| 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 | 26.9 | Very low | 36.3 | Very low | 223 Ų | 223 | 105.8 Ų | 105.8 | 100% | 1.099 | 55% | 0.554 | S | S | * | * | 0 | 113 | 0 | -176.3 | 173.7 | 165.1 | 0 | 0 | 107.2 | |||||
| 2 | I | 28.2 | Very low | 36.7 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | trans | -88.7 | 113.8 | -178.9 | -66.3 | 169.5 | 0 | 0 | 0 | 107.5 | I4 | I2-I4 HydrophobicContact CG2-CD1 3.81Å; I2-I4 HydrophobicContact CG2-CG1 3.7Å | ||
| 3 | S | 25.4 | Very low | 37.5 | Very low | 96 Ų | 96 | 105.1 Ų | 105.1 | 67% | 0.671 | 54% | 0.537 | S | S | * | . | trans | -105.2 | 102.6 | 175.6 | -68.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | I | 36.4 | Very low | 38.4 | Very low | 69 Ų | 69 | 100.1 Ų | 100.1 | 35% | 0.354 | 51% | 0.512 | S | S | . | . | trans | -103.8 | 119.1 | 173.5 | -55.7 | 160.3 | 0 | 0 | 0 | 107.7 | I2 F6 M97 | I2-I4 HydrophobicContact CG2-CD1 3.81Å; I2-I4 HydrophobicContact CG2-CG1 3.7Å; I4-F6 HydrophobicContact CB-CD2 4.15Å; I4-F6 HydrophobicContact CB-CE1 4.22Å; I4-F6 HydrophobicContact CB-CE2 3.44Å; I4-F6 VanDerWaalsContact CB-CE2 3.44Å; I4-F6 HydrophobicContact CB-CZ 3.47Å; I4-F6 VanDerWaalsContact CB-CZ 3.47Å; I4-F6 HydrophobicContact CD1-CE2 4.18Å; I4-F6 HydrophobicContact CD1-CZ 3.78Å; I4-F6 HydrophobicContact CG1-CE2 4.41Å; I4-F6 HydrophobicContact CG1-CZ 4.23Å; I4-F6 HydrophobicContact CG2-CD1 3.99Å; I4-F6 HydrophobicContact CG2-CD2 4.15Å; I4-F6 HydrophobicContact CG2-CE1 3.4Å; I4-F6 HydrophobicContact CG2-CE2 3.58Å; I4-F6 HydrophobicContact CG2-CG 4.35Å; I4-F6 HydrophobicContact CG2-CZ 3.14Å; I4-F6 VanDerWaalsContact O-CD2 3.29Å; I4-F6 WeakPolarHBondContact O-CD2 3.29Å; I4-F6 PolarHBondContact O-N 2.8Å; I4-M97 HydrophobicContact CD1-CE 3.8Å | ||
| 5 | P | 29.8 | Very low | 39.2 | Very low | 128 Ų | 128 | 94.7 Ų | 94.7 | 83% | 0.831 | 49% | 0.486 | S | S | * | . | trans | -75.1 | 107.6 | 178 | 29.4 | -30.8 | 0 | 0 | 0 | 109.3 | ||||
| 6 | F | 42.7 | Very low | 39.8 | Very low | 63 Ų | 63 | 98.8 Ų | 98.8 | 28% | 0.276 | 50% | 0.499 | S | S | . | . | trans | -103 | 121.4 | 177.7 | -65.6 | -66.9 | 0 | 0 | 0 | 111.5 | I4 S11 R12 V15 | I4-F6 HydrophobicContact CB-CD2 4.15Å; I4-F6 HydrophobicContact CB-CE1 4.22Å; I4-F6 HydrophobicContact CB-CE2 3.44Å; I4-F6 VanDerWaalsContact CB-CE2 3.44Å; I4-F6 HydrophobicContact CB-CZ 3.47Å; I4-F6 VanDerWaalsContact CB-CZ 3.47Å; I4-F6 HydrophobicContact CD1-CE2 4.18Å; I4-F6 HydrophobicContact CD1-CZ 3.78Å; I4-F6 HydrophobicContact CG1-CE2 4.41Å; I4-F6 HydrophobicContact CG1-CZ 4.23Å; I4-F6 HydrophobicContact CG2-CD1 3.99Å; I4-F6 HydrophobicContact CG2-CD2 4.15Å; I4-F6 HydrophobicContact CG2-CE1 3.4Å; I4-F6 HydrophobicContact CG2-CE2 3.58Å; I4-F6 HydrophobicContact CG2-CG 4.35Å; I4-F6 HydrophobicContact CG2-CZ 3.14Å; I4-F6 VanDerWaalsContact O-CD2 3.29Å; I4-F6 WeakPolarHBondContact O-CD2 3.29Å; I4-F6 PolarHBondContact O-N 2.8Å; F6-S11 WeakPolarHBondContact CD1-OG 3.16Å; F6-R12 HydrophobicContact CB-CG 4.17Å; F6-R12 HydrophobicContact CD2-CG 4.37Å; F6-R12 HydrophobicContact CG-CG 4.27Å; F6-V15 HydrophobicContact CE1-CG2 3.63Å; F6-V15 HydrophobicContact CE2-CG2 4.26Å; F6-V15 HydrophobicContact CZ-CB 4.14Å; F6-V15 HydrophobicContact CZ-CG1 4.4Å; F6-V15 HydrophobicContact CZ-CG2 3.25Å | ||
| 7 | R | 37.9 | Very low | 40.5 | Very low | 261 Ų | 261 | 95.6 Ų | 95.6 | 99% | 0.985 | 48% | 0.483 | S | S | * | . | trans | -94.9 | -7 | 174.6 | -105 | -176.2 | 176 | -164.2 | -0.3 | 114.3 | ||||
| 8 | S | 42.1 | Very low | 41.2 | Very low | 48 Ų | 48 | 91.1 Ų | 91.1 | 34% | 0.336 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -141.5 | 140.9 | -173.6 | 148.9 | 0 | 0 | 0 | 0 | 112.7 | M10 S11 | S8-M10 PolarHBondContact O-N 3.44Å; S8-M10 PolarHBondContact OG-N 3.27Å; S8-S11 PolarHBondContact O-N 3Å; S8-S11 VanDerWaalsContact O-N 3.15Å; S8-S11 PolarHBondContact O-OG 2.79Å |
| 9 | T | 41.3 | Very low | 41.6 | Very low | 99 Ų | 99 | 90.2 Ų | 90.2 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -55.7 | -34.3 | 176.9 | 12.3 | 0 | 0 | 0 | 0 | 112.9 | S11 R12 T13 | T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.92Å; T9-R12 PolarHBondContact O-N 3.43Å; T9-T13 PolarHBondContact O-N 3.25Å; T9-T13 PolarHBondContact O-OG1 3.04Å |
| 10 | M | 44.3 | Very low | 42.1 | Very low | 21 Ų | 21 | 89.4 Ų | 89.4 | 10% | 0.103 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 178.7 | -60.9 | -152.2 | 98.7 | 0 | 0 | 112.7 | S8 R12 T13 L14 L40 F92 | S8-M10 PolarHBondContact O-N 3.44Å; S8-M10 PolarHBondContact OG-N 3.27Å; M10-R12 VanDerWaalsContact C-N 3.26Å; M10-R12 PolarHBondContact O-N 3.05Å; M10-T13 PolarHBondContact O-N 3.12Å; M10-L14 PolarHBondContact O-N 2.86Å; M10-L14 VanDerWaalsContact O-N 3.12Å; M10-L40 HydrophobicContact CE-CB 3.66Å; M10-L40 HydrophobicContact CE-CD1 4.24Å; M10-L40 HydrophobicContact CE-CD2 4.19Å; M10-L40 HydrophobicContact CE-CG 4.26Å; M10-L40 WeakPolarHBondContact CE-O 3.19Å; M10-F92 HydrophobicContact SD-CZ 4.08Å |
| 11 | S | 44.3 | Very low | 42.4 | Very low | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.119 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.2 | -28.3 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | F6 S8 T9 V15 | F6-S11 WeakPolarHBondContact CD1-OG 3.16Å; S8-S11 PolarHBondContact O-N 3Å; S8-S11 VanDerWaalsContact O-N 3.15Å; S8-S11 PolarHBondContact O-OG 2.79Å; T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.92Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.26Å; S11-V15 PolarHBondContact O-N 3.06Å |
| 12 | R | 41 | Very low | 43.3 | Very low | 149 Ų | 149 | 76.2 Ų | 76.2 | 56% | 0.562 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.9 | -46 | 173 | -65.4 | -177.3 | 174.2 | -174.6 | -2.3 | 111.4 | F6 T9 M10 L14 V15 F16 | F6-R12 HydrophobicContact CB-CG 4.17Å; F6-R12 HydrophobicContact CD2-CG 4.37Å; F6-R12 HydrophobicContact CG-CG 4.27Å; T9-R12 PolarHBondContact O-N 3.43Å; M10-R12 VanDerWaalsContact C-N 3.26Å; M10-R12 PolarHBondContact O-N 3.05Å; R12-L14 PolarHBondContact O-N 3.12Å; R12-V15 PolarHBondContact O-N 3.07Å; R12-F16 WeakPolarHBondContact O-CD2 3.32Å; R12-F16 PolarHBondContact O-N 3.04Å; R12-F16 VanDerWaalsContact O-N 3.1Å |
| 13 | T | 47 | Very low | 44.1 | Very low | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | -179.2 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | T9 M10 V15 F16 I17 L40 | T9-T13 PolarHBondContact O-N 3.25Å; T9-T13 PolarHBondContact O-OG1 3.04Å; M10-T13 PolarHBondContact O-N 3.12Å; T13-V15 VanDerWaalsContact C-N 3.29Å; T13-V15 PolarHBondContact O-N 3.13Å; T13-F16 PolarHBondContact O-N 3.44Å; T13-I17 HydrophobicContact CG2-CD1 4.05Å; T13-I17 WeakPolarHBondContact O-CG1 3.19Å; T13-I17 PolarHBondContact O-N 3.45Å; T13-L40 HydrophobicContact CG2-CD2 3.57Å |
| 14 | L | 50.2 | Low | 45.1 | Very low | 36 Ų | 36 | 74.9 Ų | 74.9 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 174.7 | -77.5 | 168.1 | 0 | 0 | 0 | 111.5 | M10 R12 I17 I18 L40 L95 | M10-L14 PolarHBondContact O-N 2.86Å; M10-L14 VanDerWaalsContact O-N 3.12Å; R12-L14 PolarHBondContact O-N 3.12Å; L14-I17 PolarHBondContact O-N 2.9Å; L14-I18 HydrophobicContact CB-CD1 4.24Å; L14-I18 WeakPolarHBondContact O-CB 3.35Å; L14-I18 VanDerWaalsContact O-CD1 3.24Å; L14-I18 WeakPolarHBondContact O-CD1 3.35Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å; L14-L40 HydrophobicContact CD2-CD1 4.02Å; L14-L40 HydrophobicContact CG-CD1 4.25Å; L14-L95 HydrophobicContact CD1-CD1 4.42Å |
| 15 | V | 49.7 | Very low | 45.4 | Very low | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | F6 S11 R12 T13 I17 I18 L19 M97 | F6-V15 HydrophobicContact CE1-CG2 3.63Å; F6-V15 HydrophobicContact CE2-CG2 4.26Å; F6-V15 HydrophobicContact CZ-CB 4.14Å; F6-V15 HydrophobicContact CZ-CG1 4.4Å; F6-V15 HydrophobicContact CZ-CG2 3.25Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.26Å; S11-V15 PolarHBondContact O-N 3.06Å; R12-V15 PolarHBondContact O-N 3.07Å; T13-V15 VanDerWaalsContact C-N 3.29Å; T13-V15 PolarHBondContact O-N 3.13Å; V15-I17 PolarHBondContact O-N 3.26Å; V15-I18 PolarHBondContact O-N 3.14Å; V15-L19 WeakPolarHBondContact O-CB 3.41Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-M97 HydrophobicContact CB-CE 4.4Å; V15-M97 HydrophobicContact CG1-CE 4.11Å; V15-M97 HydrophobicContact CG2-CE 3.67Å |
| 16 | F | 49.8 | Very low | 46 | Very low | 159 Ų | 159 | 70.4 Ų | 70.4 | 70% | 0.697 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -25.9 | 176.2 | -82.2 | -72.8 | 0 | 0 | 0 | 114 | R12 T13 P20 | R12-F16 WeakPolarHBondContact O-CD2 3.32Å; R12-F16 PolarHBondContact O-N 3.04Å; R12-F16 VanDerWaalsContact O-N 3.1Å; T13-F16 PolarHBondContact O-N 3.44Å; F16-P20 WeakPolarHBondContact O-CD 3.26Å; F16-P20 VanDerWaalsContact O-CG 3.29Å; F16-P20 WeakPolarHBondContact O-CG 3.31Å |
| 17 | I | 51.7 | Low | 46 | Very low | 46 Ų | 46 | 72.1 Ų | 72.1 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -88.1 | -40.4 | 179.6 | -65.6 | 169 | 0 | 0 | 0 | 110.8 | T13 L14 V15 P20 T21 F38 | T13-I17 HydrophobicContact CG2-CD1 4.05Å; T13-I17 WeakPolarHBondContact O-CG1 3.19Å; T13-I17 PolarHBondContact O-N 3.45Å; L14-I17 PolarHBondContact O-N 2.9Å; V15-I17 PolarHBondContact O-N 3.26Å; I17-P20 WeakPolarHBondContact O-CD 2.94Å; I17-T21 PolarHBondContact O-OG1 3.1Å; I17-F38 HydrophobicContact CD1-CB 4.39Å; I17-F38 HydrophobicContact CD1-CD1 4.42Å; I17-F38 HydrophobicContact CD1-CD2 4.42Å; I17-F38 HydrophobicContact CD1-CG 4.18Å; I17-F38 HydrophobicContact CG2-CD1 4.48Å; I17-F38 HydrophobicContact CG2-CD2 3.82Å; I17-F38 HydrophobicContact CG2-CE1 4.04Å; I17-F38 HydrophobicContact CG2-CE2 3.23Å; I17-F38 HydrophobicContact CG2-CG 4.38Å; I17-F38 HydrophobicContact CG2-CZ 3.38Å |
| 18 | I | 52.3 | Low | 46.1 | Very low | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.3 | -38.8 | -179.3 | -66.7 | 161.3 | 0 | 0 | 0 | 111 | L14 V15 T21 V22 I71 F73 M97 | L14-I18 HydrophobicContact CB-CD1 4.24Å; L14-I18 WeakPolarHBondContact O-CB 3.35Å; L14-I18 VanDerWaalsContact O-CD1 3.24Å; L14-I18 WeakPolarHBondContact O-CD1 3.35Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å; V15-I18 PolarHBondContact O-N 3.14Å; I18-T21 PolarHBondContact O-N 3Å; I18-T21 VanDerWaalsContact O-N 3.09Å; I18-V22 HydrophobicContact CG2-CG2 3.82Å; I18-V22 WeakPolarHBondContact O-CG2 3.16Å; I18-V22 PolarHBondContact O-N 2.81Å; I18-I71 HydrophobicContact CG2-CD1 3.29Å; I18-F73 HydrophobicContact CD1-CE1 4.09Å; I18-F73 HydrophobicContact CD1-CE2 3.54Å; I18-F73 HydrophobicContact CD1-CZ 3.18Å; I18-F73 HydrophobicContact CG1-CE1 4.38Å; I18-F73 HydrophobicContact CG1-CE2 4.48Å; I18-F73 HydrophobicContact CG1-CZ 3.68Å; I18-M97 HydrophobicContact CG2-SD 3.94Å |
| 19 | L | 50.1 | Low | 45.9 | Very low | 73 Ų | 73 | 64 Ų | 64 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | -173 | -158.2 | 79.6 | 0 | 0 | 0 | 112.6 | V15 T21 V22 L23 | V15-L19 WeakPolarHBondContact O-CB 3.41Å; V15-L19 PolarHBondContact O-N 3.3Å; L19-T21 VanDerWaalsContact C-N 3.32Å; L19-T21 PolarHBondContact O-N 3.22Å; L19-V22 PolarHBondContact O-N 3.4Å; L19-L23 HydrophobicContact CG-CD1 4.25Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.03Å |
| 20 | P | 50.6 | Low | 45.5 | Very low | 74 Ų | 74 | 69.5 Ų | 69.5 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 173 | -22.3 | 32.9 | 0 | 0 | 0 | 113 | F16 I17 L23 S24 | F16-P20 WeakPolarHBondContact O-CD 3.26Å; F16-P20 VanDerWaalsContact O-CG 3.29Å; F16-P20 WeakPolarHBondContact O-CG 3.31Å; I17-P20 WeakPolarHBondContact O-CD 2.94Å; P20-L23 PolarHBondContact O-N 3.3Å; P20-S24 PolarHBondContact O-N 3Å; P20-S24 PolarHBondContact O-OG 3.17Å |
| 21 | T | 48 | Very low | 45.1 | Very low | 30 Ų | 30 | 75.1 Ų | 75.1 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | -178.2 | -33.5 | 0 | 0 | 0 | 0 | 111.7 | I17 I18 L19 S24 C25 F34 | I17-T21 PolarHBondContact O-OG1 3.1Å; I18-T21 PolarHBondContact O-N 3Å; I18-T21 VanDerWaalsContact O-N 3.09Å; L19-T21 VanDerWaalsContact C-N 3.32Å; L19-T21 PolarHBondContact O-N 3.22Å; T21-S24 WeakPolarHBondContact CA-OG 3.18Å; T21-S24 PolarHBondContact O-N 3.34Å; T21-S24 PolarHBondContact O-OG 3.23Å; T21-C25 PolarHBondContact O-N 2.9Å; T21-F34 HydrophobicContact CG2-CD1 4.28Å; T21-F34 HydrophobicContact CG2-CD2 3.81Å; T21-F34 HydrophobicContact CG2-CE1 3.92Å; T21-F34 HydrophobicContact CG2-CE2 3.37Å; T21-F34 HydrophobicContact CG2-CG 4.23Å; T21-F34 HydrophobicContact CG2-CZ 3.45Å; T21-F34 VanDerWaalsContact CG2-CZ 3.45Å |
| 22 | V | 46.6 | Very low | 44.6 | Very low | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I18 L19 S24 C25 L69 I71 I99 Y101 | I18-V22 HydrophobicContact CG2-CG2 3.82Å; I18-V22 WeakPolarHBondContact O-CG2 3.16Å; I18-V22 PolarHBondContact O-N 2.81Å; L19-V22 PolarHBondContact O-N 3.4Å; V22-S24 PolarHBondContact O-N 3.32Å; V22-C25 WeakPolarHBondContact O-CB 3.17Å; V22-C25 PolarHBondContact O-N 2.93Å; V22-L69 HydrophobicContact CB-CD2 4.39Å; V22-L69 HydrophobicContact CG1-CD1 3.85Å; V22-L69 HydrophobicContact CG1-CD2 3.79Å; V22-L69 HydrophobicContact CG1-CG 4.48Å; V22-L69 HydrophobicContact CG2-CD1 4.28Å; V22-L69 HydrophobicContact CG2-CD2 3.65Å; V22-I71 HydrophobicContact CG2-CD1 3.7Å; V22-I99 HydrophobicContact CB-CD1 4.21Å; V22-I99 HydrophobicContact CG1-CD1 3.67Å; V22-I99 HydrophobicContact CG2-CD1 4.04Å; V22-Y101 PolarHBondContact O-OH 3.01Å |
| 23 | L | 45.6 | Very low | 44.4 | Very low | 133 Ų | 133 | 76.5 Ų | 76.5 | 70% | 0.696 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.1 | -25.4 | 176.5 | -68.6 | 169.4 | 0 | 0 | 0 | 112.5 | L19 P20 | L19-L23 HydrophobicContact CG-CD1 4.25Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.03Å; P20-L23 PolarHBondContact O-N 3.3Å |
| 24 | S | 46.5 | Very low | 44 | Very low | 75 Ų | 75 | 77.4 Ų | 77.4 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.3 | 171.3 | 65.6 | 0 | 0 | 0 | 0 | 114.5 | P20 T21 V22 N26 | P20-S24 PolarHBondContact O-N 3Å; P20-S24 PolarHBondContact O-OG 3.17Å; T21-S24 WeakPolarHBondContact CA-OG 3.18Å; T21-S24 PolarHBondContact O-N 3.34Å; T21-S24 PolarHBondContact O-OG 3.23Å; V22-S24 PolarHBondContact O-N 3.32Å; S24-N26 PolarHBondContact O-N 3.05Å |
| 25 | C | 41.4 | Very low | 43.4 | Very low | 15 Ų | 15 | 81 Ų | 81 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | trans | -70.9 | 106.5 | -177.4 | -162.7 | 0 | 0 | 0 | 0 | 109.5 | T21 V22 | T21-C25 PolarHBondContact O-N 2.9Å; V22-C25 WeakPolarHBondContact O-CB 3.17Å; V22-C25 PolarHBondContact O-N 2.93Å | ||
| 26 | N | 42.9 | Very low | 42.7 | Very low | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | trans | -74.3 | 123.3 | 171.1 | -173.9 | -24.5 | 0 | 0 | 0 | 108.2 | S24 S28 S29 | S24-N26 PolarHBondContact O-N 3.05Å; N26-S28 PolarHBondContact O-N 2.94Å; N26-S28 VanDerWaalsContact OD1-CB 3.29Å; N26-S28 WeakPolarHBondContact OD1-CB 3.01Å; N26-S28 PolarHBondContact OD1-N 3.38Å; N26-S28 PolarHBondContact OD1-OG 3.22Å; N26-S29 PolarHBondContact O-N 3.42Å; N26-S29 PolarHBondContact O-OG 3.15Å | ||
| 27 | P | 42.9 | Very low | 42 | Very low | 98 Ų | 98 | 79.1 Ų | 79.1 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.6 | -179.8 | 21.8 | -32.5 | 0 | 0 | 0 | 113.9 | C66 | P27-C66 HydrophobicContact CB-CB 4.33Š|
| 28 | S | 39.2 | Very low | 41.3 | Very low | 101 Ų | 101 | 80.3 Ų | 80.3 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -22.2 | 176.3 | -43.9 | 0 | 0 | 0 | 0 | 113.7 | N26 R30 | N26-S28 PolarHBondContact O-N 2.94Å; N26-S28 VanDerWaalsContact OD1-CB 3.29Å; N26-S28 WeakPolarHBondContact OD1-CB 3.01Å; N26-S28 PolarHBondContact OD1-N 3.38Å; N26-S28 PolarHBondContact OD1-OG 3.22Å; S28-R30 PolarHBondContact O-N 3.42Å |
| 29 | S | 37.7 | Very low | 40.3 | Very low | 39 Ų | 39 | 84.1 Ų | 84.1 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | trans | -95.2 | 92.8 | 179.7 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | N26 L31 M32 | N26-S29 PolarHBondContact O-N 3.42Å; N26-S29 PolarHBondContact O-OG 3.15Å; S29-L31 PolarHBondContact O-N 2.96Å; S29-M32 WeakPolarHBondContact OG-CE 3.31Å | ||
| 30 | R | 34.7 | Very low | 39.6 | Very low | 214 Ų | 214 | 81.7 Ų | 81.7 | 81% | 0.808 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -62.3 | -11 | -174.8 | -74.2 | -176.6 | 172.2 | -176.2 | -3.1 | 115.6 | S28 | S28-R30 PolarHBondContact O-N 3.42Š|
| 31 | L | 35 | Very low | 38.7 | Very low | 138 Ų | 138 | 80.7 Ų | 80.7 | 72% | 0.723 | 45% | 0.449 | S | S | * | . | trans | -149.4 | 112 | 178.1 | -69.6 | 168.8 | 0 | 0 | 0 | 108.6 | S29 | S29-L31 PolarHBondContact O-N 2.96Š| ||
| 32 | M | 33.9 | Very low | 38 | Very low | 42 Ų | 42 | 81.7 Ų | 81.7 | 21% | 0.207 | 46% | 0.457 | C | S | . | . | trans | -105.3 | 112.7 | 162 | -75.9 | -165.8 | -164 | 0 | 0 | 108.6 | S29 F34 | S29-M32 WeakPolarHBondContact OG-CE 3.31Å; M32-F34 HydrophobicContact CB-CD2 3.91Å; M32-F34 HydrophobicContact CB-CE2 3.62Å; M32-F34 HydrophobicContact CG-CE2 4.06Å; M32-F34 HydrophobicContact SD-CD2 4.46Å; M32-F34 HydrophobicContact SD-CE2 3.32Å; M32-F34 WeakPolarHBondContact SD-CE2 3.44Å; M32-F34 HydrophobicContact SD-CZ 3.58Å; M32-F34 VanDerWaalsContact SD-CZ 3.58Å | ||
| 33 | N | 37.5 | Very low | 37.1 | Very low | 154 Ų | 154 | 91.8 Ų | 91.8 | 82% | 0.824 | 50% | 0.496 | S | S | * | . | trans | -84.1 | 110.6 | 164.7 | -79.9 | -29.6 | 0 | 0 | 0 | 107.6 | ||||
| 34 | F | 37.3 | Very low | 36.3 | Very low | 72 Ų | 72 | 90.4 Ų | 90.4 | 32% | 0.316 | 50% | 0.498 | S | S | . | . | trans | -102.2 | 119 | 168 | -78.3 | -78.5 | 0 | 0 | 0 | 109.9 | T21 M32 | T21-F34 HydrophobicContact CG2-CD1 4.28Å; T21-F34 HydrophobicContact CG2-CD2 3.81Å; T21-F34 HydrophobicContact CG2-CE1 3.92Å; T21-F34 HydrophobicContact CG2-CE2 3.37Å; T21-F34 HydrophobicContact CG2-CG 4.23Å; T21-F34 HydrophobicContact CG2-CZ 3.45Å; T21-F34 VanDerWaalsContact CG2-CZ 3.45Å; M32-F34 HydrophobicContact CB-CD2 3.91Å; M32-F34 HydrophobicContact CB-CE2 3.62Å; M32-F34 HydrophobicContact CG-CE2 4.06Å; M32-F34 HydrophobicContact SD-CD2 4.46Å; M32-F34 HydrophobicContact SD-CE2 3.32Å; M32-F34 WeakPolarHBondContact SD-CE2 3.44Å; M32-F34 HydrophobicContact SD-CZ 3.58Å; M32-F34 VanDerWaalsContact SD-CZ 3.58Å | ||
| 35 | S | 38.1 | Very low | 35.6 | Very low | 110 Ų | 110 | 91.3 Ų | 91.3 | 77% | 0.769 | 50% | 0.5 | S | S | * | . | trans | -102.3 | 81.3 | 159.3 | 60.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 36 | N | 35.5 | Very low | 35.1 | Very low | 68 Ų | 68 | 93.3 Ų | 93.3 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | trans | -101 | 111.2 | 171.4 | -76.6 | -32.5 | 0 | 0 | 0 | 109.4 | F38 I57 | N36-F38 HydrophobicContact CB-CD2 3.76Å; N36-F38 HydrophobicContact CB-CE1 4.23Å; N36-F38 HydrophobicContact CB-CE2 3.06Å; N36-F38 HydrophobicContact CB-CZ 3.34Å; N36-I57 WeakPolarHBondContact O-CG2 3.16Å | ||
| 37 | S | 35.2 | Very low | 34.8 | Very low | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | trans | -75 | 117 | 165.3 | 55 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 38 | F | 36.5 | Very low | 34.5 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 32% | 0.316 | 52% | 0.518 | S | S | . | . | trans | -119.5 | 148.6 | 173.8 | -62.5 | -71.3 | 0 | 0 | 0 | 110.8 | I17 N36 L40 I57 | I17-F38 HydrophobicContact CD1-CB 4.39Å; I17-F38 HydrophobicContact CD1-CD1 4.42Å; I17-F38 HydrophobicContact CD1-CD2 4.42Å; I17-F38 HydrophobicContact CD1-CG 4.18Å; I17-F38 HydrophobicContact CG2-CD1 4.48Å; I17-F38 HydrophobicContact CG2-CD2 3.82Å; I17-F38 HydrophobicContact CG2-CE1 4.04Å; I17-F38 HydrophobicContact CG2-CE2 3.23Å; I17-F38 HydrophobicContact CG2-CG 4.38Å; I17-F38 HydrophobicContact CG2-CZ 3.38Å; N36-F38 HydrophobicContact CB-CD2 3.76Å; N36-F38 HydrophobicContact CB-CE1 4.23Å; N36-F38 HydrophobicContact CB-CE2 3.06Å; N36-F38 HydrophobicContact CB-CZ 3.34Å; F38-L40 PolarHBondContact O-N 2.91Å; F38-I57 HydrophobicContact CB-CD1 4.09Å; F38-I57 HydrophobicContact CD2-CG2 4.37Å; F38-I57 WeakPolarHBondContact O-CD1 3.21Å | ||
| 39 | N | 31.3 | Very low | 34.3 | Very low | 94 Ų | 94 | 94 Ų | 94 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | trans | -96.5 | 89.2 | -176.9 | -149.6 | -5.9 | 0 | 0 | 0 | 108.6 | C41 F54 | N39-C41 PolarHBondContact O-N 3.09Å; N39-F54 HydrophobicContact CB-CE1 3.98Å; N39-F54 HydrophobicContact CB-CE2 4.19Å; N39-F54 HydrophobicContact CB-CZ 3.69Å; N39-F54 WeakPolarHBondContact ND2-CE2 3.48Å; N39-F54 WeakPolarHBondContact ND2-CZ 3.28Å; N39-F54 WeakPolarHBondContact OD1-CD2 3.39Å; N39-F54 WeakPolarHBondContact OD1-CE2 3.16Å; N39-F54 WeakPolarHBondContact OD1-CZ 2.94Å | ||
| 40 | L | 35.9 | Very low | 34.4 | Very low | 21 Ų | 21 | 95.6 Ų | 95.6 | 11% | 0.11 | 52% | 0.516 | C | S | . | . | trans | -80.9 | 48.5 | -179.8 | -90.2 | 177.2 | 0 | 0 | 0 | 112.4 | M10 T13 L14 F38 S42 I57 | M10-L40 HydrophobicContact CE-CB 3.66Å; M10-L40 HydrophobicContact CE-CD1 4.24Å; M10-L40 HydrophobicContact CE-CD2 4.19Å; M10-L40 HydrophobicContact CE-CG 4.26Å; M10-L40 WeakPolarHBondContact CE-O 3.19Å; T13-L40 HydrophobicContact CG2-CD2 3.57Å; L14-L40 HydrophobicContact CD2-CD1 4.02Å; L14-L40 HydrophobicContact CG-CD1 4.25Å; F38-L40 PolarHBondContact O-N 2.91Å; L40-S42 VanDerWaalsContact C-N 3.27Å; L40-S42 PolarHBondContact O-N 3.23Å; L40-I57 HydrophobicContact CB-CD1 3.93Å; L40-I57 HydrophobicContact CD1-CD1 3.44Å; L40-I57 VanDerWaalsContact CD1-CD1 3.44Å; L40-I57 HydrophobicContact CD1-CG1 4.3Å; L40-I57 HydrophobicContact CG-CD1 3.63Å | ||
| 41 | C | 31.5 | Very low | 34.4 | Very low | 53 Ų | 53 | 89.1 Ų | 89.1 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | trans | -83.8 | 75 | 168.1 | -75.5 | 0 | 0 | 0 | 0 | 109.5 | N39 Y43 | N39-C41 PolarHBondContact O-N 3.09Å; C41-Y43 PolarHBondContact O-N 2.9Å | ||
| 42 | S | 32.2 | Very low | 34.4 | Very low | 51 Ų | 51 | 83.3 Ų | 83.3 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | trans | -76.5 | 87.5 | 158.7 | 44.3 | 0 | 0 | 0 | 0 | 108.2 | L40 S44 | L40-S42 VanDerWaalsContact C-N 3.27Å; L40-S42 PolarHBondContact O-N 3.23Å; S42-S44 PolarHBondContact O-N 3.36Å | ||
| 43 | Y | 28.3 | Very low | 34.6 | Very low | 218 Ų | 218 | 82.3 Ų | 82.3 | 86% | 0.855 | 47% | 0.469 | S | S | * | . | trans | -27.8 | 115.7 | 158.7 | -101.5 | -105 | 0 | 0 | 0 | 111.3 | C41 | C41-Y43 PolarHBondContact O-N 2.9Š| ||
| 44 | S | 28.9 | Very low | 34.5 | Very low | 105 Ų | 105 | 78.9 Ų | 78.9 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 170.3 | -12.6 | 134.9 | 46.8 | 0 | 0 | 0 | 0 | 115.7 | S42 | S42-S44 PolarHBondContact O-N 3.36Š|
| 45 | T | 30.9 | Very low | 34.3 | Very low | 93 Ų | 93 | 80.2 Ų | 80.2 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -139.8 | 2.3 | -169.1 | 45.1 | 0 | 0 | 0 | 0 | 119.8 | ||
| 46 | C | 30.8 | Very low | 34.3 | Very low | 57 Ų | 57 | 76 Ų | 76 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | trans | -146 | 132.8 | 170.4 | -91.2 | 0 | 0 | 0 | 0 | 111.3 | C48 | C46-C48 HydrophobicContact CB-CB 4.36Å; C46-C48 VanDerWaalsContact CB-SG 3.56Å; C46-C48 PolarHBondContact O-N 2.65Å | ||
| 47 | N | 36.6 | Very low | 34.7 | Very low | 182 Ų | 182 | 74.1 Ų | 74.1 | 97% | 0.973 | 41% | 0.412 | S | S | * | . | trans | -68.1 | 39.2 | 161.9 | -73.3 | -12.6 | 0 | 0 | 0 | 111.2 | ||||
| 48 | C | 37 | Very low | 34.9 | Very low | 34 Ų | 34 | 75.9 Ų | 75.9 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | trans | -82.5 | 129.5 | 171.4 | -48.2 | 0 | 0 | 0 | 0 | 105.8 | C46 C84 | C46-C48 HydrophobicContact CB-CB 4.36Å; C46-C48 VanDerWaalsContact CB-SG 3.56Å; C46-C48 PolarHBondContact O-N 2.65Å; C48-C84 WeakPolarHBondContact CB-SG 3.29Å; C48-C84 WeakPolarHBondContact SG-CB 3.29Å; C48-C84 CovalentContact SG-SG 2.14Å; C48-C84 PolarHBondContact SG-SG 2.61Å | ||
| 49 | D | 35.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 75.8 Ų | 75.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -55.7 | 135.5 | -172.8 | -166.6 | -52.8 | 0 | 0 | 0 | 111.5 | S51 F52 | D49-S51 PolarHBondContact O-N 3.04Å; D49-S51 VanDerWaalsContact OD1-CB 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.24Å; D49-S51 PolarHBondContact OD1-N 3.49Å; D49-S51 PolarHBondContact OD1-OG 2.89Å; D49-F52 WeakPolarHBondContact O-CB 3.12Å; D49-F52 PolarHBondContact O-N 3.19Å | ||
| 50 | P | 38.7 | Very low | 35.5 | Very low | 74 Ų | 74 | 72.3 Ų | 72.3 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -53.4 | -23.7 | 177.8 | 19.1 | -31.5 | 0 | 0 | 0 | 113.8 | F52 C53 F54 | P50-F52 VanDerWaalsContact C-N 3.29Å; P50-F52 PolarHBondContact O-N 2.86Å; P50-C53 PolarHBondContact O-N 3.43Å; P50-F54 WeakPolarHBondContact O-CD2 3.4Å |
| 51 | S | 35.2 | Very low | 35.7 | Very low | 78 Ų | 78 | 82.2 Ų | 82.2 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 173.7 | -46.9 | 0 | 0 | 0 | 0 | 112.8 | D49 C53 F54 | D49-S51 PolarHBondContact O-N 3.04Å; D49-S51 VanDerWaalsContact OD1-CB 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.24Å; D49-S51 PolarHBondContact OD1-N 3.49Å; D49-S51 PolarHBondContact OD1-OG 2.89Å; S51-C53 VanDerWaalsContact C-N 3.32Å; S51-C53 PolarHBondContact O-N 2.88Å; S51-F54 PolarHBondContact O-N 3.28Å |
| 52 | F | 35.7 | Very low | 36.3 | Very low | 15 Ų | 15 | 80.6 Ų | 80.6 | 7% | 0.066 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.5 | -31.4 | -177.9 | -173.2 | -104.3 | 0 | 0 | 0 | 112.5 | D49 P50 F54 M56 F77 H81 Y85 | D49-F52 WeakPolarHBondContact O-CB 3.12Å; D49-F52 PolarHBondContact O-N 3.19Å; P50-F52 VanDerWaalsContact C-N 3.29Å; P50-F52 PolarHBondContact O-N 2.86Å; F52-F54 VanDerWaalsContact C-N 3.33Å; F52-F54 PolarHBondContact O-N 3.19Å; F52-M56 HydrophobicContact CD1-CE 4.32Å; F52-M56 HydrophobicContact CE1-CE 4.02Å; F52-F77 HydrophobicContact CE1-CD1 4.23Å; F52-F77 HydrophobicContact CE1-CE1 4.07Å; F52-F77 HydrophobicContact CE2-CD1 4.36Å; F52-F77 AromaticContact CZ-CD1 3.59Å; F52-F77 HydrophobicContact CZ-CD1 3.59Å; F52-F77 AromaticContact CZ-CE1 3.85Å; F52-F77 HydrophobicContact CZ-CE1 3.85Å; F52-H81 HydrophobicContact CD2-CB 3.79Å; F52-H81 AromaticContact CD2-CD2 3.73Å; F52-H81 AromaticContact CD2-CG 3.52Å; F52-H81 AromaticContact CD2-ND1 3.89Å; F52-H81 HydrophobicContact CE2-CB 3.38Å; F52-H81 AromaticContact CE2-CG 3.67Å; F52-H81 HydrophobicContact CZ-CB 3.89Å; F52-Y85 HydrophobicContact CZ-CE2 4.08Å; F52-Y85 AromaticContact CZ-CZ 3.91Å; F52-Y85 WeakPolarHBondContact CZ-OH 3.48Å |
| 53 | C | 38.4 | Very low | 36.7 | Very low | 21 Ų | 21 | 82.2 Ų | 82.2 | 14% | 0.142 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.9 | -28.9 | 178.7 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | P50 S51 | P50-C53 PolarHBondContact O-N 3.43Å; S51-C53 VanDerWaalsContact C-N 3.32Å; S51-C53 PolarHBondContact O-N 2.88Å |
| 54 | F | 33.5 | Very low | 37.4 | Very low | 83 Ų | 83 | 72.4 Ų | 72.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.9 | -35.9 | 178.3 | -88.6 | -75.6 | 0 | 0 | 0 | 112.9 | N39 P50 S51 F52 | N39-F54 HydrophobicContact CB-CE1 3.98Å; N39-F54 HydrophobicContact CB-CE2 4.19Å; N39-F54 HydrophobicContact CB-CZ 3.69Å; N39-F54 WeakPolarHBondContact ND2-CE2 3.48Å; N39-F54 WeakPolarHBondContact ND2-CZ 3.28Å; N39-F54 WeakPolarHBondContact OD1-CD2 3.39Å; N39-F54 WeakPolarHBondContact OD1-CE2 3.16Å; N39-F54 WeakPolarHBondContact OD1-CZ 2.94Å; P50-F54 WeakPolarHBondContact O-CD2 3.4Å; S51-F54 PolarHBondContact O-N 3.28Å; F52-F54 VanDerWaalsContact C-N 3.33Å; F52-F54 PolarHBondContact O-N 3.19Å |
| 55 | E | 35.2 | Very low | 37.7 | Very low | 100 Ų | 100 | 70.1 Ų | 70.1 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.7 | -39.1 | -171.8 | -163 | 166.1 | -158.5 | 0 | 0 | 112.7 | I57 N58 | E55-I57 PolarHBondContact O-N 3.24Å; E55-I57 VanDerWaalsContact O-N 3.1Å; E55-N58 PolarHBondContact O-N 3.38Å |
| 56 | M | 36.8 | Very low | 38 | Very low | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.5 | -31.8 | 176.9 | -86.5 | -149.5 | -84.4 | 0 | 0 | 114.4 | F52 V75 F77 | F52-M56 HydrophobicContact CD1-CE 4.32Å; F52-M56 HydrophobicContact CE1-CE 4.02Å; M56-V75 HydrophobicContact CB-CG1 3.79Å; M56-V75 HydrophobicContact CG-CG1 3.53Å; M56-V75 HydrophobicContact SD-CG1 3.07Å; M56-V75 WeakPolarHBondContact SD-CG1 3.41Å; M56-F77 HydrophobicContact CE-CE1 3.9Å; M56-F77 HydrophobicContact CE-CZ 4.4Å; M56-F77 HydrophobicContact CG-CD1 3.76Å; M56-F77 HydrophobicContact CG-CE1 3.79Å; M56-F77 HydrophobicContact CG-CZ 4.47Å; M56-F77 HydrophobicContact SD-CD1 3.56Å; M56-F77 VanDerWaalsContact SD-CD1 3.56Å; M56-F77 HydrophobicContact SD-CE1 2.94Å; M56-F77 WeakPolarHBondContact SD-CE1 3.19Å; M56-F77 HydrophobicContact SD-CE2 4.17Å; M56-F77 HydrophobicContact SD-CG 4.44Å; M56-F77 HydrophobicContact SD-CZ 3.28Å; M56-F77 WeakPolarHBondContact SD-CZ 3.29Å |
| 57 | I | 44.3 | Very low | 38.5 | Very low | 27 Ų | 27 | 71.5 Ų | 71.5 | 14% | 0.138 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -90.6 | -29.7 | -171.8 | -56.4 | -174.3 | 0 | 0 | 0 | 111.6 | N36 F38 L40 E55 L59 A60 | N36-I57 WeakPolarHBondContact O-CG2 3.16Å; F38-I57 HydrophobicContact CB-CD1 4.09Å; F38-I57 HydrophobicContact CD2-CG2 4.37Å; F38-I57 WeakPolarHBondContact O-CD1 3.21Å; L40-I57 HydrophobicContact CB-CD1 3.93Å; L40-I57 HydrophobicContact CD1-CD1 3.44Å; L40-I57 VanDerWaalsContact CD1-CD1 3.44Å; L40-I57 HydrophobicContact CD1-CG1 4.3Å; L40-I57 HydrophobicContact CG-CD1 3.63Å; E55-I57 PolarHBondContact O-N 3.24Å; E55-I57 VanDerWaalsContact O-N 3.1Å; I57-L59 PolarHBondContact O-N 2.59Å; I57-A60 PolarHBondContact O-N 3.45Å; I57-A60 VanDerWaalsContact O-N 3.14Å |
| 58 | N | 38.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 67.7 Ų | 67.7 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60 | -16 | 175.1 | -91 | -15.7 | 0 | 0 | 0 | 113.1 | E55 | E55-N58 PolarHBondContact O-N 3.38Å |
| 59 | L | 37.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 66.2 Ų | 66.2 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -0.3 | -177.8 | -76 | 148.6 | 0 | 0 | 0 | 114.7 | I57 R61 S74 L76 | I57-L59 PolarHBondContact O-N 2.59Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.42Å; L59-S74 CarbonylContact C-O 3.16Å; L59-L76 HydrophobicContact CB-CB 3.79Å; L59-L76 HydrophobicContact CB-CD1 4.12Å; L59-L76 HydrophobicContact CB-CG 4.47Å; L59-L76 HydrophobicContact CD1-CB 3.24Å; L59-L76 HydrophobicContact CD1-CD1 4.17Å; L59-L76 HydrophobicContact CD1-CG 4.31Å; L59-L76 HydrophobicContact CD2-CB 4.23Å; L59-L76 HydrophobicContact CD2-CD1 3.53Å; L59-L76 HydrophobicContact CG-CB 3.85Å; L59-L76 HydrophobicContact CG-CD1 4.08Å |
| 60 | A | 43.6 | Very low | 38.8 | Very low | 20 Ų | 20 | 65 Ų | 65 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | trans | -72.6 | 79.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I57 T62 F73 | I57-A60 PolarHBondContact O-N 3.45Å; I57-A60 VanDerWaalsContact O-N 3.14Å; A60-T62 PolarHBondContact O-N 3.15Å; A60-T62 VanDerWaalsContact O-N 3.12Å; A60-F73 HydrophobicContact CB-CD1 3.73Å; A60-F73 HydrophobicContact CB-CE1 4.47Å | ||
| 61 | R | 39.9 | Very low | 39 | Very low | 230 Ų | 230 | 61.7 Ų | 61.7 | 87% | 0.868 | 33% | 0.333 | S | S | * | . | trans | -68.2 | 102.6 | 161.4 | -81.7 | -176.5 | 164.8 | -173.7 | -3.4 | 109.2 | L59 | L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.42Å | ||
| 62 | T | 44.9 | Very low | 39.3 | Very low | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | trans | -92.1 | 116 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 110 | A60 I71 F73 | A60-T62 PolarHBondContact O-N 3.15Å; A60-T62 VanDerWaalsContact O-N 3.12Å; T62-I71 HydrophobicContact CG2-CG2 3.64Å; T62-F73 HydrophobicContact CG2-CD1 4Å; T62-F73 HydrophobicContact CG2-CE1 3.55Å; T62-F73 HydrophobicContact CG2-CZ 4.13Å | ||
| 63 | S | 39.8 | Very low | 39.9 | Very low | 86 Ų | 86 | 61.2 Ų | 61.2 | 60% | 0.601 | 33% | 0.327 | S | S | * | . | trans | -98.7 | 111.3 | 166.8 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 64 | I | 43.1 | Very low | 39.9 | Very low | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | trans | -99.7 | 114 | -179.7 | -60 | 172 | 0 | 0 | 0 | 108.7 | L69 | I64-L69 HydrophobicContact CG2-CD1 3.45Å; I64-L69 VanDerWaalsContact CG2-CD1 3.45Å; I64-L69 HydrophobicContact CG2-CG 4.02Å | ||
| 65 | A | 36.3 | Very low | 40.5 | Very low | 57 Ų | 57 | 62.3 Ų | 62.3 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | trans | -93 | 122 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | D67 N68 L69 | A65-D67 PolarHBondContact O-N 2.14Å; A65-N68 CarbonylContact O-C 3.35Å; A65-N68 PolarHBondContact O-N 3.12Å; A65-N68 VanDerWaalsContact O-O 3.07Å; A65-L69 PolarHBondContact O-N 3.31Å | ||
| 66 | C | 37.2 | Very low | 40.7 | Very low | 27 Ų | 27 | 62.2 Ų | 62.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.7 | -171.8 | -71.1 | 0 | 0 | 0 | 0 | 114.2 | P27 | P27-C66 HydrophobicContact CB-CB 4.33Š|
| 67 | D | 40.4 | Very low | 41.1 | Very low | 151 Ų | 151 | 63.9 Ų | 63.9 | 81% | 0.807 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -16.9 | -179.7 | -55.7 | -32 | 0 | 0 | 0 | 112.7 | A65 | A65-D67 PolarHBondContact O-N 2.14Š|
| 68 | N | 38.2 | Very low | 40.9 | Very low | 103 Ų | 103 | 66.4 Ų | 66.4 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -157.2 | 94.8 | 177 | -85 | -46.7 | 0 | 0 | 0 | 107.9 | A65 T70 | A65-N68 CarbonylContact O-C 3.35Å; A65-N68 PolarHBondContact O-N 3.12Å; A65-N68 VanDerWaalsContact O-O 3.07Å; N68-T70 VanDerWaalsContact C-N 3.3Å; N68-T70 PolarHBondContact O-N 3.46Å |
| 69 | L | 38.1 | Very low | 41.2 | Very low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 90.4 | -175.3 | -165.8 | 129.2 | 0 | 0 | 0 | 109.5 | V22 I64 A65 I71 I99 | V22-L69 HydrophobicContact CB-CD2 4.39Å; V22-L69 HydrophobicContact CG1-CD1 3.85Å; V22-L69 HydrophobicContact CG1-CD2 3.79Å; V22-L69 HydrophobicContact CG1-CG 4.48Å; V22-L69 HydrophobicContact CG2-CD1 4.28Å; V22-L69 HydrophobicContact CG2-CD2 3.65Å; I64-L69 HydrophobicContact CG2-CD1 3.45Å; I64-L69 VanDerWaalsContact CG2-CD1 3.45Å; I64-L69 HydrophobicContact CG2-CG 4.02Å; A65-L69 PolarHBondContact O-N 3.31Å; L69-I71 HydrophobicContact CD2-CD1 3.58Å; L69-I71 HydrophobicContact CD2-CG1 3.58Å; L69-I71 HydrophobicContact CG-CG1 4.24Å; L69-I99 HydrophobicContact CB-CB 4.27Å; L69-I99 HydrophobicContact CD2-CB 3.85Å; L69-I99 HydrophobicContact CD2-CD1 3.71Å; L69-I99 HydrophobicContact CD2-CG1 3.97Å; L69-I99 PolarHBondContact O-N 3.24Å; L69-I99 VanDerWaalsContact O-N 3.12Å |
| 70 | T | 40.2 | Very low | 41.5 | Very low | 59 Ų | 59 | 67.5 Ų | 67.5 | 36% | 0.362 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 107.8 | 173 | -54.7 | 0 | 0 | 0 | 0 | 107.5 | N68 T96 | N68-T70 VanDerWaalsContact C-N 3.3Å; N68-T70 PolarHBondContact O-N 3.46Å; T70-T96 HydrophobicContact CG2-CG2 4.18Å |
| 71 | I | 42.9 | Very low | 41.6 | Very low | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.3 | 176.3 | -44.7 | 165.9 | 0 | 0 | 0 | 108.6 | I18 V22 T62 L69 F73 M97 | I18-I71 HydrophobicContact CG2-CD1 3.29Å; V22-I71 HydrophobicContact CG2-CD1 3.7Å; T62-I71 HydrophobicContact CG2-CG2 3.64Å; L69-I71 HydrophobicContact CD2-CD1 3.58Å; L69-I71 HydrophobicContact CD2-CG1 3.58Å; L69-I71 HydrophobicContact CG-CG1 4.24Å; I71-F73 HydrophobicContact CB-CE2 3.9Å; I71-F73 HydrophobicContact CB-CZ 4.16Å; I71-F73 HydrophobicContact CG2-CD2 4.12Å; I71-F73 HydrophobicContact CG2-CE1 3.91Å; I71-F73 HydrophobicContact CG2-CE2 3.29Å; I71-F73 HydrophobicContact CG2-CZ 3.15Å; I71-M97 HydrophobicContact CD1-SD 4.22Å; I71-M97 PolarHBondContact N-O 3.1Å; I71-M97 PolarHBondContact O-N 3.23Å |
| 72 | S | 42 | Very low | 41.8 | Very low | 42 Ų | 42 | 62.8 Ų | 62.8 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.6 | 174.2 | -63.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 73 | F | 46.4 | Very low | 41.8 | Very low | 41 Ų | 41 | 67.1 Ų | 67.1 | 18% | 0.18 | 39% | 0.392 | C | S | . | . | trans | -110.2 | 129 | 173.7 | -57.5 | -87.6 | 0 | 0 | 0 | 108.5 | I18 A60 T62 I71 | I18-F73 HydrophobicContact CD1-CE1 4.09Å; I18-F73 HydrophobicContact CD1-CE2 3.54Å; I18-F73 HydrophobicContact CD1-CZ 3.18Å; I18-F73 HydrophobicContact CG1-CE1 4.38Å; I18-F73 HydrophobicContact CG1-CE2 4.48Å; I18-F73 HydrophobicContact CG1-CZ 3.68Å; A60-F73 HydrophobicContact CB-CD1 3.73Å; A60-F73 HydrophobicContact CB-CE1 4.47Å; T62-F73 HydrophobicContact CG2-CD1 4Å; T62-F73 HydrophobicContact CG2-CE1 3.55Å; T62-F73 HydrophobicContact CG2-CZ 4.13Å; I71-F73 HydrophobicContact CB-CE2 3.9Å; I71-F73 HydrophobicContact CB-CZ 4.16Å; I71-F73 HydrophobicContact CG2-CD2 4.12Å; I71-F73 HydrophobicContact CG2-CE1 3.91Å; I71-F73 HydrophobicContact CG2-CE2 3.29Å; I71-F73 HydrophobicContact CG2-CZ 3.15Å | ||
| 74 | S | 39.1 | Very low | 42 | Very low | 74 Ų | 74 | 64.2 Ų | 64.2 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | trans | -107.7 | 114.1 | 169.6 | -54.1 | 0 | 0 | 0 | 0 | 106.6 | L59 | L59-S74 CarbonylContact C-O 3.16Š| ||
| 75 | V | 45.6 | Very low | 41.9 | Very low | 52 Ų | 52 | 66.9 Ų | 66.9 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | trans | -94.4 | 109.9 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 106.2 | M56 F77 | M56-V75 HydrophobicContact CB-CG1 3.79Å; M56-V75 HydrophobicContact CG-CG1 3.53Å; M56-V75 HydrophobicContact SD-CG1 3.07Å; M56-V75 WeakPolarHBondContact SD-CG1 3.41Å; V75-F77 HydrophobicContact CB-CD2 4.31Å; V75-F77 HydrophobicContact CB-CE2 3.98Å; V75-F77 HydrophobicContact CG1-CD1 4.33Å; V75-F77 HydrophobicContact CG1-CD2 3.77Å; V75-F77 HydrophobicContact CG1-CE1 4.12Å; V75-F77 HydrophobicContact CG1-CE2 3.43Å; V75-F77 VanDerWaalsContact CG1-CE2 3.43Å; V75-F77 HydrophobicContact CG1-CG 4.22Å; V75-F77 HydrophobicContact CG1-CZ 3.63Å; V75-F77 WeakPolarHBondContact O-CD2 3.34Å | ||
| 76 | L | 39.9 | Very low | 42.1 | Very low | 98 Ų | 98 | 71.1 Ų | 71.1 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | trans | -98.5 | 148 | 174.1 | -89 | 154.6 | 0 | 0 | 0 | 108.7 | L59 | L59-L76 HydrophobicContact CB-CB 3.79Å; L59-L76 HydrophobicContact CB-CD1 4.12Å; L59-L76 HydrophobicContact CB-CG 4.47Å; L59-L76 HydrophobicContact CD1-CB 3.24Å; L59-L76 HydrophobicContact CD1-CD1 4.17Å; L59-L76 HydrophobicContact CD1-CG 4.31Å; L59-L76 HydrophobicContact CD2-CB 4.23Å; L59-L76 HydrophobicContact CD2-CD1 3.53Å; L59-L76 HydrophobicContact CG-CB 3.85Å; L59-L76 HydrophobicContact CG-CD1 4.08Å | ||
| 77 | F | 44.7 | Very low | 42.4 | Very low | 57 Ų | 57 | 72.4 Ų | 72.4 | 25% | 0.25 | 40% | 0.401 | C | S | . | . | trans | -148.4 | 109.6 | -144.8 | -99.5 | -52.8 | 0 | 0 | 0 | 103.9 | F52 M56 V75 Y85 F92 | F52-F77 HydrophobicContact CE1-CD1 4.23Å; F52-F77 HydrophobicContact CE1-CE1 4.07Å; F52-F77 HydrophobicContact CE2-CD1 4.36Å; F52-F77 AromaticContact CZ-CD1 3.59Å; F52-F77 HydrophobicContact CZ-CD1 3.59Å; F52-F77 AromaticContact CZ-CE1 3.85Å; F52-F77 HydrophobicContact CZ-CE1 3.85Å; M56-F77 HydrophobicContact CE-CE1 3.9Å; M56-F77 HydrophobicContact CE-CZ 4.4Å; M56-F77 HydrophobicContact CG-CD1 3.76Å; M56-F77 HydrophobicContact CG-CE1 3.79Å; M56-F77 HydrophobicContact CG-CZ 4.47Å; M56-F77 HydrophobicContact SD-CD1 3.56Å; M56-F77 VanDerWaalsContact SD-CD1 3.56Å; M56-F77 HydrophobicContact SD-CE1 2.94Å; M56-F77 WeakPolarHBondContact SD-CE1 3.19Å; M56-F77 HydrophobicContact SD-CE2 4.17Å; M56-F77 HydrophobicContact SD-CG 4.44Å; M56-F77 HydrophobicContact SD-CZ 3.28Å; M56-F77 WeakPolarHBondContact SD-CZ 3.29Å; V75-F77 HydrophobicContact CB-CD2 4.31Å; V75-F77 HydrophobicContact CB-CE2 3.98Å; V75-F77 HydrophobicContact CG1-CD1 4.33Å; V75-F77 HydrophobicContact CG1-CD2 3.77Å; V75-F77 HydrophobicContact CG1-CE1 4.12Å; V75-F77 HydrophobicContact CG1-CE2 3.43Å; V75-F77 VanDerWaalsContact CG1-CE2 3.43Å; V75-F77 HydrophobicContact CG1-CG 4.22Å; V75-F77 HydrophobicContact CG1-CZ 3.63Å; V75-F77 WeakPolarHBondContact O-CD2 3.34Å; F77-Y85 VanDerWaalsContact CA-OH 3.31Å; F77-Y85 WeakPolarHBondContact CA-OH 3.43Å; F77-Y85 HydrophobicContact CB-CE1 3.52Å; F77-Y85 WeakPolarHBondContact CB-OH 3.41Å; F77-Y85 HydrophobicContact CD1-CD1 4.39Å; F77-Y85 AromaticContact CD1-CE1 3.25Å; F77-Y85 HydrophobicContact CD1-CE1 3.25Å; F77-Y85 AromaticContact CD1-CZ 3.36Å; F77-Y85 WeakPolarHBondContact CD1-OH 2.98Å; F77-Y85 AromaticContact CD2-CE1 3.65Å; F77-Y85 HydrophobicContact CD2-CE1 3.65Å; F77-Y85 HydrophobicContact CE1-CD1 4.38Å; F77-Y85 AromaticContact CE1-CE1 3.6Å; F77-Y85 HydrophobicContact CE1-CE1 3.6Å; F77-Y85 AromaticContact CE1-CZ 3.96Å; F77-Y85 HydrophobicContact CE2-CE1 4.05Å; F77-Y85 HydrophobicContact CG-CD1 4.41Å; F77-Y85 AromaticContact CG-CE1 3.23Å; F77-Y85 HydrophobicContact CG-CE1 3.23Å; F77-Y85 AromaticContact CG-CZ 3.63Å; F77-Y85 VanDerWaalsContact CG-OH 3.26Å; F77-Y85 WeakPolarHBondContact CG-OH 2.96Å; F77-Y85 HydrophobicContact CZ-CE1 4.02Å; F77-F92 HydrophobicContact CE2-CD2 4.44Å; F77-F92 AromaticContact CZ-CD2 3.86Å; F77-F92 HydrophobicContact CZ-CD2 3.86Å; F77-F92 HydrophobicContact CZ-CE2 4.33Å | ||
| 78 | D | 40.4 | Very low | 42.5 | Very low | 80 Ų | 80 | 70.6 Ų | 70.6 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | trans | -70.7 | 136.7 | -179.5 | -173.2 | 25.8 | 0 | 0 | 0 | 109.7 | S80 H81 Y85 | D78-S80 VanDerWaalsContact CG-OG 3.31Å; D78-S80 PolarHBondContact O-N 3.38Å; D78-S80 PolarHBondContact OD2-OG 3.19Å; D78-H81 PolarHBondContact O-N 3.21Å; D78-Y85 PolarHBondContact O-OH 3.3Å | ||
| 79 | D | 45.1 | Very low | 42.5 | Very low | 129 Ų | 129 | 74.1 Ų | 74.1 | 69% | 0.69 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -65.9 | -8.8 | -174.2 | -77.3 | -38.5 | 0 | 0 | 0 | 112.3 | H81 I82 | D79-H81 PolarHBondContact O-N 3.41Å; D79-I82 WeakPolarHBondContact O-CD1 3.38Å; D79-I82 VanDerWaalsContact O-CG1 3.26Å; D79-I82 WeakPolarHBondContact O-CG1 3.19Å |
| 80 | S | 43.8 | Very low | 42.5 | Very low | 73 Ų | 73 | 76.8 Ų | 76.8 | 51% | 0.51 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -67.5 | -12.8 | 176.6 | 55 | 0 | 0 | 0 | 0 | 114.2 | D78 | D78-S80 VanDerWaalsContact CG-OG 3.31Å; D78-S80 PolarHBondContact O-N 3.38Å; D78-S80 PolarHBondContact OD2-OG 3.19Å |
| 81 | H | 46.1 | Very low | 42.4 | Very low | 59 Ų | 59 | 77.7 Ų | 77.7 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -123.5 | 22.4 | -170.5 | -69.3 | 67.1 | 0 | 0 | 0 | 115.1 | F52 D78 D79 P83 C84 Y85 | F52-H81 HydrophobicContact CD2-CB 3.79Å; F52-H81 AromaticContact CD2-CD2 3.73Å; F52-H81 AromaticContact CD2-CG 3.52Å; F52-H81 AromaticContact CD2-ND1 3.89Å; F52-H81 HydrophobicContact CE2-CB 3.38Å; F52-H81 AromaticContact CE2-CG 3.67Å; F52-H81 HydrophobicContact CZ-CB 3.89Å; D78-H81 PolarHBondContact O-N 3.21Å; D79-H81 PolarHBondContact O-N 3.41Å; H81-P83 WeakPolarHBondContact O-CD 3.4Å; H81-C84 PolarHBondContact O-N 3.29Å; H81-Y85 HydrophobicContact CB-CE2 4.19Å; H81-Y85 WeakPolarHBondContact O-CD2 3.48Å; H81-Y85 WeakPolarHBondContact O-CE2 3.42Å |
| 82 | I | 44 | Very low | 42.4 | Very low | 93 Ų | 93 | 81 Ų | 81 | 48% | 0.477 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -41.4 | -31.7 | 179.7 | -66.4 | 161.6 | 0 | 0 | 0 | 115.7 | D79 C84 Y85 | D79-I82 WeakPolarHBondContact O-CD1 3.38Å; D79-I82 VanDerWaalsContact O-CG1 3.26Å; D79-I82 WeakPolarHBondContact O-CG1 3.19Å; I82-C84 VanDerWaalsContact C-N 3.34Å; I82-C84 PolarHBondContact O-N 3.41Å; I82-Y85 WeakPolarHBondContact O-CB 3.17Å; I82-Y85 WeakPolarHBondContact O-CD2 3.38Å; I82-Y85 PolarHBondContact O-N 2.97Å |
| 83 | P | 43.8 | Very low | 42.1 | Very low | 108 Ų | 108 | 85.6 Ų | 85.6 | 70% | 0.701 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -64.2 | -29 | 178.1 | -21.9 | 34 | 0 | 0 | 0 | 115.1 | H81 Y85 | H81-P83 WeakPolarHBondContact O-CD 3.4Å; P83-Y85 VanDerWaalsContact C-N 3.26Å; P83-Y85 PolarHBondContact O-N 3.39Å |
| 84 | C | 43.7 | Very low | 41.8 | Very low | 26 Ų | 26 | 91.1 Ų | 91.1 | 18% | 0.176 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -75.2 | -15.8 | 179.1 | -52.1 | 0 | 0 | 0 | 0 | 111 | C48 H81 I82 Y90 | C48-C84 WeakPolarHBondContact CB-SG 3.29Å; C48-C84 WeakPolarHBondContact SG-CB 3.29Å; C48-C84 CovalentContact SG-SG 2.14Å; C48-C84 PolarHBondContact SG-SG 2.61Å; H81-C84 PolarHBondContact O-N 3.29Å; I82-C84 VanDerWaalsContact C-N 3.34Å; I82-C84 PolarHBondContact O-N 3.41Å; C84-Y90 WeakPolarHBondContact O-CD2 3.45Å |
| 85 | Y | 41.2 | Very low | 41.9 | Very low | 68 Ų | 68 | 90 Ų | 90 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -33.3 | -173.7 | -64.5 | -100.9 | 0 | 0 | 0 | 115.2 | F52 F77 D78 H81 I82 P83 N87 | F52-Y85 HydrophobicContact CZ-CE2 4.08Å; F52-Y85 AromaticContact CZ-CZ 3.91Å; F52-Y85 WeakPolarHBondContact CZ-OH 3.48Å; F77-Y85 VanDerWaalsContact CA-OH 3.31Å; F77-Y85 WeakPolarHBondContact CA-OH 3.43Å; F77-Y85 HydrophobicContact CB-CE1 3.52Å; F77-Y85 WeakPolarHBondContact CB-OH 3.41Å; F77-Y85 HydrophobicContact CD1-CD1 4.39Å; F77-Y85 AromaticContact CD1-CE1 3.25Å; F77-Y85 HydrophobicContact CD1-CE1 3.25Å; F77-Y85 AromaticContact CD1-CZ 3.36Å; F77-Y85 WeakPolarHBondContact CD1-OH 2.98Å; F77-Y85 AromaticContact CD2-CE1 3.65Å; F77-Y85 HydrophobicContact CD2-CE1 3.65Å; F77-Y85 HydrophobicContact CE1-CD1 4.38Å; F77-Y85 AromaticContact CE1-CE1 3.6Å; F77-Y85 HydrophobicContact CE1-CE1 3.6Å; F77-Y85 AromaticContact CE1-CZ 3.96Å; F77-Y85 HydrophobicContact CE2-CE1 4.05Å; F77-Y85 HydrophobicContact CG-CD1 4.41Å; F77-Y85 AromaticContact CG-CE1 3.23Å; F77-Y85 HydrophobicContact CG-CE1 3.23Å; F77-Y85 AromaticContact CG-CZ 3.63Å; F77-Y85 VanDerWaalsContact CG-OH 3.26Å; F77-Y85 WeakPolarHBondContact CG-OH 2.96Å; F77-Y85 HydrophobicContact CZ-CE1 4.02Å; D78-Y85 PolarHBondContact O-OH 3.3Å; H81-Y85 HydrophobicContact CB-CE2 4.19Å; H81-Y85 WeakPolarHBondContact O-CD2 3.48Å; H81-Y85 WeakPolarHBondContact O-CE2 3.42Å; I82-Y85 WeakPolarHBondContact O-CB 3.17Å; I82-Y85 WeakPolarHBondContact O-CD2 3.38Å; I82-Y85 PolarHBondContact O-N 2.97Å; P83-Y85 VanDerWaalsContact C-N 3.26Å; P83-Y85 PolarHBondContact O-N 3.39Å; Y85-N87 PolarHBondContact O-N 3Å |
| 86 | N | 41.9 | Very low | 41.7 | Very low | 146 Ų | 146 | 90.9 Ų | 90.9 | 78% | 0.781 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -1.3 | 176.4 | -81 | -18.2 | 0 | 0 | 0 | 112.8 | P88 | N86-P88 WeakPolarHBondContact O-CD 3.18Š|
| 87 | N | 43.5 | Very low | 41.7 | Very low | 54 Ų | 54 | 87 Ų | 87 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -83.6 | 114.4 | 172.3 | -173.5 | -18.7 | 0 | 0 | 0 | 108.6 | Y85 R89 Y90 | Y85-N87 PolarHBondContact O-N 3Å; N87-R89 PolarHBondContact O-N 3.26Å; N87-R89 WeakPolarHBondContact OD1-CB 3.39Å; N87-R89 WeakPolarHBondContact OD1-CG 3.38Å; N87-R89 PolarHBondContact OD1-N 3.42Å; N87-Y90 HydrophobicContact CB-CD2 4.02Å; N87-Y90 PolarHBondContact O-N 3Å |
| 88 | P | 42.2 | Very low | 41.4 | Very low | 112 Ų | 112 | 88.3 Ų | 88.3 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -60.9 | -7.5 | -177.5 | 24.4 | -33.9 | 0 | 0 | 0 | 113.7 | N86 Y90 | N86-P88 WeakPolarHBondContact O-CD 3.18Å; P88-Y90 VanDerWaalsContact C-N 3.28Å |
| 89 | R | 38.3 | Very low | 41.3 | Very low | 177 Ų | 177 | 85.9 Ų | 85.9 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -71.4 | -18.4 | 169.5 | -67.1 | -175.6 | 176.7 | -176.4 | 0.4 | 114 | N87 | N87-R89 PolarHBondContact O-N 3.26Å; N87-R89 WeakPolarHBondContact OD1-CB 3.39Å; N87-R89 WeakPolarHBondContact OD1-CG 3.38Å; N87-R89 PolarHBondContact OD1-N 3.42Å |
| 90 | Y | 38.3 | Very low | 40.8 | Very low | 59 Ų | 59 | 86.4 Ų | 86.4 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -112.7 | 23.5 | -178.5 | -63.6 | -78.9 | 0 | 0 | 0 | 113.3 | C84 N87 P88 F92 | C84-Y90 WeakPolarHBondContact O-CD2 3.45Å; N87-Y90 HydrophobicContact CB-CD2 4.02Å; N87-Y90 PolarHBondContact O-N 3Å; P88-Y90 VanDerWaalsContact C-N 3.28Å; Y90-F92 HydrophobicContact CD1-CE2 4.24Å; Y90-F92 WeakPolarHBondContact O-CD2 3.07Å; Y90-F92 PolarHBondContact O-N 3.21Å |
| 91 | S | 37.3 | Very low | 40.5 | Very low | 79 Ų | 79 | 93.1 Ų | 93.1 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | trans | -70.8 | 92.9 | 168.8 | 67.7 | 0 | 0 | 0 | 0 | 109.6 | N93 | S91-N93 PolarHBondContact O-N 3.33Š| ||
| 92 | F | 43.4 | Very low | 40.2 | Very low | 75 Ų | 75 | 94.8 Ų | 94.8 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | trans | -79.6 | 78.5 | 167.5 | -69.6 | -83.9 | 0 | 0 | 0 | 108.8 | M10 F77 Y90 K94 | M10-F92 HydrophobicContact SD-CZ 4.08Å; F77-F92 HydrophobicContact CE2-CD2 4.44Å; F77-F92 AromaticContact CZ-CD2 3.86Å; F77-F92 HydrophobicContact CZ-CD2 3.86Å; F77-F92 HydrophobicContact CZ-CE2 4.33Å; Y90-F92 HydrophobicContact CD1-CE2 4.24Å; Y90-F92 WeakPolarHBondContact O-CD2 3.07Å; Y90-F92 PolarHBondContact O-N 3.21Å; F92-K94 PolarHBondContact O-N 2.89Å | ||
| 93 | N | 35.8 | Very low | 40 | Very low | 137 Ų | 137 | 94.9 Ų | 94.9 | 73% | 0.733 | 48% | 0.482 | S | S | * | . | trans | -64.3 | 120.9 | 161.1 | -73.1 | -33.9 | 0 | 0 | 0 | 106.9 | S91 L95 | S91-N93 PolarHBondContact O-N 3.33Å; N93-L95 PolarHBondContact O-N 3.05Å | ||
| 94 | K | 40.7 | Very low | 39.8 | Very low | 157 Ų | 157 | 94.2 Ų | 94.2 | 68% | 0.683 | 47% | 0.47 | S | S | * | . | trans | -13.3 | 104 | 170.3 | -177.5 | -177.2 | 177 | 178.2 | 0 | 112.5 | F92 T96 | F92-K94 PolarHBondContact O-N 2.89Å; K94-T96 PolarHBondContact O-N 3.01Å; K94-T96 VanDerWaalsContact O-N 3.13Å | ||
| 95 | L | 41.1 | Very low | 39.6 | Very low | 51 Ų | 51 | 98.2 Ų | 98.2 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | trans | -82 | 99.1 | 178.5 | -147.4 | 147.3 | 0 | 0 | 0 | 107.2 | L14 N93 | L14-L95 HydrophobicContact CD1-CD1 4.42Å; N93-L95 PolarHBondContact O-N 3.05Å | ||
| 96 | T | 40.3 | Very low | 39.5 | Very low | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.5 | 175.8 | -51.2 | 0 | 0 | 0 | 0 | 107.3 | T70 K94 | T70-T96 HydrophobicContact CG2-CG2 4.18Å; K94-T96 PolarHBondContact O-N 3.01Å; K94-T96 VanDerWaalsContact O-N 3.13Å |
| 97 | M | 41.1 | Very low | 39.3 | Very low | 17 Ų | 17 | 97 Ų | 97 | 8% | 0.084 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.7 | 172.2 | -178.2 | 176.4 | -101.3 | 0 | 0 | 108 | I4 V15 I18 I71 I99 | I4-M97 HydrophobicContact CD1-CE 3.8Å; V15-M97 HydrophobicContact CB-CE 4.4Å; V15-M97 HydrophobicContact CG1-CE 4.11Å; V15-M97 HydrophobicContact CG2-CE 3.67Å; I18-M97 HydrophobicContact CG2-SD 3.94Å; I71-M97 HydrophobicContact CD1-SD 4.22Å; I71-M97 PolarHBondContact N-O 3.1Å; I71-M97 PolarHBondContact O-N 3.23Å; M97-I99 HydrophobicContact CG-CD1 4.21Å; M97-I99 HydrophobicContact CG-CG1 4.04Å; M97-I99 HydrophobicContact SD-CD1 3.89Å; M97-I99 HydrophobicContact SD-CG1 4.36Å |
| 98 | T | 38.6 | Very low | 39 | Very low | 84 Ų | 84 | 100.1 Ų | 100.1 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.8 | 173.7 | -52.2 | 0 | 0 | 0 | 0 | 108 | L100 | T98-L100 HydrophobicContact CG2-CD2 4.2Å; T98-L100 HydrophobicContact CG2-CG 4.42Å |
| 99 | I | 37.9 | Very low | 38.8 | Very low | 29 Ų | 29 | 99.2 Ų | 99.2 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.9 | 174 | -63.1 | 177 | 0 | 0 | 0 | 107.3 | V22 L69 M97 Y101 | V22-I99 HydrophobicContact CB-CD1 4.21Å; V22-I99 HydrophobicContact CG1-CD1 3.67Å; V22-I99 HydrophobicContact CG2-CD1 4.04Å; L69-I99 HydrophobicContact CB-CB 4.27Å; L69-I99 HydrophobicContact CD2-CB 3.85Å; L69-I99 HydrophobicContact CD2-CD1 3.71Å; L69-I99 HydrophobicContact CD2-CG1 3.97Å; L69-I99 PolarHBondContact O-N 3.24Å; L69-I99 VanDerWaalsContact O-N 3.12Å; M97-I99 HydrophobicContact CG-CD1 4.21Å; M97-I99 HydrophobicContact CG-CG1 4.04Å; M97-I99 HydrophobicContact SD-CD1 3.89Å; M97-I99 HydrophobicContact SD-CG1 4.36Å; I99-Y101 HydrophobicContact CG2-CE2 4.23Å |
| 100 | L | 35 | Very low | 38.8 | Very low | 140 Ų | 140 | 92.7 Ų | 92.7 | 73% | 0.733 | 46% | 0.462 | S | S | * | . | trans | -95.1 | 122.5 | 174.8 | -61.2 | 173.3 | 0 | 0 | 0 | 107.6 | T98 | T98-L100 HydrophobicContact CG2-CD2 4.2Å; T98-L100 HydrophobicContact CG2-CG 4.42Å | ||
| 101 | Y | 36.6 | Very low | 38.9 | Very low | 213 Ų | 213 | 95.7 Ų | 95.7 | 84% | 0.835 | 48% | 0.483 | S | S | * | . | trans | -85.2 | 0 | 170 | -76.3 | -87.1 | 0 | 0 | 0 | 110.5 | V22 I99 | V22-Y101 PolarHBondContact O-OH 3.01Å; I99-Y101 HydrophobicContact CG2-CE2 4.23Å |
Retrieved 101 of 101 residues in 16.6 ms
(Link to these results)