydrophobicContact CG1-CE1 3.63Å; F697-Y716 HydrophobicContact CB-CD2 3.9Å; F697-Y716 HydrophobicContact CB-CG 4.4Å; F697-Y716 HydrophobicContact CD2-CG 4.48Å; F697-D717 VanDerWaalsContact CA-O 3.26Å; F697-D717 WeakPolarHBondContact CA-O 3.33Å |
| 698 | Q | 88.7 | Confident | 66.8 | Low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.9 | 165.5 | -69.4 | -159.6 | -54.7 | 0 | 0 | 109 | V543 P671 M672 W673 I674 I700 Y716 D717 V719 | V543-Q698 VanDerWaalsContact CG2-CD 3.49Å; V543-Q698 VanDerWaalsContact CG2-NE2 3.33Å; P671-Q698 PolarHBondContact O-NE2 2.88Å; M672-Q698 VanDerWaalsContact CA-NE2 3.34Å; M672-Q698 PolarHBondContact O-NE2 3.28Å; W673-Q698 PolarHBondContact O-NE2 3.26Å; I674-Q698 HydrophobicContact CD1-CG 3.63Å; Q698-I700 HydrophobicContact CB-CG1 4.46Å; Q698-I700 PolarHBondContact O-N 3.06Å; Q698-Y716 CarbonylContact O-C 3.54Å; Q698-Y716 WeakPolarHBondContact O-CA 3.37Å; Q698-D717 PolarHBondContact N-O 3.24Å; Q698-D717 PolarHBondContact O-N 2.85Å; Q698-V719 HydrophobicContact CG-CG2 4.14Å |
| 699 | V | 78.7 | Confident | 64.4 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 102.7 | 167.9 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | N659 Q662 E663 Q666 | N659-V699 HydrophobicContact CB-CG2 3.93Å; N659-V699 VanDerWaalsContact O-CG2 3.28Å; N659-V699 WeakPolarHBondContact O-CG2 3.25Å; Q662-V699 HydrophobicContact CB-CG2 4.14Å; Q662-V699 HydrophobicContact CG-CG2 3.99Å; E663-V699 HydrophobicContact CB-CB 4.09Å; E663-V699 HydrophobicContact CB-CG1 4.02Å; E663-V699 HydrophobicContact CB-CG2 4.41Å; E663-V699 HydrophobicContact CG-CG1 4.26Å; Q666-V699 PolarHBondContact OE1-O 3.02Å |
| 700 | I | 64.4 | Low | 62 | Low | 41 Ų | 41 | 75.8 Ų | 75.8 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | trans | -92.8 | 123.2 | 171.2 | -55.4 | -172.4 | 0 | 0 | 0 | 107.3 | A542 Q698 F702 D717 | A542-I700 HydrophobicContact CB-CD1 4.47Å; Q698-I700 HydrophobicContact CB-CG1 4.46Å; Q698-I700 PolarHBondContact O-N 3.06Å; I700-F702 HydrophobicContact CB-CD2 4.13Å; I700-F702 HydrophobicContact CB-CE2 4.38Å; I700-F702 HydrophobicContact CG2-CD2 3.87Å; I700-F702 HydrophobicContact CG2-CE2 4.07Å; I700-F702 PolarHBondContact O-N 3.32Å; I700-D717 HydrophobicContact CB-CB 4.27Å; I700-D717 HydrophobicContact CD1-CB 3.46Å; I700-D717 VanDerWaalsContact CD1-CB 3.46Å; I700-D717 WeakPolarHBondContact CD1-OD2 3.37Å; I700-D717 HydrophobicContact CG1-CB 3.69Å | ||
| 701 | K | 52.1 | Low | 59.5 | Low | 75 Ų | 75 | 76.4 Ų | 76.4 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | trans | -71.2 | 79.9 | 167.8 | -70.7 | -171.7 | 178.4 | -178.9 | 0 | 109.2 | Y249 E663 I703 | Y249-K701 PolarHBondContact OH-NZ 3.31Å; E663-K701 WeakPolarHBondContact OE1-CE 3.48Å; E663-K701 IonicContact OE1-NZ 3.39Å; E663-K701 PolarHBondContact OE1-NZ 3.12Å; K701-I703 PolarHBondContact O-N 3.17Å; K701-I703 VanDerWaalsContact O-N 3.15Å | ||
| 702 | F | 40.6 | Very low | 57.1 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -64.7 | 111 | 166.4 | -99 | -80.5 | 0 | 0 | 0 | 108.3 | I700 L704 | I700-F702 HydrophobicContact CB-CD2 4.13Å; I700-F702 HydrophobicContact CB-CE2 4.38Å; I700-F702 HydrophobicContact CG2-CD2 3.87Å; I700-F702 HydrophobicContact CG2-CE2 4.07Å; I700-F702 PolarHBondContact O-N 3.32Å; F702-L704 PolarHBondContact O-N 3.46Å | ||
| 703 | I | 37.2 | Very low | 54.4 | Low | 40 Ų | 40 | 77.9 Ų | 77.9 | 21% | 0.205 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.7 | -178 | -69.7 | 158.6 | 0 | 0 | 0 | 111.6 | R255 M256 K701 | R255-I703 HydrophobicContact CB-CD1 4.36Å; R255-I703 HydrophobicContact CG-CD1 3.98Å; M256-I703 HydrophobicContact CB-CG2 4.27Å; M256-I703 HydrophobicContact CG-CG2 3.32Å; K701-I703 PolarHBondContact O-N 3.17Å; K701-I703 VanDerWaalsContact O-N 3.15Å |
| 704 | L | 30.7 | Very low | 52.2 | Low | 129 Ų | 129 | 77.1 Ų | 77.1 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -17.7 | -175 | -117.4 | 88.2 | 0 | 0 | 0 | 116.5 | F702 | F702-L704 PolarHBondContact O-N 3.46Š|
| 705 | C | 30.2 | Very low | 50.6 | Low | 57 Ų | 57 | 78.4 Ų | 78.4 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -96.5 | 6.8 | -175.8 | -112.1 | 0 | 0 | 0 | 0 | 115 | F707 | C705-F707 VanDerWaalsContact C-N 3.27Å; C705-F707 PolarHBondContact O-N 2.94Å |
| 706 | Y | 34.5 | Very low | 49.6 | Very low | 133 Ų | 133 | 79.8 Ų | 79.8 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.6 | -173.4 | -149.1 | -93.7 | 0 | 0 | 0 | 114.4 | H252 | H252-Y706 AromaticContact CE1-CD2 3.9Å; H252-Y706 AromaticContact CE1-CG 4Å |
| 707 | F | 33 | Very low | 48.8 | Very low | 139 Ų | 139 | 82.8 Ų | 82.8 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -3.9 | -177.8 | -81.6 | -76.4 | 0 | 0 | 0 | 115.4 | F253 C705 | F253-F707 HydrophobicContact CD2-CZ 4.5Å; F253-F707 HydrophobicContact CE2-CE2 4.35Å; F253-F707 HydrophobicContact CE2-CZ 4.14Å; C705-F707 VanDerWaalsContact C-N 3.27Å; C705-F707 PolarHBondContact O-N 2.94Å |
| 708 | L | 30.9 | Very low | 48.4 | Very low | 157 Ų | 157 | 85.1 Ų | 85.1 | 82% | 0.822 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -9.3 | -179.7 | -75.5 | 169.9 | 0 | 0 | 0 | 115.1 | ||
| 709 | L | 29.5 | Very low | 48.3 | Very low | 120 Ų | 120 | 85.5 Ų | 85.5 | 63% | 0.628 | 45% | 0.453 | S | S | * | . | trans | -139.2 | 58.6 | 178.3 | -74.2 | 164.4 | 0 | 0 | 0 | 111.3 | A711 | L709-A711 PolarHBondContact O-N 3.37Š| ||
| 710 | Q | 30.3 | Very low | 48.6 | Very low | 156 Ų | 156 | 88.6 Ų | 88.6 | 73% | 0.729 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 78.7 | 163.4 | -74.3 | -156.2 | -17.8 | 0 | 0 | 109.5 | ||
| 711 | A | 28.4 | Very low | 49.8 | Very low | 71 Ų | 71 | 88 Ų | 88 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155 | -15.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L709 | L709-A711 PolarHBondContact O-N 3.37Š|
| 712 | H | 34 | Very low | 51.6 | Low | 171 Ų | 171 | 87.6 Ų | 87.6 | 79% | 0.792 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -143.1 | 146.5 | -173.8 | -63.9 | -72.5 | 0 | 0 | 0 | 111.8 | ||
| 713 | G | 35.2 | Very low | 53.9 | Low | 47 Ų | 47 | 84.6 Ų | 84.6 | 49% | 0.485 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -52.7 | 165.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H715 | G713-H715 PolarHBondContact O-N 3.18Š|
| 714 | G | 43 | Very low | 56.3 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | trans | -36.6 | 133 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N659 Y716 | N659-G714 PolarHBondContact ND2-O 2.99Å; G714-Y716 PolarHBondContact O-N 3.09Å | ||
| 715 | H | 60 | Low | 58.6 | Low | 115 Ų | 115 | 84.1 Ų | 84.1 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | trans | -67.8 | 123.1 | -179.5 | -157.5 | 73.1 | 0 | 0 | 0 | 109.6 | G713 | G713-H715 PolarHBondContact O-N 3.18Š| ||
| 716 | Y | 73 | Confident | 60.6 | Low | 55 Ų | 55 | 85.7 Ų | 85.7 | 22% | 0.216 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 152.3 | 166.1 | 69.9 | -85.3 | 0 | 0 | 0 | 109.5 | F653 P654 N659 L695 F697 Q698 G714 A718 | F653-Y716 WeakPolarHBondContact CD1-OH 3.46Å; P654-Y716 HydrophobicContact CB-CD1 4.42Å; P654-Y716 HydrophobicContact CG-CD1 3.96Å; P654-Y716 HydrophobicContact CG-CD2 4.13Å; P654-Y716 HydrophobicContact CG-CE1 4.26Å; P654-Y716 HydrophobicContact CG-CE2 4.41Å; P654-Y716 HydrophobicContact CG-CG 3.91Å; N659-Y716 WeakPolarHBondContact OD1-CB 3.18Å; L695-Y716 HydrophobicContact CD2-CE2 3.96Å; F697-Y716 HydrophobicContact CB-CD2 3.9Å; F697-Y716 HydrophobicContact CB-CG 4.4Å; F697-Y716 HydrophobicContact CD2-CG 4.48Å; Q698-Y716 CarbonylContact O-C 3.54Å; Q698-Y716 WeakPolarHBondContact O-CA 3.37Å; G714-Y716 PolarHBondContact O-N 3.09Å; Y716-A718 HydrophobicContact CE2-CB 4.37Å |
| 717 | D | 77.1 | Confident | 61.7 | Low | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.6 | 164.1 | -160.5 | 4.9 | 0 | 0 | 0 | 108.7 | F697 Q698 I700 | F697-D717 VanDerWaalsContact CA-O 3.26Å; F697-D717 WeakPolarHBondContact CA-O 3.33Å; Q698-D717 PolarHBondContact N-O 3.24Å; Q698-D717 PolarHBondContact O-N 2.85Å; I700-D717 HydrophobicContact CB-CB 4.27Å; I700-D717 HydrophobicContact CD1-CB 3.46Å; I700-D717 VanDerWaalsContact CD1-CB 3.46Å; I700-D717 WeakPolarHBondContact CD1-OD2 3.37Å; I700-D717 HydrophobicContact CG1-CB 3.69Å |
| 718 | A | 85.2 | Confident | 62.9 | Low | 50 Ų | 50 | 85.7 Ų | 85.7 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L695 Y716 | L695-A718 HydrophobicContact CD1-CB 3.76Å; Y716-A718 HydrophobicContact CE2-CB 4.37Å |
| 719 | V | 86.9 | Confident | 63.8 | Low | 8 Ų | 8 | 82.9 Ų | 82.9 | 5% | 0.048 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.6 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | V543 V546 I674 A696 Q698 V721 | V543-V719 HydrophobicContact CB-CG1 4.32Å; V543-V719 HydrophobicContact CG1-CG1 3.84Å; V546-V719 HydrophobicContact CG2-CB 4.41Å; V546-V719 HydrophobicContact CG2-CG1 3.76Å; I674-V719 HydrophobicContact CD1-CB 4.03Å; I674-V719 HydrophobicContact CD1-CG1 4.4Å; I674-V719 HydrophobicContact CD1-CG2 3.8Å; A696-V719 HydrophobicContact CB-CB 4.23Å; A696-V719 PolarHBondContact O-N 2.86Å; Q698-V719 HydrophobicContact CG-CG2 4.14Å; V719-V721 PolarHBondContact O-N 2.81Å |
| 720 | P | 83.7 | Confident | 65 | Low | 78 Ų | 78 | 86.6 Ų | 86.6 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 127.7 | 176.2 | -25.8 | 33.4 | 0 | 0 | 0 | 112.4 | N544 V546 | N544-P720 WeakPolarHBondContact O-CD 3.41Å; V546-P720 PolarHBondContact N-O 2.89Å |
| 721 | V | 90.5 | Very high | 66.5 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 17% | 0.17 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.7 | 175.3 | -176 | 0 | 0 | 0 | 0 | 109.8 | V546 L548 L676 Y694 A696 V719 | V546-V721 HydrophobicContact CB-CG2 4.3Å; V546-V721 CarbonylContact O-C 3.6Å; V546-V721 WeakPolarHBondContact O-CA 3.44Å; L548-V721 HydrophobicContact CB-CG1 3.94Å; L548-V721 HydrophobicContact CD2-CG1 4.27Å; L676-V721 HydrophobicContact CD1-CG2 4.16Å; Y694-V721 HydrophobicContact CD2-CB 4.36Å; Y694-V721 HydrophobicContact CD2-CG1 4.4Å; Y694-V721 HydrophobicContact CE2-CB 4.07Å; Y694-V721 HydrophobicContact CE2-CG1 4.12Å; A696-V721 HydrophobicContact CB-CG2 3.26Å; V719-V721 PolarHBondContact O-N 2.81Å |
| 722 | I | 88.9 | Confident | 68.2 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 34% | 0.338 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.2 | 175.1 | -60.5 | 172.3 | 0 | 0 | 0 | 107.8 | V546 F547 L548 V724 | V546-I722 PolarHBondContact O-N 2.74Å; F547-I722 WeakPolarHBondContact CA-O 3.34Å; F547-I722 HydrophobicContact CD1-CB 3.86Å; F547-I722 HydrophobicContact CD1-CD1 4.35Å; F547-I722 HydrophobicContact CD1-CG2 3.98Å; F547-I722 HydrophobicContact CE1-CB 4.06Å; F547-I722 HydrophobicContact CE1-CD1 3.71Å; F547-I722 HydrophobicContact CE1-CG1 4.47Å; F547-I722 HydrophobicContact CE1-CG2 4.06Å; F547-I722 HydrophobicContact CZ-CD1 4.16Å; L548-I722 PolarHBondContact N-O 2.97Å; I722-V724 PolarHBondContact O-N 2.85Å |
| 723 | I | 90 | Very high | 70 | Confident | 55 Ų | 55 | 77 Ų | 77 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.5 | 172.5 | -59.3 | 174.4 | 0 | 0 | 0 | 108 | L548 Y694 P725 | L548-I723 CarbonylContact O-C 3.44Å; L548-I723 VanDerWaalsContact O-CA 3.3Å; L548-I723 WeakPolarHBondContact O-CA 3.19Å; Y694-I723 HydrophobicContact CE1-CD1 4.31Å; Y694-I723 WeakPolarHBondContact OH-CD1 3.25Å; I723-P725 VanDerWaalsContact O-CD 3.32Å; I723-P725 WeakPolarHBondContact O-CD 3.37Å |
| 724 | V | 87.2 | Confident | 71.7 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109.8 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | F547 L548 S550 I722 | F547-V724 HydrophobicContact CB-CG2 3.8Å; F547-V724 HydrophobicContact CD1-CG2 3.72Å; F547-V724 HydrophobicContact CG-CG2 4.2Å; L548-V724 PolarHBondContact O-N 2.96Å; S550-V724 PolarHBondContact N-O 3.45Å; I722-V724 PolarHBondContact O-N 2.85Å |
| 725 | P | 80 | Confident | 73.4 | Confident | 94 Ų | 94 | 77.6 Ų | 77.6 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | trans | -68.7 | 143.6 | 177.5 | 29.4 | -34 | 0 | 0 | 0 | 110 | I723 T727 | I723-P725 VanDerWaalsContact O-CD 3.32Å; I723-P725 WeakPolarHBondContact O-CD 3.37Å; P725-T727 PolarHBondContact O-N 2.97Å | ||
| 726 | K | 70.8 | Confident | 74.4 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 39% | 0.391 | 41% | 0.405 | S | S | . | . | trans | -69 | 127.6 | 165.9 | -91.6 | -177.3 | 169.6 | 176.1 | 0 | 110.4 | D551 Q728 D732 | D551-K726 IonicContact OD1-NZ 2.72Å; D551-K726 VanDerWaalsContact OD2-CE 3.29Å; D551-K726 WeakPolarHBondContact OD2-CE 3.39Å; D551-K726 IonicContact OD2-NZ 2.69Å; D551-K726 PolarHBondContact OD2-NZ 2.92Å; K726-Q728 VanDerWaalsContact C-N 3.26Å; K726-Q728 PolarHBondContact O-N 2.92Å; K726-D732 IonicContact NZ-OD2 2.7Å; K726-D732 PolarHBondContact NZ-OD2 2.9Å | ||
| 727 | T | 59.1 | Low | 74.9 | Confident | 141 Ų | 141 | 77.6 Ų | 77.6 | 87% | 0.865 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -78.1 | -8.2 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | P725 | P725-T727 PolarHBondContact O-N 2.97Š|
| 728 | Q | 56.6 | Low | 75.2 | Confident | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -116.4 | 128.2 | 176.8 | -66.2 | -168.6 | -0.9 | 0 | 0 | 110.6 | K726 R730 | K726-Q728 VanDerWaalsContact C-N 3.26Å; K726-Q728 PolarHBondContact O-N 2.92Å; Q728-R730 PolarHBondContact O-N 3.02Å |
| 729 | P | 50.9 | Low | 75.3 | Confident | 99 Ų | 99 | 73 Ų | 73 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | trans | -73.6 | 18 | 178.3 | 30.9 | -34.5 | 0 | 0 | 0 | 113.2 | ||||
| 730 | R | 55.3 | Low | 75.3 | Confident | 197 Ų | 197 | 74.8 Ų | 74.8 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 128.7 | -179.6 | -71.5 | -173.4 | 178.8 | -172.2 | 0.7 | 110.1 | Q728 D732 | Q728-R730 PolarHBondContact O-N 3.02Å; R730-D732 PolarHBondContact O-N 3.22Å |
| 731 | F | 59.9 | Low | 75.5 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 122 | 169 | -165.8 | -86.2 | 0 | 0 | 0 | 110.6 | L736 L800 L803 | F731-L736 HydrophobicContact CE1-CD1 3.37Å; F731-L736 HydrophobicContact CE1-CD2 4.02Å; F731-L736 HydrophobicContact CE1-CG 3.37Å; F731-L736 HydrophobicContact CZ-CD1 3.81Å; F731-L736 HydrophobicContact CZ-CD2 3.62Å; F731-L736 HydrophobicContact CZ-CG 3.53Å; F731-L800 HydrophobicContact CE2-CB 4.41Å; F731-L800 HydrophobicContact CE2-CD2 3.61Å; F731-L800 HydrophobicContact CZ-CD2 3.77Å; F731-L803 HydrophobicContact CD2-CB 4.45Å |
| 732 | D | 65.2 | Low | 75.5 | Confident | 41 Ų | 41 | 73 Ų | 73 | 22% | 0.219 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 121.4 | -178.2 | -173.5 | -11.5 | 0 | 0 | 0 | 110.6 | K726 R730 Q734 L735 | K726-D732 IonicContact NZ-OD2 2.7Å; K726-D732 PolarHBondContact NZ-OD2 2.9Å; R730-D732 PolarHBondContact O-N 3.22Å; D732-Q734 PolarHBondContact O-N 2.94Å; D732-Q734 VanDerWaalsContact O-N 3.14Å; D732-Q734 WeakPolarHBondContact OD1-CB 3.1Å; D732-Q734 PolarHBondContact OD1-N 3.2Å; D732-L735 HydrophobicContact CB-CB 4.49Å; D732-L735 WeakPolarHBondContact O-CB 3.46Å; D732-L735 PolarHBondContact O-N 2.73Å |
| 733 | P | 70.8 | Confident | 75.7 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -50 | -34.5 | 172.1 | -27.3 | 34.9 | 0 | 0 | 0 | 114.1 | L735 L736 D737 | P733-L735 VanDerWaalsContact C-N 3.26Å; P733-L735 PolarHBondContact O-N 2.97Å; P733-L736 WeakPolarHBondContact O-CB 3.49Å; P733-L736 PolarHBondContact O-N 3.48Å; P733-D737 PolarHBondContact O-N 3.21Å; P733-D737 VanDerWaalsContact O-N 3.11Å |
| 734 | Q | 72.4 | Confident | 75.7 | Confident | 82 Ų | 82 | 73 Ų | 73 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 178.4 | -69 | -171.5 | 1.7 | 0 | 0 | 112.7 | D732 L736 D737 H738 | D732-Q734 PolarHBondContact O-N 2.94Å; D732-Q734 VanDerWaalsContact O-N 3.14Å; D732-Q734 WeakPolarHBondContact OD1-CB 3.1Å; D732-Q734 PolarHBondContact OD1-N 3.2Å; Q734-L736 VanDerWaalsContact C-N 3.33Å; Q734-D737 PolarHBondContact O-N 2.8Å; Q734-H738 PolarHBondContact O-CD2 2.76Å; Q734-H738 PolarHBondContact O-N 3.16Å |
| 735 | L | 78.3 | Confident | 75.8 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 177.4 | -178.8 | 60.8 | 0 | 0 | 0 | 110.9 | D551 L554 I555 D732 P733 H738 F739 | D551-L735 HydrophobicContact CB-CD1 4.16Å; L554-L735 HydrophobicContact CD2-CD2 4.39Å; I555-L735 HydrophobicContact CD1-CD1 3.73Å; I555-L735 HydrophobicContact CG1-CD1 3.63Å; D732-L735 HydrophobicContact CB-CB 4.49Å; D732-L735 WeakPolarHBondContact O-CB 3.46Å; D732-L735 PolarHBondContact O-N 2.73Å; P733-L735 VanDerWaalsContact C-N 3.26Å; P733-L735 PolarHBondContact O-N 2.97Å; L735-H738 PolarHBondContact O-N 3.49Å; L735-F739 HydrophobicContact CD1-CD2 4.05Å; L735-F739 HydrophobicContact CD1-CE2 3.57Å; L735-F739 HydrophobicContact CD1-CZ 4.23Å; L735-F739 HydrophobicContact CD2-CE2 4.18Å; L735-F739 HydrophobicContact CG-CD2 3.96Å; L735-F739 HydrophobicContact CG-CE2 3.65Å; L735-F739 WeakPolarHBondContact O-CD2 3.04Å; L735-F739 PolarHBondContact O-N 2.86Å |
| 736 | L | 81 | Confident | 76.3 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 173.4 | -81.5 | -176.1 | 0 | 0 | 0 | 112.2 | F731 P733 Q734 H738 F739 A740 L800 | F731-L736 HydrophobicContact CE1-CD1 3.37Å; F731-L736 HydrophobicContact CE1-CD2 4.02Å; F731-L736 HydrophobicContact CE1-CG 3.37Å; F731-L736 HydrophobicContact CZ-CD1 3.81Å; F731-L736 HydrophobicContact CZ-CD2 3.62Å; F731-L736 HydrophobicContact CZ-CG 3.53Å; P733-L736 WeakPolarHBondContact O-CB 3.49Å; P733-L736 PolarHBondContact O-N 3.48Å; Q734-L736 VanDerWaalsContact C-N 3.33Å; L736-H738 VanDerWaalsContact C-N 3.26Å; L736-H738 PolarHBondContact O-N 3.31Å; L736-F739 PolarHBondContact O-N 2.71Å; L736-A740 WeakPolarHBondContact O-CB 3.4Å; L736-A740 PolarHBondContact O-N 3.09Å; L736-L800 HydrophobicContact CD2-CD1 3.65Å; L736-L800 HydrophobicContact CD2-CD2 4.16Å; L736-L800 HydrophobicContact CD2-CG 4.48Å |
| 737 | D | 83 | Confident | 77.4 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 178.8 | -69.6 | -22.4 | 0 | 0 | 0 | 110.6 | P733 Q734 A740 V741 | P733-D737 PolarHBondContact O-N 3.21Å; P733-D737 VanDerWaalsContact O-N 3.11Å; Q734-D737 PolarHBondContact O-N 2.8Å; D737-A740 PolarHBondContact O-N 2.93Å; D737-V741 WeakPolarHBondContact O-CG2 3.44Å; D737-V741 PolarHBondContact O-N 3.03Å |
| 738 | H | 83.8 | Confident | 78.8 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.5 | -75.9 | -55.7 | 0 | 0 | 0 | 113.1 | I555 N587 C588 Q734 L735 L736 V741 L742 | I555-H738 HydrophobicContact CD1-CB 3.28Å; I555-H738 VanDerWaalsContact CD1-CG 3.48Å; I555-H738 HydrophobicContact CG1-CB 3.89Å; I555-H738 HydrophobicContact CG2-CB 4.29Å; N587-H738 PolarHBondContact ND2-NE2 3.3Å; C588-H738 PolarHBondContact O-CE1 3.48Å; C588-H738 VanDerWaalsContact O-CE1 3.28Å; C588-H738 PolarHBondContact O-ND1 3.45Å; Q734-H738 PolarHBondContact O-CD2 2.76Å; Q734-H738 PolarHBondContact O-N 3.16Å; L735-H738 PolarHBondContact O-N 3.49Å; L736-H738 VanDerWaalsContact C-N 3.26Å; L736-H738 PolarHBondContact O-N 3.31Å; H738-V741 PolarHBondContact O-N 3.09Å; H738-L742 PolarHBondContact O-N 2.86Å |
| 739 | F | 87.3 | Confident | 80.3 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -39 | 174.9 | -80.5 | -55.3 | 0 | 0 | 0 | 112.8 | L554 T558 L735 L736 V741 L742 I743 L796 | L554-F739 HydrophobicContact CD2-CE2 4.4Å; L554-F739 HydrophobicContact CD2-CZ 4.06Å; L554-F739 HydrophobicContact CG-CZ 4.07Å; T558-F739 HydrophobicContact CG2-CE1 3.95Å; L735-F739 HydrophobicContact CD1-CD2 4.05Å; L735-F739 HydrophobicContact CD1-CE2 3.57Å; L735-F739 HydrophobicContact CD1-CZ 4.23Å; L735-F739 HydrophobicContact CD2-CE2 4.18Å; L735-F739 HydrophobicContact CG-CD2 3.96Å; L735-F739 HydrophobicContact CG-CE2 3.65Å; L735-F739 WeakPolarHBondContact O-CD2 3.04Å; L735-F739 PolarHBondContact O-N 2.86Å; L736-F739 PolarHBondContact O-N 2.71Å; F739-V741 VanDerWaalsContact C-N 3.33Å; F739-V741 PolarHBondContact O-N 3.01Å; F739-L742 PolarHBondContact O-N 3.31Å; F739-I743 VanDerWaalsContact O-CG1 3.3Å; F739-I743 WeakPolarHBondContact O-CG1 3.15Å; F739-I743 PolarHBondContact O-N 3.46Å; F739-L796 HydrophobicContact CB-CD2 3.86Å; F739-L796 HydrophobicContact CD1-CD1 3.92Å; F739-L796 HydrophobicContact CD1-CD2 3.66Å; F739-L796 HydrophobicContact CD1-CG 4.46Å; F739-L796 HydrophobicContact CD2-CD1 4.16Å; F739-L796 HydrophobicContact CD2-CD2 4.4Å; F739-L796 HydrophobicContact CE1-CD1 3.73Å; F739-L796 HydrophobicContact CE1-CD2 4.3Å; F739-L796 HydrophobicContact CE2-CD1 3.96Å; F739-L796 HydrophobicContact CG-CD1 4.15Å; F739-L796 HydrophobicContact CG-CD2 3.73Å; F739-L796 HydrophobicContact CZ-CD1 3.74Å |
| 740 | A | 87.6 | Confident | 82.1 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L736 D737 I743 N744 | L736-A740 WeakPolarHBondContact O-CB 3.4Å; L736-A740 PolarHBondContact O-N 3.09Å; D737-A740 PolarHBondContact O-N 2.93Å; A740-I743 PolarHBondContact O-N 3.06Å; A740-N744 WeakPolarHBondContact O-CB 3.42Å; A740-N744 VanDerWaalsContact O-CG 3.25Å; A740-N744 PolarHBondContact O-N 2.69Å; A740-N744 PolarHBondContact O-ND2 3.31Å |
| 741 | V | 88.1 | Confident | 83.8 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | D737 H738 F739 I743 N744 V745 | D737-V741 WeakPolarHBondContact O-CG2 3.44Å; D737-V741 PolarHBondContact O-N 3.03Å; H738-V741 PolarHBondContact O-N 3.09Å; F739-V741 VanDerWaalsContact C-N 3.33Å; F739-V741 PolarHBondContact O-N 3.01Å; V741-I743 VanDerWaalsContact C-N 3.35Å; V741-I743 PolarHBondContact O-N 2.83Å; V741-N744 PolarHBondContact O-N 2.79Å; V741-V745 HydrophobicContact CG1-CG2 4.31Å; V741-V745 WeakPolarHBondContact O-CG2 3.2Å; V741-V745 PolarHBondContact O-N 3.32Å |
| 742 | L | 90 | Very high | 85.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 176.9 | 173.7 | 58.7 | 0 | 0 | 0 | 111.8 | T558 H559 Q590 H738 F739 N744 V745 L746 | T558-L742 HydrophobicContact CG2-CD2 3.95Å; H559-L742 HydrophobicContact CB-CD1 3.92Å; H559-L742 HydrophobicContact CB-CD2 4.25Å; H559-L742 WeakPolarHBondContact CD2-CD1 3.43Å; Q590-L742 HydrophobicContact CB-CD1 4.42Å; Q590-L742 HydrophobicContact CG-CB 4.14Å; Q590-L742 HydrophobicContact CG-CD1 3.96Å; H738-L742 PolarHBondContact O-N 2.86Å; F739-L742 PolarHBondContact O-N 3.31Å; L742-N744 VanDerWaalsContact C-N 3.34Å; L742-N744 PolarHBondContact O-N 3.17Å; L742-V745 PolarHBondContact O-N 3.3Å; L742-L746 HydrophobicContact CD1-CD1 4.12Å; L742-L746 HydrophobicContact CD1-CG 4.22Å; L742-L746 HydrophobicContact CG-CD1 4.29Å; L742-L746 WeakPolarHBondContact O-CG 3.36Å; L742-L746 PolarHBondContact O-N 2.84Å |
| 743 | I | 91.6 | Very high | 86.1 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 179.1 | -69.7 | 166.6 | 0 | 0 | 0 | 110.8 | F739 A740 V741 L746 F747 V793 L796 | F739-I743 VanDerWaalsContact O-CG1 3.3Å; F739-I743 WeakPolarHBondContact O-CG1 3.15Å; F739-I743 PolarHBondContact O-N 3.46Å; A740-I743 PolarHBondContact O-N 3.06Å; V741-I743 VanDerWaalsContact C-N 3.35Å; V741-I743 PolarHBondContact O-N 2.83Å; I743-L746 PolarHBondContact O-N 3.09Å; I743-F747 HydrophobicContact CG2-CD2 3.61Å; I743-F747 HydrophobicContact CG2-CE2 3.27Å; I743-F747 HydrophobicContact CG2-CZ 4.22Å; I743-F747 VanDerWaalsContact O-CD2 3.32Å; I743-F747 WeakPolarHBondContact O-CD2 3.47Å; I743-F747 PolarHBondContact O-N 2.89Å; I743-V793 HydrophobicContact CD1-CG1 4.48Å; I743-V793 HydrophobicContact CD1-CG2 4.12Å; I743-V793 HydrophobicContact CG1-CG2 4.19Å; I743-V793 HydrophobicContact CG2-CG2 4.05Å; I743-L796 HydrophobicContact CD1-CD2 4.02Å |
| 744 | N | 91.9 | Very high | 87 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 177.4 | -71 | -25.4 | 0 | 0 | 0 | 111.9 | A740 V741 L742 L746 F747 D748 | A740-N744 WeakPolarHBondContact O-CB 3.42Å; A740-N744 VanDerWaalsContact O-CG 3.25Å; A740-N744 PolarHBondContact O-N 2.69Å; A740-N744 PolarHBondContact O-ND2 3.31Å; V741-N744 PolarHBondContact O-N 2.79Å; L742-N744 VanDerWaalsContact C-N 3.34Å; L742-N744 PolarHBondContact O-N 3.17Å; N744-L746 VanDerWaalsContact C-N 3.29Å; N744-L746 PolarHBondContact O-N 2.87Å; N744-F747 PolarHBondContact O-N 3.16Å; N744-D748 WeakPolarHBondContact O-CB 3.3Å; N744-D748 VanDerWaalsContact O-CG 3.28Å; N744-D748 PolarHBondContact O-N 2.88Å |
| 745 | V | 89 | Confident | 87.7 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | K592 V741 L742 D748 E749 | K592-V745 HydrophobicContact CB-CG1 4.41Å; V741-V745 HydrophobicContact CG1-CG2 4.31Å; V741-V745 WeakPolarHBondContact O-CG2 3.2Å; V741-V745 PolarHBondContact O-N 3.32Å; L742-V745 PolarHBondContact O-N 3.3Å; V745-D748 PolarHBondContact O-N 2.8Å; V745-E749 WeakPolarHBondContact O-CG 3.21Å; V745-E749 PolarHBondContact O-N 3.4Å |
| 746 | L | 90.5 | Very high | 87.9 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 179.3 | -65.7 | 172.8 | 0 | 0 | 0 | 112.6 | L742 I743 N744 E749 E750 I788 L792 | L742-L746 HydrophobicContact CD1-CD1 4.12Å; L742-L746 HydrophobicContact CD1-CG 4.22Å; L742-L746 HydrophobicContact CG-CD1 4.29Å; L742-L746 WeakPolarHBondContact O-CG 3.36Å; L742-L746 PolarHBondContact O-N 2.84Å; I743-L746 PolarHBondContact O-N 3.09Å; N744-L746 VanDerWaalsContact C-N 3.29Å; N744-L746 PolarHBondContact O-N 2.87Å; L746-E749 PolarHBondContact O-N 3.36Å; L746-E750 PolarHBondContact O-N 2.9Å; L746-I788 HydrophobicContact CB-CD1 4.19Å; L746-I788 HydrophobicContact CB-CG2 4.41Å; L746-L792 HydrophobicContact CD1-CD2 3.26Å |
| 747 | F | 92.4 | Very high | 88 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 23% | 0.228 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 174.7 | -73.8 | -47.2 | 0 | 0 | 0 | 112.6 | I743 N744 E749 E750 L751 V785 I788 V789 V793 | I743-F747 HydrophobicContact CG2-CD2 3.61Å; I743-F747 HydrophobicContact CG2-CE2 3.27Å; I743-F747 HydrophobicContact CG2-CZ 4.22Å; I743-F747 VanDerWaalsContact O-CD2 3.32Å; I743-F747 WeakPolarHBondContact O-CD2 3.47Å; I743-F747 PolarHBondContact O-N 2.89Å; N744-F747 PolarHBondContact O-N 3.16Å; F747-E749 VanDerWaalsContact C-N 3.28Å; F747-E749 PolarHBondContact O-N 3.49Å; F747-E750 PolarHBondContact O-N 3.37Å; F747-L751 WeakPolarHBondContact O-CB 3.28Å; F747-L751 PolarHBondContact O-N 2.83Å; F747-V785 HydrophobicContact CD1-CG1 4.14Å; F747-V785 HydrophobicContact CD1-CG2 4.46Å; F747-V785 HydrophobicContact CE1-CG1 3.77Å; F747-I788 HydrophobicContact CD1-CD1 4.18Å; F747-I788 HydrophobicContact CD1-CG2 4.31Å; F747-I788 HydrophobicContact CE1-CB 3.98Å; F747-I788 HydrophobicContact CE1-CD1 4.42Å; F747-I788 HydrophobicContact CE1-CG2 3.77Å; F747-I788 HydrophobicContact CZ-CG2 4.05Å; F747-V789 HydrophobicContact CE1-CG2 4.14Å; F747-V789 HydrophobicContact CZ-CG2 3.8Å; F747-V793 HydrophobicContact CZ-CG2 4.38Å |
| 748 | D | 89.8 | Confident | 87.9 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 43% | 0.433 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -32.5 | 177.9 | -77 | -10.7 | 0 | 0 | 0 | 111.7 | K592 N744 V745 D752 | K592-D748 WeakPolarHBondContact CE-O 3.42Å; K592-D748 VanDerWaalsContact NZ-C 3.31Å; K592-D748 PolarHBondContact NZ-O 2.91Å; N744-D748 WeakPolarHBondContact O-CB 3.3Å; N744-D748 VanDerWaalsContact O-CG 3.28Å; N744-D748 PolarHBondContact O-N 2.88Å; V745-D748 PolarHBondContact O-N 2.8Å; D748-D752 WeakPolarHBondContact O-CB 3.19Å; D748-D752 PolarHBondContact O-N 2.9Å |
| 749 | E | 87.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 173.5 | -76.9 | -178.7 | 170.2 | 0 | 0 | 112.9 | K592 R593 V745 L746 F747 L751 G753 | K592-E749 WeakPolarHBondContact CA-OE1 3.43Å; K592-E749 HydrophobicContact CD-CG 4.33Å; K592-E749 HydrophobicContact CG-CG 3.54Å; R593-E749 WeakPolarHBondContact CB-OE1 3.38Å; R593-E749 WeakPolarHBondContact CG-OE1 3.41Å; R593-E749 IonicContact CZ-OE2 3.75Å; R593-E749 PolarHBondContact N-OE1 2.86Å; R593-E749 IonicContact NE-OE1 3.82Å; R593-E749 PolarHBondContact NE-OE1 2.84Å; R593-E749 IonicContact NE-OE2 3.72Å; R593-E749 PolarHBondContact NE-OE2 3.33Å; R593-E749 IonicContact NH2-OE2 2.64Å; R593-E749 PolarHBondContact NH2-OE2 3.45Å; V745-E749 WeakPolarHBondContact O-CG 3.21Å; V745-E749 PolarHBondContact O-N 3.4Å; L746-E749 PolarHBondContact O-N 3.36Å; F747-E749 VanDerWaalsContact C-N 3.28Å; F747-E749 PolarHBondContact O-N 3.49Å; E749-L751 VanDerWaalsContact C-N 3.33Å; E749-G753 PolarHBondContact O-N 3.09Å |
| 750 | E | 89.6 | Confident | 86 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 176.3 | -66.5 | -58.8 | 147.5 | 0 | 0 | 111 | L746 F747 G753 Y754 Y781 R784 V785 I788 | L746-E750 PolarHBondContact O-N 2.9Å; F747-E750 PolarHBondContact O-N 3.37Å; E750-G753 PolarHBondContact O-N 3.21Å; E750-Y754 WeakPolarHBondContact O-CB 3.33Å; E750-Y754 PolarHBondContact O-N 3.38Å; E750-Y781 HydrophobicContact CB-CD2 4.17Å; E750-Y781 HydrophobicContact CB-CE2 3.98Å; E750-Y781 WeakPolarHBondContact O-CD2 3.42Å; E750-R784 HydrophobicContact CG-CB 4.18Å; E750-R784 WeakPolarHBondContact OE2-CB 3.13Å; E750-R784 WeakPolarHBondContact OE2-CG 3.23Å; E750-V785 HydrophobicContact CB-CG2 4.48Å; E750-I788 HydrophobicContact CG-CD1 3.58Å |
| 751 | L | 91.2 | Very high | 84.4 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 177.8 | -177.6 | 61.1 | 0 | 0 | 0 | 112.3 | F747 E749 G753 Y754 T755 Y781 | F747-L751 WeakPolarHBondContact O-CB 3.28Å; F747-L751 PolarHBondContact O-N 2.83Å; E749-L751 VanDerWaalsContact C-N 3.33Å; L751-G753 VanDerWaalsContact C-N 3.34Å; L751-Y754 PolarHBondContact O-N 3.4Å; L751-T755 WeakPolarHBondContact O-CB 3.41Å; L751-T755 PolarHBondContact O-N 2.84Å; L751-T755 PolarHBondContact O-OG1 3.27Å; L751-Y781 HydrophobicContact CB-CE2 4.24Å; L751-Y781 HydrophobicContact CD1-CE2 4.39Å |
| 752 | D | 86.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.1 | -89.8 | 27.3 | 0 | 0 | 0 | 111.6 | K592 D748 Y754 T755 K756 | K592-D752 WeakPolarHBondContact CE-OD2 3.29Å; K592-D752 IonicContact NZ-OD1 2.98Å; K592-D752 PolarHBondContact NZ-OD1 2.89Å; K592-D752 IonicContact NZ-OD2 3.56Å; K592-D752 PolarHBondContact NZ-OD2 2.9Å; D748-D752 WeakPolarHBondContact O-CB 3.19Å; D748-D752 PolarHBondContact O-N 2.9Å; D752-Y754 VanDerWaalsContact C-N 3.32Å; D752-T755 PolarHBondContact O-N 2.84Å; D752-K756 WeakPolarHBondContact O-CB 3.33Å; D752-K756 WeakPolarHBondContact O-CG 3.27Å; D752-K756 PolarHBondContact O-N 3.26Å |
| 753 | G | 85.6 | Confident | 80.7 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | E749 E750 L751 A757 | E749-G753 PolarHBondContact O-N 3.09Å; E750-G753 PolarHBondContact O-N 3.21Å; L751-G753 VanDerWaalsContact C-N 3.34Å; G753-A757 WeakPolarHBondContact O-CB 3.34Å; G753-A757 PolarHBondContact O-N 3.38Å; G753-A757 VanDerWaalsContact O-N 3.11Å |
| 754 | Y | 89.9 | Confident | 78.9 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 175.8 | 175.2 | -111.4 | 0 | 0 | 0 | 112.6 | E750 L751 D752 K756 A757 A758 N777 A778 Y781 | E750-Y754 WeakPolarHBondContact O-CB 3.33Å; E750-Y754 PolarHBondContact O-N 3.38Å; L751-Y754 PolarHBondContact O-N 3.4Å; D752-Y754 VanDerWaalsContact C-N 3.32Å; Y754-K756 PolarHBondContact O-N 3.47Å; Y754-A757 CarbonylContact O-C 3.57Å; Y754-A757 PolarHBondContact O-N 3.44Å; Y754-A757 VanDerWaalsContact O-N 3.13Å; Y754-A758 WeakPolarHBondContact O-CB 3.39Å; Y754-A758 PolarHBondContact O-N 2.91Å; Y754-N777 HydrophobicContact CD2-CB 4.41Å; Y754-N777 HydrophobicContact CE2-CB 4.2Å; Y754-A778 HydrophobicContact CE2-CB 4.02Å; Y754-Y781 HydrophobicContact CD1-CD1 4.32Å; Y754-Y781 HydrophobicContact CD1-CG 4.28Å; Y754-Y781 HydrophobicContact CD2-CG 4.08Å; Y754-Y781 HydrophobicContact CG-CD1 4.23Å; Y754-Y781 HydrophobicContact CG-CD2 4.09Å; Y754-Y781 AromaticContact CG-CG 3.77Å; Y754-Y781 HydrophobicContact CG-CG 3.77Å |
| 755 | T | 86.9 | Confident | 77.4 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 180 | -54.7 | 0 | 0 | 0 | 0 | 111 | L751 D752 A757 A758 E759 | L751-T755 WeakPolarHBondContact O-CB 3.41Å; L751-T755 PolarHBondContact O-N 2.84Å; L751-T755 PolarHBondContact O-OG1 3.27Å; D752-T755 PolarHBondContact O-N 2.84Å; T755-A757 VanDerWaalsContact C-N 3.31Å; T755-A757 PolarHBondContact O-N 3.36Å; T755-A758 PolarHBondContact O-N 3.45Å; T755-A758 VanDerWaalsContact O-N 3.16Å; T755-E759 HydrophobicContact CG2-CG 4.3Å; T755-E759 WeakPolarHBondContact O-CB 3.4Å; T755-E759 WeakPolarHBondContact O-CG 3.29Å; T755-E759 PolarHBondContact O-N 2.88Å |
| 756 | K | 83.1 | Confident | 76 | Confident | 133 Ų | 133 | 73.2 Ų | 73.2 | 58% | 0.578 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | 175.6 | -73.4 | 173.1 | -178 | 170.2 | 0 | 112.7 | D752 Y754 G760 | D752-K756 WeakPolarHBondContact O-CB 3.33Å; D752-K756 WeakPolarHBondContact O-CG 3.27Å; D752-K756 PolarHBondContact O-N 3.26Å; Y754-K756 PolarHBondContact O-N 3.47Å; K756-G760 PolarHBondContact O-N 2.82Å |
| 757 | A | 83.5 | Confident | 74.7 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.7 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | G753 Y754 T755 L769 N777 | G753-A757 WeakPolarHBondContact O-CB 3.34Å; G753-A757 PolarHBondContact O-N 3.38Å; G753-A757 VanDerWaalsContact O-N 3.11Å; Y754-A757 CarbonylContact O-C 3.57Å; Y754-A757 PolarHBondContact O-N 3.44Å; Y754-A757 VanDerWaalsContact O-N 3.13Å; T755-A757 VanDerWaalsContact C-N 3.31Å; T755-A757 PolarHBondContact O-N 3.36Å; A757-L769 VanDerWaalsContact O-CD1 3.27Å; A757-L769 WeakPolarHBondContact O-CD1 3.46Å; A757-N777 PolarHBondContact O-ND2 3.14Å |
| 758 | A | 79.5 | Confident | 73.5 | Confident | 31 Ų | 31 | 83 Ų | 83 | 26% | 0.256 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.8 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y754 T755 G760 L769 L774 | Y754-A758 WeakPolarHBondContact O-CB 3.39Å; Y754-A758 PolarHBondContact O-N 2.91Å; T755-A758 PolarHBondContact O-N 3.45Å; T755-A758 VanDerWaalsContact O-N 3.16Å; A758-G760 PolarHBondContact O-N 2.99Å; A758-L769 WeakPolarHBondContact O-CD1 3.42Å; A758-L774 HydrophobicContact CB-CD2 4.43Å |
| 759 | E | 73.5 | Confident | 72.9 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73.6 | -14 | 172.8 | -70.6 | 177.5 | 171.4 | 0 | 0 | 112.5 | T755 L761 | T755-E759 HydrophobicContact CG2-CG 4.3Å; T755-E759 WeakPolarHBondContact O-CB 3.4Å; T755-E759 WeakPolarHBondContact O-CG 3.29Å; T755-E759 PolarHBondContact O-N 2.88Å; E759-L761 PolarHBondContact O-N 3.5Å |
| 760 | G | 58.2 | Low | 72.6 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 34.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K756 A758 C762 | K756-G760 PolarHBondContact O-N 2.82Å; A758-G760 PolarHBondContact O-N 2.99Å; G760-C762 WeakPolarHBondContact O-CA 3.28Å; G760-C762 PolarHBondContact O-N 3.28Å; G760-C762 PolarHBondContact O-SG 2.97Å |
| 761 | L | 53.5 | Low | 72.4 | Confident | 166 Ų | 166 | 87.1 Ų | 87.1 | 87% | 0.869 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.4 | 44.8 | 176.1 | -80.1 | 167.8 | 0 | 0 | 0 | 113.2 | E759 Q763 | E759-L761 PolarHBondContact O-N 3.5Å; L761-Q763 PolarHBondContact O-N 2.99Å |
| 762 | C | 50.3 | Low | 72.3 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 42% | 0.419 | 54% | 0.537 | S | S | . | . | trans | -71.3 | 106 | -175.3 | -74.1 | 0 | 0 | 0 | 0 | 105.1 | G760 D766 | G760-C762 WeakPolarHBondContact O-CA 3.28Å; G760-C762 PolarHBondContact O-N 3.28Å; G760-C762 PolarHBondContact O-SG 2.97Å; C762-D766 HydrophobicContact CB-CB 4.21Å | ||
| 763 | Q | 51.6 | Low | 72.3 | Confident | 145 Ų | 145 | 90.2 Ų | 90.2 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | trans | -59.6 | 149.7 | 159.6 | -68 | -158.4 | 1.8 | 0 | 0 | 106.7 | L761 G765 D766 | L761-Q763 PolarHBondContact O-N 2.99Å; Q763-G765 PolarHBondContact O-N 3.48Å; Q763-D766 PolarHBondContact N-OD2 3.49Å; Q763-D766 VanDerWaalsContact N-OD2 3.07Å; Q763-D766 PolarHBondContact O-N 2.69Å | ||
| 764 | P | 53 | Low | 72.4 | Confident | 142 Ų | 142 | 91.7 Ų | 91.7 | 92% | 0.922 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 104.3 | 175.7 | -17.7 | 28.7 | 0 | 0 | 0 | 109.1 | ||
| 765 | G | 60.3 | Low | 72.3 | Confident | 81 Ų | 81 | 91.3 Ų | 91.3 | 84% | 0.835 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.7 | -17 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q763 | Q763-G765 PolarHBondContact O-N 3.48Š|
| 766 | D | 60.2 | Low | 72.6 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -76 | 141.2 | 177.8 | -71 | -37.3 | 0 | 0 | 0 | 111.9 | C762 Q763 | C762-D766 HydrophobicContact CB-CB 4.21Å; Q763-D766 PolarHBondContact N-OD2 3.49Å; Q763-D766 VanDerWaalsContact N-OD2 3.07Å; Q763-D766 PolarHBondContact O-N 2.69Å |
| 767 | L | 62.7 | Low | 72.9 | Confident | 160 Ų | 160 | 88.2 Ų | 88.2 | 84% | 0.838 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 142.3 | 173.1 | -84.2 | 142.8 | 0 | 0 | 0 | 109.6 | ||
| 768 | P | 68.2 | Low | 73.3 | Confident | 107 Ų | 107 | 87.7 Ų | 87.7 | 70% | 0.695 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 144.5 | 173 | 22.6 | -31.5 | 0 | 0 | 0 | 110.7 | D770 | P768-D770 PolarHBondContact O-N 3.23Š|
| 769 | L | 75.7 | Confident | 74 | Confident | 54 Ų | 54 | 90.3 Ų | 90.3 | 28% | 0.283 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 135 | 174.4 | -80.3 | 153.9 | 0 | 0 | 0 | 110.7 | A757 A758 T773 L774 | A757-L769 VanDerWaalsContact O-CD1 3.27Å; A757-L769 WeakPolarHBondContact O-CD1 3.46Å; A758-L769 WeakPolarHBondContact O-CD1 3.42Å; L769-T773 HydrophobicContact CD2-CG2 3.51Å; L769-L774 HydrophobicContact CB-CD1 4.44Å; L769-L774 HydrophobicContact CB-CD2 4.45Å; L769-L774 HydrophobicContact CB-CG 4.06Å |
| 770 | D | 81.6 | Confident | 74.9 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 158 | 177 | 73.4 | 77.9 | 0 | 0 | 0 | 111.3 | P768 L772 T773 L774 | P768-D770 PolarHBondContact O-N 3.23Å; D770-L772 VanDerWaalsContact C-N 3.26Å; D770-L772 PolarHBondContact O-N 2.84Å; D770-L772 WeakPolarHBondContact OD1-CA 3.32Å; D770-L772 VanDerWaalsContact OD1-CB 3.24Å; D770-L772 WeakPolarHBondContact OD1-CB 3.34Å; D770-L772 PolarHBondContact OD1-N 3Å; D770-T773 PolarHBondContact O-N 3.22Å; D770-T773 PolarHBondContact OD1-N 3.41Å; D770-T773 PolarHBondContact OD1-OG1 2.58Å; D770-T773 PolarHBondContact OD2-OG1 2.95Å; D770-L774 PolarHBondContact O-N 3.49Å |
| 771 | A | 85.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -29.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A775 | A771-A775 VanDerWaalsContact O-CB 3.31Å; A771-A775 WeakPolarHBondContact O-CB 2.92Å; A771-A775 PolarHBondContact O-N 3.31Å |
| 772 | L | 89.4 | Confident | 78.5 | Confident | 146 Ų | 146 | 84.3 Ų | 84.3 | 76% | 0.764 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.5 | -41.4 | 177.1 | -68.7 | 163.3 | 0 | 0 | 0 | 110.3 | D770 A775 N776 | D770-L772 VanDerWaalsContact C-N 3.26Å; D770-L772 PolarHBondContact O-N 2.84Å; D770-L772 WeakPolarHBondContact OD1-CA 3.32Å; D770-L772 VanDerWaalsContact OD1-CB 3.24Å; D770-L772 WeakPolarHBondContact OD1-CB 3.34Å; D770-L772 PolarHBondContact OD1-N 3Å; L772-A775 PolarHBondContact O-N 3.01Å; L772-N776 VanDerWaalsContact O-CB 3.27Å; L772-N776 WeakPolarHBondContact O-CB 3.4Å; L772-N776 PolarHBondContact O-N 3.4Å |
| 773 | T | 87.5 | Confident | 80.6 | Confident | 47 Ų | 47 | 85.2 Ų | 85.2 | 29% | 0.288 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L769 D770 N776 N777 | L769-T773 HydrophobicContact CD2-CG2 3.51Å; D770-T773 PolarHBondContact O-N 3.22Å; D770-T773 PolarHBondContact OD1-N 3.41Å; D770-T773 PolarHBondContact OD1-OG1 2.58Å; D770-T773 PolarHBondContact OD2-OG1 2.95Å; T773-N776 PolarHBondContact O-N 2.88Å; T773-N777 WeakPolarHBondContact O-CB 3.29Å; T773-N777 PolarHBondContact O-N 3.34Å |
| 774 | L | 86.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 173 | -78.2 | 165.2 | 0 | 0 | 0 | 112.1 | A758 L769 D770 N776 N777 A778 | A758-L774 HydrophobicContact CB-CD2 4.43Å; L769-L774 HydrophobicContact CB-CD1 4.44Å; L769-L774 HydrophobicContact CB-CD2 4.45Å; L769-L774 HydrophobicContact CB-CG 4.06Å; D770-L774 PolarHBondContact O-N 3.49Å; L774-N776 VanDerWaalsContact C-N 3.35Å; L774-N776 PolarHBondContact O-N 3.31Å; L774-N777 PolarHBondContact O-N 2.92Å; L774-A778 WeakPolarHBondContact O-CB 3.4Å; L774-A778 PolarHBondContact O-N 3.06Å |
| 775 | A | 89 | Confident | 84.4 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A771 L772 A778 C779 | A771-A775 VanDerWaalsContact O-CB 3.31Å; A771-A775 WeakPolarHBondContact O-CB 2.92Å; A771-A775 PolarHBondContact O-N 3.31Å; L772-A775 PolarHBondContact O-N 3.01Å; A775-A778 PolarHBondContact O-N 2.88Å; A775-C779 WeakPolarHBondContact O-CB 3.39Å; A775-C779 PolarHBondContact O-N 3.05Å |
| 776 | N | 92.2 | Very high | 86 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.3 | 179.4 | 67.3 | 0 | 0 | 0 | 111.4 | L772 T773 L774 A778 C779 I780 | L772-N776 VanDerWaalsContact O-CB 3.27Å; L772-N776 WeakPolarHBondContact O-CB 3.4Å; L772-N776 PolarHBondContact O-N 3.4Å; T773-N776 PolarHBondContact O-N 2.88Å; L774-N776 VanDerWaalsContact C-N 3.35Å; L774-N776 PolarHBondContact O-N 3.31Å; N776-A778 VanDerWaalsContact C-N 3.32Å; N776-A778 PolarHBondContact O-N 3.32Å; N776-C779 PolarHBondContact O-N 3.36Å; N776-I780 WeakPolarHBondContact ND2-CD1 3.43Å; N776-I780 WeakPolarHBondContact O-CG1 3.39Å; N776-I780 PolarHBondContact O-N 2.85Å |
| 777 | N | 90.4 | Very high | 87.5 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.16 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.1 | -70.6 | -11.4 | 0 | 0 | 0 | 111.6 | Y754 A757 T773 L774 I780 Y781 | Y754-N777 HydrophobicContact CD2-CB 4.41Å; Y754-N777 HydrophobicContact CE2-CB 4.2Å; A757-N777 PolarHBondContact O-ND2 3.14Å; T773-N777 WeakPolarHBondContact O-CB 3.29Å; T773-N777 PolarHBondContact O-N 3.34Å; L774-N777 PolarHBondContact O-N 2.92Å; N777-I780 PolarHBondContact O-N 3.41Å; N777-Y781 PolarHBondContact O-N 3.13Å |
| 778 | A | 91.4 | Very high | 88.8 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y754 L774 A775 N776 Y781 S782 | Y754-A778 HydrophobicContact CE2-CB 4.02Å; L774-A778 WeakPolarHBondContact O-CB 3.4Å; L774-A778 PolarHBondContact O-N 3.06Å; A775-A778 PolarHBondContact O-N 2.88Å; N776-A778 VanDerWaalsContact C-N 3.32Å; N776-A778 PolarHBondContact O-N 3.32Å; A778-Y781 PolarHBondContact O-N 3.02Å; A778-S782 WeakPolarHBondContact O-CB 3.31Å; A778-S782 PolarHBondContact O-N 2.93Å; A778-S782 PolarHBondContact O-OG 2.99Å |
| 779 | C | 93.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 175.5 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | A775 N776 S782 S783 | A775-C779 WeakPolarHBondContact O-CB 3.39Å; A775-C779 PolarHBondContact O-N 3.05Å; N776-C779 PolarHBondContact O-N 3.36Å; C779-S782 PolarHBondContact O-N 2.54Å; C779-S783 WeakPolarHBondContact O-CB 3.17Å; C779-S783 PolarHBondContact O-N 2.96Å |
| 780 | I | 92.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 76.6 Ų | 76.6 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.9 | -68.5 | 167.5 | 0 | 0 | 0 | 110 | N776 N777 S782 S783 R784 | N776-I780 WeakPolarHBondContact ND2-CD1 3.43Å; N776-I780 WeakPolarHBondContact O-CG1 3.39Å; N776-I780 PolarHBondContact O-N 2.85Å; N777-I780 PolarHBondContact O-N 3.41Å; I780-S782 PolarHBondContact O-N 3.09Å; I780-S783 PolarHBondContact O-N 2.85Å; I780-R784 HydrophobicContact CG2-CG 4.34Å; I780-R784 VanDerWaalsContact O-CG 3.24Å; I780-R784 WeakPolarHBondContact O-CG 3.5Å; I780-R784 PolarHBondContact O-N 3.14Å |
| 781 | Y | 93.2 | Very high | 91 | Very high | 58 Ų | 58 | 76.7 Ų | 76.7 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57 | -49 | 177.1 | 171.2 | -110.4 | 0 | 0 | 0 | 111.9 | E750 L751 Y754 N777 A778 S783 R784 V785 | E750-Y781 HydrophobicContact CB-CD2 4.17Å; E750-Y781 HydrophobicContact CB-CE2 3.98Å; E750-Y781 WeakPolarHBondContact O-CD2 3.42Å; L751-Y781 HydrophobicContact CB-CE2 4.24Å; L751-Y781 HydrophobicContact CD1-CE2 4.39Å; Y754-Y781 HydrophobicContact CD1-CD1 4.32Å; Y754-Y781 HydrophobicContact CD1-CG 4.28Å; Y754-Y781 HydrophobicContact CD2-CG 4.08Å; Y754-Y781 HydrophobicContact CG-CD1 4.23Å; Y754-Y781 HydrophobicContact CG-CD2 4.09Å; Y754-Y781 AromaticContact CG-CG 3.77Å; Y754-Y781 HydrophobicContact CG-CG 3.77Å; N777-Y781 PolarHBondContact O-N 3.13Å; A778-Y781 PolarHBondContact O-N 3.02Å; Y781-S783 VanDerWaalsContact C-N 3.34Å; Y781-S783 PolarHBondContact O-N 2.94Å; Y781-R784 PolarHBondContact O-N 2.88Å; Y781-R784 VanDerWaalsContact O-N 3.16Å; Y781-V785 HydrophobicContact CD2-CG2 4Å; Y781-V785 HydrophobicContact CE1-CG2 4.13Å; Y781-V785 HydrophobicContact CE2-CG2 3.51Å; Y781-V785 HydrophobicContact CG-CG2 4.5Å; Y781-V785 WeakPolarHBondContact O-CG2 3.26Å; Y781-V785 PolarHBondContact O-N 3.25Å |
| 782 | S | 94.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | A778 C779 I780 R784 V785 C786 | A778-S782 WeakPolarHBondContact O-CB 3.31Å; A778-S782 PolarHBondContact O-N 2.93Å; A778-S782 PolarHBondContact O-OG 2.99Å; C779-S782 PolarHBondContact O-N 2.54Å; I780-S782 PolarHBondContact O-N 3.09Å; S782-R784 VanDerWaalsContact C-N 3.34Å; S782-R784 PolarHBondContact O-N 3.47Å; S782-V785 PolarHBondContact O-N 3.47Å; S782-C786 WeakPolarHBondContact O-CB 3.45Å; S782-C786 PolarHBondContact O-N 2.95Å; S782-C786 PolarHBondContact O-SG 3.38Å |
| 783 | S | 94.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 56% | 0.559 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | C779 I780 Y781 K787 | C779-S783 WeakPolarHBondContact O-CB 3.17Å; C779-S783 PolarHBondContact O-N 2.96Å; I780-S783 PolarHBondContact O-N 2.85Å; Y781-S783 VanDerWaalsContact C-N 3.34Å; Y781-S783 PolarHBondContact O-N 2.94Å; S783-K787 PolarHBondContact O-N 3.49Å |
| 784 | R | 91.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 72 Ų | 72 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 178 | -65.9 | -75.2 | 177 | -172.4 | -1.2 | 112.3 | E750 I780 Y781 S782 K787 I788 | E750-R784 HydrophobicContact CG-CB 4.18Å; E750-R784 WeakPolarHBondContact OE2-CB 3.13Å; E750-R784 WeakPolarHBondContact OE2-CG 3.23Å; I780-R784 HydrophobicContact CG2-CG 4.34Å; I780-R784 VanDerWaalsContact O-CG 3.24Å; I780-R784 WeakPolarHBondContact O-CG 3.5Å; I780-R784 PolarHBondContact O-N 3.14Å; Y781-R784 PolarHBondContact O-N 2.88Å; Y781-R784 VanDerWaalsContact O-N 3.16Å; S782-R784 VanDerWaalsContact C-N 3.34Å; S782-R784 PolarHBondContact O-N 3.47Å; R784-K787 WeakPolarHBondContact O-CB 3.43Å; R784-K787 PolarHBondContact O-N 2.85Å; R784-K787 VanDerWaalsContact O-N 3.16Å; R784-I788 PolarHBondContact O-N 3.41Å |
| 785 | V | 92.9 | Very high | 91.3 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | F747 E750 Y781 S782 K787 I788 V789 | F747-V785 HydrophobicContact CD1-CG1 4.14Å; F747-V785 HydrophobicContact CD1-CG2 4.46Å; F747-V785 HydrophobicContact CE1-CG1 3.77Å; E750-V785 HydrophobicContact CB-CG2 4.48Å; Y781-V785 HydrophobicContact CD2-CG2 4Å; Y781-V785 HydrophobicContact CE1-CG2 4.13Å; Y781-V785 HydrophobicContact CE2-CG2 3.51Å; Y781-V785 HydrophobicContact CG-CG2 4.5Å; Y781-V785 WeakPolarHBondContact O-CG2 3.26Å; Y781-V785 PolarHBondContact O-N 3.25Å; S782-V785 PolarHBondContact O-N 3.47Å; V785-K787 VanDerWaalsContact C-N 3.25Å; V785-K787 PolarHBondContact O-N 3.04Å; V785-I788 PolarHBondContact O-N 2.71Å; V785-V789 WeakPolarHBondContact O-CG2 3.41Å; V785-V789 PolarHBondContact O-N 3.33Å; V785-V789 VanDerWaalsContact O-N 3.07Å |
| 786 | C | 94.4 | Very high | 91.1 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 57% | 0.568 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.7 | -36.6 | 175.6 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | S782 V789 Y790 | S782-C786 WeakPolarHBondContact O-CB 3.45Å; S782-C786 PolarHBondContact O-N 2.95Å; S782-C786 PolarHBondContact O-SG 3.38Å; C786-V789 PolarHBondContact O-N 3.48Å; C786-Y790 WeakPolarHBondContact O-CB 3.23Å; C786-Y790 PolarHBondContact O-N 3.35Å |
| 787 | K | 91.4 | Very high | 90.8 | Very high | 111 Ų | 111 | 69.9 Ų | 69.9 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 175.7 | -171.4 | 175.1 | 173.5 | 58.1 | 0 | 111.9 | S783 R784 V785 V789 Y790 D791 | S783-K787 PolarHBondContact O-N 3.49Å; R784-K787 WeakPolarHBondContact O-CB 3.43Å; R784-K787 PolarHBondContact O-N 2.85Å; R784-K787 VanDerWaalsContact O-N 3.16Å; V785-K787 VanDerWaalsContact C-N 3.25Å; V785-K787 PolarHBondContact O-N 3.04Å; K787-V789 VanDerWaalsContact C-N 3.31Å; K787-V789 PolarHBondContact O-N 3.25Å; K787-Y790 PolarHBondContact O-N 3.12Å; K787-D791 WeakPolarHBondContact CE-OD2 3.39Å; K787-D791 WeakPolarHBondContact CG-OD2 3.49Å; K787-D791 IonicContact NZ-OD2 3.9Å; K787-D791 PolarHBondContact NZ-OD2 2.93Å; K787-D791 VanDerWaalsContact O-CB 3.25Å; K787-D791 WeakPolarHBondContact O-CB 3.15Å; K787-D791 PolarHBondContact O-N 2.97Å |
| 788 | I | 90 | Very high | 90.6 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.8 | -65.5 | 168.2 | 0 | 0 | 0 | 110.6 | L746 F747 E750 R784 V785 L792 V793 | L746-I788 HydrophobicContact CB-CD1 4.19Å; L746-I788 HydrophobicContact CB-CG2 4.41Å; F747-I788 HydrophobicContact CD1-CD1 4.18Å; F747-I788 HydrophobicContact CD1-CG2 4.31Å; F747-I788 HydrophobicContact CE1-CB 3.98Å; F747-I788 HydrophobicContact CE1-CD1 4.42Å; F747-I788 HydrophobicContact CE1-CG2 3.77Å; F747-I788 HydrophobicContact CZ-CG2 4.05Å; E750-I788 HydrophobicContact CG-CD1 3.58Å; R784-I788 PolarHBondContact O-N 3.41Å; V785-I788 PolarHBondContact O-N 2.71Å; I788-L792 WeakPolarHBondContact O-CB 3.48Å; I788-L792 PolarHBondContact O-N 2.84Å; I788-V793 HydrophobicContact CG2-CG2 4.4Å; I788-V793 PolarHBondContact O-N 3.31Å |
| 789 | V | 92.3 | Very high | 90 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -62 | -47 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | F747 V785 C786 K787 V793 H794 | F747-V789 HydrophobicContact CE1-CG2 4.14Å; F747-V789 HydrophobicContact CZ-CG2 3.8Å; V785-V789 WeakPolarHBondContact O-CG2 3.41Å; V785-V789 PolarHBondContact O-N 3.33Å; V785-V789 VanDerWaalsContact O-N 3.07Å; C786-V789 PolarHBondContact O-N 3.48Å; K787-V789 VanDerWaalsContact C-N 3.31Å; K787-V789 PolarHBondContact O-N 3.25Å; V789-V793 PolarHBondContact O-N 3.32Å; V789-H794 WeakPolarHBondContact O-CB 3.39Å; V789-H794 PolarHBondContact O-N 3.48Å |
| 790 | Y | 92.1 | Very high | 89.2 | Confident | 176 Ų | 176 | 70.2 Ų | 70.2 | 69% | 0.69 | 37% | 0.371 | S | S | * | . | I | π-helix | trans | -74.5 | -42.6 | -175.8 | -167.6 | -91.2 | 0 | 0 | 0 | 113.1 | C786 K787 P795 | C786-Y790 WeakPolarHBondContact O-CB 3.23Å; C786-Y790 PolarHBondContact O-N 3.35Å; K787-Y790 PolarHBondContact O-N 3.12Å; Y790-P795 WeakPolarHBondContact O-CD 3.45Å |
| 791 | D | 88.1 | Confident | 88.6 | Confident | 85 Ų | 85 | 70 Ų | 70 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -85 | -24.9 | -172.4 | -66.2 | -10.5 | 0 | 0 | 0 | 112.7 | K787 | K787-D791 WeakPolarHBondContact CE-OD2 3.39Å; K787-D791 WeakPolarHBondContact CG-OD2 3.49Å; K787-D791 IonicContact NZ-OD2 3.9Å; K787-D791 PolarHBondContact NZ-OD2 2.93Å; K787-D791 VanDerWaalsContact O-CB 3.25Å; K787-D791 WeakPolarHBondContact O-CB 3.15Å; K787-D791 PolarHBondContact O-N 2.97Å |
| 792 | L | 87.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | I | π-helix | trans | -122.4 | -57.2 | -176.6 | 179.7 | 66.1 | 0 | 0 | 0 | 113.2 | T558 L746 I788 H794 P795 L796 | T558-L792 HydrophobicContact CG2-CD1 3.66Å; L746-L792 HydrophobicContact CD1-CD2 3.26Å; I788-L792 WeakPolarHBondContact O-CB 3.48Å; I788-L792 PolarHBondContact O-N 2.84Å; L792-H794 PolarHBondContact O-N 3.3Å; L792-P795 WeakPolarHBondContact O-CD 3.27Å; L792-L796 WeakPolarHBondContact O-CB 3.36Å; L792-L796 PolarHBondContact O-N 3.19Å |
| 793 | V | 88.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | I | π-helix | trans | -66.1 | -43.7 | -170.4 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | I743 F747 I788 V789 L796 L797 | I743-V793 HydrophobicContact CD1-CG1 4.48Å; I743-V793 HydrophobicContact CD1-CG2 4.12Å; I743-V793 HydrophobicContact CG1-CG2 4.19Å; I743-V793 HydrophobicContact CG2-CG2 4.05Å; F747-V793 HydrophobicContact CZ-CG2 4.38Å; I788-V793 HydrophobicContact CG2-CG2 4.4Å; I788-V793 PolarHBondContact O-N 3.31Å; V789-V793 PolarHBondContact O-N 3.32Å; V793-L796 PolarHBondContact O-N 3.13Å; V793-L797 HydrophobicContact CG1-CD1 3.83Å; V793-L797 HydrophobicContact CG1-CG 4.31Å; V793-L797 WeakPolarHBondContact O-CB 3.47Å; V793-L797 VanDerWaalsContact O-CG 3.32Å; V793-L797 WeakPolarHBondContact O-CG 3.29Å; V793-L797 PolarHBondContact O-N 3.38Å |
| 794 | H | 89.1 | Confident | 85.7 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 57% | 0.569 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68 | -48.2 | -178.9 | -174.3 | -85.6 | 0 | 0 | 0 | 112.7 | V789 L792 L796 L797 S798 | V789-H794 WeakPolarHBondContact O-CB 3.39Å; V789-H794 PolarHBondContact O-N 3.48Å; L792-H794 PolarHBondContact O-N 3.3Å; H794-L796 VanDerWaalsContact C-N 3.33Å; H794-L796 PolarHBondContact O-N 3.38Å; H794-L797 PolarHBondContact O-N 2.8Å; H794-S798 WeakPolarHBondContact O-CB 3.34Å; H794-S798 PolarHBondContact O-N 3.1Å |
| 795 | P | 88.2 | Confident | 84.9 | Confident | 60 Ų | 60 | 70 Ų | 70 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 171.3 | -27.4 | 35.6 | 0 | 0 | 0 | 112.9 | Y790 L792 S798 V799 | Y790-P795 WeakPolarHBondContact O-CD 3.45Å; L792-P795 WeakPolarHBondContact O-CD 3.27Å; P795-S798 WeakPolarHBondContact O-CB 3.45Å; P795-S798 PolarHBondContact O-N 3.07Å; P795-V799 WeakPolarHBondContact O-CG2 3.49Å; P795-V799 PolarHBondContact O-N 2.92Å |
| 796 | L | 84.7 | Confident | 83.8 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 178.9 | -177 | 68.8 | 0 | 0 | 0 | 111.4 | F739 I743 L792 V793 H794 S798 V799 L800 | F739-L796 HydrophobicContact CB-CD2 3.86Å; F739-L796 HydrophobicContact CD1-CD1 3.92Å; F739-L796 HydrophobicContact CD1-CD2 3.66Å; F739-L796 HydrophobicContact CD1-CG 4.46Å; F739-L796 HydrophobicContact CD2-CD1 4.16Å; F739-L796 HydrophobicContact CD2-CD2 4.4Å; F739-L796 HydrophobicContact CE1-CD1 3.73Å; F739-L796 HydrophobicContact CE1-CD2 4.3Å; F739-L796 HydrophobicContact CE2-CD1 3.96Å; F739-L796 HydrophobicContact CG-CD1 4.15Å; F739-L796 HydrophobicContact CG-CD2 3.73Å; F739-L796 HydrophobicContact CZ-CD1 3.74Å; I743-L796 HydrophobicContact CD1-CD2 4.02Å; L792-L796 WeakPolarHBondContact O-CB 3.36Å; L792-L796 PolarHBondContact O-N 3.19Å; V793-L796 PolarHBondContact O-N 3.13Å; H794-L796 VanDerWaalsContact C-N 3.33Å; H794-L796 PolarHBondContact O-N 3.38Å; L796-S798 VanDerWaalsContact C-N 3.29Å; L796-S798 PolarHBondContact O-N 2.98Å; L796-V799 PolarHBondContact O-N 2.87Å; L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.33Å; L796-L800 HydrophobicContact CD2-CD1 4.37Å; L796-L800 HydrophobicContact CG-CD1 3.84Å; L796-L800 HydrophobicContact CG-CG 4.29Å; L796-L800 WeakPolarHBondContact O-CB 3.46Å; L796-L800 WeakPolarHBondContact O-CG 3.44Å; L796-L800 PolarHBondContact O-N 3.06Å |
| 797 | L | 85.6 | Confident | 82.4 | Confident | 97 Ų | 97 | 71 Ų | 71 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 174.2 | -80 | 169 | 0 | 0 | 0 | 110.9 | V793 H794 V799 L800 T801 | V793-L797 HydrophobicContact CG1-CD1 3.83Å; V793-L797 HydrophobicContact CG1-CG 4.31Å; V793-L797 WeakPolarHBondContact O-CB 3.47Å; V793-L797 VanDerWaalsContact O-CG 3.32Å; V793-L797 WeakPolarHBondContact O-CG 3.29Å; V793-L797 PolarHBondContact O-N 3.38Å; H794-L797 PolarHBondContact O-N 2.8Å; L797-V799 PolarHBondContact O-N 3.15Å; L797-L800 PolarHBondContact O-N 3.39Å; L797-T801 WeakPolarHBondContact O-CB 3.38Å; L797-T801 PolarHBondContact O-N 2.8Å; L797-T801 PolarHBondContact O-OG1 2.93Å |
| 798 | S | 85.8 | Confident | 81.1 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | H794 P795 L796 T801 N802 | H794-S798 WeakPolarHBondContact O-CB 3.34Å; H794-S798 PolarHBondContact O-N 3.1Å; P795-S798 WeakPolarHBondContact O-CB 3.45Å; P795-S798 PolarHBondContact O-N 3.07Å; L796-S798 VanDerWaalsContact C-N 3.29Å; L796-S798 PolarHBondContact O-N 2.98Å; S798-T801 PolarHBondContact O-N 2.64Å; S798-N802 WeakPolarHBondContact O-CB 3.44Å; S798-N802 PolarHBondContact O-N 3.2Å; S798-N802 PolarHBondContact O-ND2 2.81Å; S798-N802 VanDerWaalsContact O-ND2 3.16Å |
| 799 | V | 80.1 | Confident | 79.8 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111 | P795 L796 L797 N802 L803 | P795-V799 WeakPolarHBondContact O-CG2 3.49Å; P795-V799 PolarHBondContact O-N 2.92Å; L796-V799 PolarHBondContact O-N 2.87Å; L797-V799 PolarHBondContact O-N 3.15Å; V799-N802 PolarHBondContact O-N 2.9Å; V799-L803 HydrophobicContact CG1-CD1 3.94Å; V799-L803 HydrophobicContact CG1-CG 4.35Å; V799-L803 WeakPolarHBondContact O-CB 3.38Å; V799-L803 VanDerWaalsContact O-CG 3.26Å; V799-L803 WeakPolarHBondContact O-CG 3.37Å; V799-L803 PolarHBondContact O-N 2.97Å |
| 800 | L | 76.2 | Confident | 78.2 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 9% | 0.094 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 179.5 | -65.2 | 170 | 0 | 0 | 0 | 111.6 | F731 L736 L796 L797 L803 C804 | F731-L800 HydrophobicContact CE2-CB 4.41Å; F731-L800 HydrophobicContact CE2-CD2 3.61Å; F731-L800 HydrophobicContact CZ-CD2 3.77Å; L736-L800 HydrophobicContact CD2-CD1 3.65Å; L736-L800 HydrophobicContact CD2-CD2 4.16Å; L736-L800 HydrophobicContact CD2-CG 4.48Å; L796-L800 HydrophobicContact CD1-CD1 4.3Å; L796-L800 HydrophobicContact CD1-CG 4.33Å; L796-L800 HydrophobicContact CD2-CD1 4.37Å; L796-L800 HydrophobicContact CG-CD1 3.84Å; L796-L800 HydrophobicContact CG-CG 4.29Å; L796-L800 WeakPolarHBondContact O-CB 3.46Å; L796-L800 WeakPolarHBondContact O-CG 3.44Å; L796-L800 PolarHBondContact O-N 3.06Å; L797-L800 PolarHBondContact O-N 3.39Å; L800-L803 PolarHBondContact O-N 3.37Å; L800-C804 WeakPolarHBondContact O-CB 3.35Å; L800-C804 PolarHBondContact O-N 3.48Å |
| 801 | T | 80.4 | Confident | 76.6 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | L797 S798 L803 C804 D805 | L797-T801 WeakPolarHBondContact O-CB 3.38Å; L797-T801 PolarHBondContact O-N 2.8Å; L797-T801 PolarHBondContact O-OG1 2.93Å; S798-T801 PolarHBondContact O-N 2.64Å; T801-L803 VanDerWaalsContact C-N 3.3Å; T801-L803 PolarHBondContact O-N 2.89Å; T801-C804 WeakPolarHBondContact O-CB 3.42Å; T801-C804 PolarHBondContact O-N 3.31Å; T801-C804 VanDerWaalsContact O-N 3.15Å; T801-D805 VanDerWaalsContact O-CG 3.3Å; T801-D805 PolarHBondContact O-N 3.34Å |
| 802 | N | 78.4 | Confident | 75.1 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 176.3 | -71.8 | -26.9 | 0 | 0 | 0 | 112.2 | S798 V799 D805 N806 | S798-N802 WeakPolarHBondContact O-CB 3.44Å; S798-N802 PolarHBondContact O-N 3.2Å; S798-N802 PolarHBondContact O-ND2 2.81Å; S798-N802 VanDerWaalsContact O-ND2 3.16Å; V799-N802 PolarHBondContact O-N 2.9Å; N802-D805 PolarHBondContact O-N 3.43Å; N802-N806 VanDerWaalsContact O-CB 3.27Å; N802-N806 WeakPolarHBondContact O-CB 3.18Å; N802-N806 PolarHBondContact O-N 2.78Å; N802-N806 PolarHBondContact O-ND2 3.17Å |
| 803 | L | 70.7 | Confident | 73.7 | Confident | 77 Ų | 77 | 75.9 Ų | 75.9 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 175.1 | -75 | 172 | 0 | 0 | 0 | 111.9 | F731 V799 L800 T801 S807 | F731-L803 HydrophobicContact CD2-CB 4.45Å; V799-L803 HydrophobicContact CG1-CD1 3.94Å; V799-L803 HydrophobicContact CG1-CG 4.35Å; V799-L803 WeakPolarHBondContact O-CB 3.38Å; V799-L803 VanDerWaalsContact O-CG 3.26Å; V799-L803 WeakPolarHBondContact O-CG 3.37Å; V799-L803 PolarHBondContact O-N 2.97Å; L800-L803 PolarHBondContact O-N 3.37Å; T801-L803 VanDerWaalsContact C-N 3.3Å; T801-L803 PolarHBondContact O-N 2.89Å; L803-S807 VanDerWaalsContact O-CB 3.3Å; L803-S807 WeakPolarHBondContact O-CB 3.39Å; L803-S807 PolarHBondContact O-N 3.18Å; L803-S807 PolarHBondContact O-OG 2.62Å |
| 804 | C | 71.6 | Confident | 72 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 171.1 | -87.9 | 0 | 0 | 0 | 0 | 111.1 | L800 T801 N806 S807 V808 | L800-C804 WeakPolarHBondContact O-CB 3.35Å; L800-C804 PolarHBondContact O-N 3.48Å; T801-C804 WeakPolarHBondContact O-CB 3.42Å; T801-C804 PolarHBondContact O-N 3.31Å; T801-C804 VanDerWaalsContact O-N 3.15Å; C804-N806 PolarHBondContact O-N 3.22Å; C804-S807 WeakPolarHBondContact O-CB 3.43Å; C804-S807 PolarHBondContact O-N 3.2Å; C804-S807 VanDerWaalsContact O-N 3.17Å; C804-V808 WeakPolarHBondContact O-CG2 3.1Å; C804-V808 PolarHBondContact O-N 3.35Å |
| 805 | D | 73.5 | Confident | 69.7 | Low | 95 Ų | 95 | 79.5 Ų | 79.5 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | -179.8 | -69 | -17.5 | 0 | 0 | 0 | 111.5 | T801 N802 V808 G809 | T801-D805 VanDerWaalsContact O-CG 3.3Å; T801-D805 PolarHBondContact O-N 3.34Å; N802-D805 PolarHBondContact O-N 3.43Å; D805-V808 PolarHBondContact O-N 3.44Å; D805-G809 PolarHBondContact O-N 3.31Å |
| 806 | N | 69.7 | Low | 67.4 | Low | 101 Ų | 101 | 81.9 Ų | 81.9 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 174.5 | -74.1 | -26.3 | 0 | 0 | 0 | 112.4 | N802 C804 V808 G809 Q810 | N802-N806 VanDerWaalsContact O-CB 3.27Å; N802-N806 WeakPolarHBondContact O-CB 3.18Å; N802-N806 PolarHBondContact O-N 2.78Å; N802-N806 PolarHBondContact O-ND2 3.17Å; C804-N806 PolarHBondContact O-N 3.22Å; N806-V808 VanDerWaalsContact C-N 3.33Å; N806-G809 PolarHBondContact O-N 3.42Å; N806-Q810 WeakPolarHBondContact O-CB 3.27Å; N806-Q810 WeakPolarHBondContact O-CG 3.45Å; N806-Q810 PolarHBondContact O-N 3.24Å |
| 807 | S | 65 | Low | 65.5 | Low | 35 Ų | 35 | 87.6 Ų | 87.6 | 25% | 0.245 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | L803 C804 V811 | L803-S807 VanDerWaalsContact O-CB 3.3Å; L803-S807 WeakPolarHBondContact O-CB 3.39Å; L803-S807 PolarHBondContact O-N 3.18Å; L803-S807 PolarHBondContact O-OG 2.62Å; C804-S807 WeakPolarHBondContact O-CB 3.43Å; C804-S807 PolarHBondContact O-N 3.2Å; C804-S807 VanDerWaalsContact O-N 3.17Å; S807-V811 WeakPolarHBondContact O-CB 3.18Å; S807-V811 WeakPolarHBondContact O-CG2 3.29Å; S807-V811 PolarHBondContact O-N 2.85Å |
| 808 | V | 64.5 | Low | 63.1 | Low | 83 Ų | 83 | 87 Ų | 87 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | C804 D805 N806 V811 L812 | C804-V808 WeakPolarHBondContact O-CG2 3.1Å; C804-V808 PolarHBondContact O-N 3.35Å; D805-V808 PolarHBondContact O-N 3.44Å; N806-V808 VanDerWaalsContact C-N 3.33Å; V808-V811 PolarHBondContact O-N 3.26Å; V808-L812 HydrophobicContact CG1-CD1 3.85Å; V808-L812 HydrophobicContact CG1-CG 4.41Å; V808-L812 WeakPolarHBondContact O-CB 3.49Å; V808-L812 VanDerWaalsContact O-CG 3.23Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 2.95Å |
| 809 | G | 63.3 | Low | 60.6 | Low | 26 Ų | 26 | 91.2 Ų | 91.2 | 27% | 0.268 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D805 N806 V811 L812 E813 | D805-G809 PolarHBondContact O-N 3.31Å; N806-G809 PolarHBondContact O-N 3.42Å; G809-V811 PolarHBondContact O-N 3.43Å; G809-L812 CarbonylContact O-C 3.53Å; G809-L812 WeakPolarHBondContact O-CB 3.27Å; G809-L812 PolarHBondContact O-N 2.85Å; G809-L812 VanDerWaalsContact O-N 3.16Å; G809-E813 PolarHBondContact O-N 3.42Å |
| 810 | Q | 59.2 | Low | 58.5 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 175.7 | -75 | -176.1 | 6.9 | 0 | 0 | 112.1 | N806 L812 E813 S814 | N806-Q810 WeakPolarHBondContact O-CB 3.27Å; N806-Q810 WeakPolarHBondContact O-CG 3.45Å; N806-Q810 PolarHBondContact O-N 3.24Å; Q810-L812 VanDerWaalsContact C-N 3.29Å; Q810-L812 PolarHBondContact O-N 2.96Å; Q810-E813 PolarHBondContact O-N 3.34Å; Q810-S814 WeakPolarHBondContact O-CA 3.35Å; Q810-S814 WeakPolarHBondContact O-CB 3.33Å; Q810-S814 PolarHBondContact O-N 2.76Å; Q810-S814 PolarHBondContact O-OG 3.19Å |
| 811 | V | 57.2 | Low | 56.6 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 173.6 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | S807 V808 G809 S814 | S807-V811 WeakPolarHBondContact O-CB 3.18Å; S807-V811 WeakPolarHBondContact O-CG2 3.29Å; S807-V811 PolarHBondContact O-N 2.85Å; V808-V811 PolarHBondContact O-N 3.26Å; G809-V811 PolarHBondContact O-N 3.43Å; V811-S814 WeakPolarHBondContact CA-OG 3.47Å; V811-S814 PolarHBondContact O-OG 3.34Å; V811-S814 VanDerWaalsContact O-OG 3.08Å |
| 812 | L | 58 | Low | 54.5 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.3 | -38.8 | 176.1 | -69.7 | 167.9 | 0 | 0 | 0 | 112.8 | V808 G809 Q810 | V808-L812 HydrophobicContact CG1-CD1 3.85Å; V808-L812 HydrophobicContact CG1-CG 4.41Å; V808-L812 WeakPolarHBondContact O-CB 3.49Å; V808-L812 VanDerWaalsContact O-CG 3.23Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 2.95Å; G809-L812 CarbonylContact O-C 3.53Å; G809-L812 WeakPolarHBondContact O-CB 3.27Å; G809-L812 PolarHBondContact O-N 2.85Å; G809-L812 VanDerWaalsContact O-N 3.16Å; Q810-L812 VanDerWaalsContact C-N 3.29Å; Q810-L812 PolarHBondContact O-N 2.96Å |
| 813 | E | 56.9 | Low | 52.6 | Low | 168 Ų | 168 | 99.3 Ų | 99.3 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.9 | -30 | 176.5 | -75.1 | -178.9 | 169.5 | 0 | 0 | 113 | G809 Q810 Q815 | G809-E813 PolarHBondContact O-N 3.42Å; Q810-E813 PolarHBondContact O-N 3.34Å; E813-Q815 PolarHBondContact O-N 2.68Å |
| 814 | S | 53.5 | Low | 51.3 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 57% | 0.573 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -1 | 176.4 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | Q810 V811 P816 | Q810-S814 WeakPolarHBondContact O-CA 3.35Å; Q810-S814 WeakPolarHBondContact O-CB 3.33Å; Q810-S814 PolarHBondContact O-N 2.76Å; Q810-S814 PolarHBondContact O-OG 3.19Å; V811-S814 WeakPolarHBondContact CA-OG 3.47Å; V811-S814 PolarHBondContact O-OG 3.34Å; V811-S814 VanDerWaalsContact O-OG 3.08Å; S814-P816 WeakPolarHBondContact O-CD 3.33Å |
| 815 | Q | 40.6 | Very low | 50.2 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -78.4 | 102.7 | 166.1 | -70.2 | -151.9 | -8.2 | 0 | 0 | 108.6 | E813 T817 | E813-Q815 PolarHBondContact O-N 2.68Å; Q815-T817 PolarHBondContact O-N 3.46Å; Q815-T817 VanDerWaalsContact O-N 3.12Å |
| 816 | P | 41 | Very low | 48.8 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | trans | -74.1 | 113.6 | 173.2 | -1 | 23.3 | 0 | 0 | 0 | 105.3 | S814 A818 | S814-P816 WeakPolarHBondContact O-CD 3.33Å; P816-A818 VanDerWaalsContact C-N 3.34Å; P816-A818 PolarHBondContact O-N 3.47Å | ||
| 817 | T | 43.3 | Very low | 47.8 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -49.8 | 105.3 | 155.3 | 44.5 | 0 | 0 | 0 | 0 | 108.1 | Q815 | Q815-T817 PolarHBondContact O-N 3.46Å; Q815-T817 VanDerWaalsContact O-N 3.12Å |
| 818 | A | 36.3 | Very low | 46.9 | Very low | 84 Ų | 84 | 111.7 Ų | 111.7 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 57.2 | 122.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | P816 | P816-A818 VanDerWaalsContact C-N 3.34Å; P816-A818 PolarHBondContact O-N 3.47Å |
| 819 | V | 33.3 | Very low | 45.9 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 88% | 0.879 | 68% | 0.683 | S | S | * | * | trans | 77.6 | 90.1 | 157.1 | -160.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 820 | A | 35.5 | Very low | 44.9 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -145.8 | 120.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 821 | A | 35.8 | Very low | 44.1 | Very low | 82 Ų | 82 | 124 Ų | 124 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -60.8 | 160.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V823 | A821-V823 PolarHBondContact O-N 3.03Š| ||
| 822 | P | 36.6 | Very low | 43.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -68.7 | 124.3 | -179.7 | 25.5 | -25.8 | 0 | 0 | 0 | 110.3 | D824 | P822-D824 PolarHBondContact O-N 3.47Š| ||
| 823 | V | 39.5 | Very low | 42.6 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 48.5 | 176.4 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | A821 | A821-V823 PolarHBondContact O-N 3.03Š|
| 824 | D | 44 | Very low | 41.8 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -2.1 | 179.3 | -96.8 | -33.3 | 0 | 0 | 0 | 113.6 | P822 | P822-D824 PolarHBondContact O-N 3.47Š|
| 825 | E | 46.5 | Very low | 41.1 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -92.2 | -17.4 | 179.3 | -82.8 | -173.4 | 156.4 | 0 | 0 | 115.2 | S828 N829 | E825-S828 PolarHBondContact O-OG 3.43Å; E825-N829 PolarHBondContact O-ND2 3.07Å |
| 826 | D | 45.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -87.7 | -17.6 | -177.6 | -78.4 | -30 | 0 | 0 | 0 | 114.5 | ||
| 827 | V | 48.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -8.3 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 828 | S | 44.8 | Very low | 41 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -3.3 | 170.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | E825 | E825-S828 PolarHBondContact O-OG 3.43Š|
| 829 | N | 44.5 | Very low | 41.3 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -113.5 | 8.6 | 177.9 | -75.3 | -47 | 0 | 0 | 0 | 114.5 | E825 | E825-N829 PolarHBondContact O-ND2 3.07Š| ||
| 830 | L | 41.2 | Very low | 42.1 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 100% | 1.11 | 76% | 0.759 | S | S | * | * | trans | -119.8 | 0 | 170.5 | -92 | 156.3 | 0 | 0 | 0 | 109.5 |
Retrieved 830 of 830 residues in 3134.6 ms
(Link to these results)