| 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 | 47.5 | Very low | 47.2 | Very low | 229 Ų | 229 | 100.2 Ų | 100.2 | 100% | 1.128 | 56% | 0.557 | S | S | * | * | 0 | -0 | 0 | -68.1 | 174.8 | 100.3 | 0 | 0 | 114.1 | |||||
| 2 | V | 42.2 | Very low | 47.8 | Very low | 122 Ų | 122 | 102.6 Ų | 102.6 | 74% | 0.739 | 57% | 0.567 | S | S | * | * | trans | -89 | -21.6 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | S4 F6 | V2-S4 PolarHBondContact O-N 3.12Å; V2-F6 PolarHBondContact O-N 3.05Å | ||
| 3 | S | 49.7 | Very low | 48.1 | Very low | 99 Ų | 99 | 98.5 Ų | 98.5 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.4 | -33.9 | -172.1 | 68.8 | 0 | 0 | 0 | 0 | 114.4 | M7 | S3-M7 WeakPolarHBondContact O-CB 3.41Å; S3-M7 PolarHBondContact O-N 3.16Å |
| 4 | S | 41.8 | Very low | 48.6 | Very low | 82 Ų | 82 | 92.8 Ų | 92.8 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.4 | -37.8 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | V2 M7 A8 | V2-S4 PolarHBondContact O-N 3.12Å; S4-M7 PolarHBondContact O-N 3.14Å; S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.17Å |
| 5 | F | 46 | Very low | 48.7 | Very low | 164 Ų | 164 | 90.5 Ų | 90.5 | 72% | 0.719 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.3 | -39.9 | 177.7 | -169.4 | -94.6 | 0 | 0 | 0 | 111.7 | S9 | F5-S9 PolarHBondContact O-N 3.01Å; F5-S9 VanDerWaalsContact O-N 3.13Å; F5-S9 PolarHBondContact O-OG 3.35Å |
| 6 | F | 47.3 | Very low | 48.8 | Very low | 136 Ų | 136 | 89.2 Ų | 89.2 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -39.6 | 174.1 | -168.5 | -98.1 | 0 | 0 | 0 | 111.5 | V2 S9 T10 | V2-F6 PolarHBondContact O-N 3.05Å; F6-S9 PolarHBondContact O-OG 3.4Å; F6-T10 WeakPolarHBondContact O-CB 3.24Å; F6-T10 PolarHBondContact O-N 3.49Å; F6-T10 PolarHBondContact O-OG1 3.01Å |
| 7 | M | 44.5 | Very low | 48.9 | Very low | 90 Ų | 90 | 87.9 Ų | 87.9 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.2 | -172.3 | 145.1 | 144 | 0 | 0 | 112.6 | S3 S4 T10 L11 F98 | S3-M7 WeakPolarHBondContact O-CB 3.41Å; S3-M7 PolarHBondContact O-N 3.16Å; S4-M7 PolarHBondContact O-N 3.14Å; M7-T10 PolarHBondContact O-N 3.2Å; M7-L11 HydrophobicContact CG-CD1 4.25Å; M7-L11 WeakPolarHBondContact O-CB 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.09Å; M7-F98 HydrophobicContact SD-CE2 4.1Å |
| 8 | A | 47.4 | Very low | 49.1 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S4 L11 L12 | S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.22Å; A8-L12 PolarHBondContact O-N 3.38Å |
| 9 | S | 48.3 | Very low | 49.1 | Very low | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.3 | -33.2 | 179.3 | 39.9 | 0 | 0 | 0 | 0 | 112.4 | F5 F6 L12 A13 | F5-S9 PolarHBondContact O-N 3.01Å; F5-S9 VanDerWaalsContact O-N 3.13Å; F5-S9 PolarHBondContact O-OG 3.35Å; F6-S9 PolarHBondContact O-OG 3.4Å; S9-L12 PolarHBondContact O-N 3.22Å; S9-A13 WeakPolarHBondContact O-CB 3.33Å; S9-A13 PolarHBondContact O-N 3.09Å |
| 10 | T | 51.7 | Low | 48.8 | Very low | 24 Ų | 24 | 84.9 Ų | 84.9 | 15% | 0.147 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 171.4 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | F6 M7 L12 A13 I14 L94 | F6-T10 WeakPolarHBondContact O-CB 3.24Å; F6-T10 PolarHBondContact O-N 3.49Å; F6-T10 PolarHBondContact O-OG1 3.01Å; M7-T10 PolarHBondContact O-N 3.2Å; T10-L12 VanDerWaalsContact C-N 3.29Å; T10-L12 PolarHBondContact O-N 3.3Å; T10-A13 PolarHBondContact O-N 3.39Å; T10-I14 HydrophobicContact CG2-CD1 3.75Å; T10-I14 HydrophobicContact CG2-CG1 4.39Å; T10-I14 WeakPolarHBondContact O-CB 3.48Å; T10-I14 WeakPolarHBondContact O-CD1 3.19Å; T10-I14 WeakPolarHBondContact O-CG1 3.49Å; T10-I14 PolarHBondContact O-N 2.84Å; T10-L94 HydrophobicContact CG2-CD1 3.96Å; T10-L94 HydrophobicContact CG2-CD2 3.3Å; T10-L94 HydrophobicContact CG2-CG 4.28Å |
| 11 | L | 53.2 | Low | 48.7 | Very low | 43 Ų | 43 | 83.8 Ų | 83.8 | 23% | 0.225 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 176.6 | -75.2 | 167.4 | 0 | 0 | 0 | 112.4 | M7 A8 I14 S15 I64 F65 | M7-L11 HydrophobicContact CG-CD1 4.25Å; M7-L11 WeakPolarHBondContact O-CB 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.09Å; A8-L11 PolarHBondContact O-N 3.31Å; L11-I14 PolarHBondContact O-N 3.02Å; L11-S15 WeakPolarHBondContact O-CB 3.21Å; L11-S15 PolarHBondContact O-N 3.28Å; L11-I64 HydrophobicContact CD1-CD1 3.79Å; L11-I64 HydrophobicContact CD2-CD1 4.27Å; L11-F65 HydrophobicContact CD2-CE2 4.05Å |
| 12 | L | 53.9 | Low | 48.6 | Very low | 129 Ų | 129 | 76.3 Ų | 76.3 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 175.6 | -165.7 | 72.9 | 0 | 0 | 0 | 111.7 | A8 S9 T10 S15 S16 | A8-L12 WeakPolarHBondContact O-CB 3.22Å; A8-L12 PolarHBondContact O-N 3.38Å; S9-L12 PolarHBondContact O-N 3.22Å; T10-L12 VanDerWaalsContact C-N 3.29Å; T10-L12 PolarHBondContact O-N 3.3Å; L12-S15 PolarHBondContact O-N 3.41Å; L12-S16 WeakPolarHBondContact O-CB 3.08Å; L12-S16 PolarHBondContact O-N 2.94Å |
| 13 | A | 52 | Low | 48.5 | Very low | 50 Ų | 50 | 74.6 Ų | 74.6 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S9 T10 S16 C17 | S9-A13 WeakPolarHBondContact O-CB 3.33Å; S9-A13 PolarHBondContact O-N 3.09Å; T10-A13 PolarHBondContact O-N 3.39Å; A13-S16 PolarHBondContact O-N 2.84Å; A13-S16 PolarHBondContact O-OG 2.8Å; A13-C17 PolarHBondContact O-N 2.91Å |
| 14 | I | 55.4 | Low | 48.1 | Very low | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.092 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 174.1 | -67.7 | 162.6 | 0 | 0 | 0 | 110.2 | T10 L11 S16 C17 F18 F65 L91 | T10-I14 HydrophobicContact CG2-CD1 3.75Å; T10-I14 HydrophobicContact CG2-CG1 4.39Å; T10-I14 WeakPolarHBondContact O-CB 3.48Å; T10-I14 WeakPolarHBondContact O-CD1 3.19Å; T10-I14 WeakPolarHBondContact O-CG1 3.49Å; T10-I14 PolarHBondContact O-N 2.84Å; L11-I14 PolarHBondContact O-N 3.02Å; I14-S16 VanDerWaalsContact C-N 3.31Å; I14-S16 PolarHBondContact O-N 3.45Å; I14-C17 PolarHBondContact O-N 3.24Å; I14-F18 HydrophobicContact CG2-CD2 3.52Å; I14-F18 HydrophobicContact CG2-CE2 3.41Å; I14-F18 VanDerWaalsContact CG2-CE2 3.41Å; I14-F18 WeakPolarHBondContact O-CD2 3.14Å; I14-F18 PolarHBondContact O-N 3.28Å; I14-F65 HydrophobicContact CD1-CZ 4.29Å; I14-F65 HydrophobicContact CG2-CE1 4.5Å; I14-F65 HydrophobicContact CG2-CZ 4.13Å; I14-L91 HydrophobicContact CB-CD2 4.42Å; I14-L91 HydrophobicContact CD1-CD2 4.23Å; I14-L91 HydrophobicContact CG1-CD2 3.47Å; I14-L91 VanDerWaalsContact CG1-CD2 3.47Å; I14-L91 HydrophobicContact CG2-CD2 4.48Å |
| 15 | S | 49.8 | Very low | 48 | Very low | 59 Ų | 59 | 77.5 Ų | 77.5 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | L11 L12 F18 N19 | L11-S15 WeakPolarHBondContact O-CB 3.21Å; L11-S15 PolarHBondContact O-N 3.28Å; L12-S15 PolarHBondContact O-N 3.41Å; S15-F18 PolarHBondContact O-N 3.02Å; S15-N19 PolarHBondContact O-N 2.91Å |
| 16 | S | 50.7 | Low | 47.7 | Very low | 69 Ų | 69 | 76.6 Ų | 76.6 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 177.5 | 75 | 0 | 0 | 0 | 0 | 112.8 | L12 A13 I14 N19 S20 | L12-S16 WeakPolarHBondContact O-CB 3.08Å; L12-S16 PolarHBondContact O-N 2.94Å; A13-S16 PolarHBondContact O-N 2.84Å; A13-S16 PolarHBondContact O-OG 2.8Å; I14-S16 VanDerWaalsContact C-N 3.31Å; I14-S16 PolarHBondContact O-N 3.45Å; S16-N19 PolarHBondContact O-N 2.79Å; S16-S20 PolarHBondContact O-N 3.01Å |
| 17 | C | 50.6 | Low | 47.5 | Very low | 68 Ų | 68 | 72.3 Ų | 72.3 | 46% | 0.459 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.9 | -78.2 | 0 | 0 | 0 | 0 | 110.9 | A13 I14 S20 S21 | A13-C17 PolarHBondContact O-N 2.91Å; I14-C17 PolarHBondContact O-N 3.24Å; C17-S20 PolarHBondContact O-N 3.29Å; C17-S21 PolarHBondContact O-N 2.75Å; C17-S21 PolarHBondContact O-OG 2.89Å |
| 18 | F | 52.3 | Low | 47.3 | Very low | 29 Ų | 29 | 76 Ų | 76 | 13% | 0.127 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 177 | -83.3 | -71 | 0 | 0 | 0 | 112.6 | I14 S15 S20 S21 I22 F68 V85 | I14-F18 HydrophobicContact CG2-CD2 3.52Å; I14-F18 HydrophobicContact CG2-CE2 3.41Å; I14-F18 VanDerWaalsContact CG2-CE2 3.41Å; I14-F18 WeakPolarHBondContact O-CD2 3.14Å; I14-F18 PolarHBondContact O-N 3.28Å; S15-F18 PolarHBondContact O-N 3.02Å; F18-S20 VanDerWaalsContact C-N 3.3Å; F18-S20 PolarHBondContact O-N 3.29Å; F18-S21 PolarHBondContact O-N 3.33Å; F18-I22 WeakPolarHBondContact O-CB 3.43Å; F18-I22 WeakPolarHBondContact O-CG1 3.17Å; F18-I22 PolarHBondContact O-N 3.27Å; F18-F68 HydrophobicContact CB-CE2 4.28Å; F18-F68 HydrophobicContact CB-CZ 4.08Å; F18-F68 AromaticContact CD1-CE1 3.69Å; F18-F68 HydrophobicContact CD1-CE1 3.69Å; F18-F68 HydrophobicContact CD1-CE2 4.28Å; F18-F68 AromaticContact CD1-CZ 3.34Å; F18-F68 HydrophobicContact CD1-CZ 3.34Å; F18-F68 HydrophobicContact CD2-CZ 4.42Å; F18-F68 AromaticContact CE1-CE1 3.58Å; F18-F68 HydrophobicContact CE1-CE1 3.58Å; F18-F68 AromaticContact CE1-CZ 3.76Å; F18-F68 HydrophobicContact CE1-CZ 3.76Å; F18-F68 HydrophobicContact CG-CE1 4.31Å; F18-F68 HydrophobicContact CG-CE2 4.24Å; F18-F68 AromaticContact CG-CZ 3.72Å; F18-F68 HydrophobicContact CG-CZ 3.72Å; F18-F68 HydrophobicContact CZ-CE1 4.14Å; F18-F68 HydrophobicContact CZ-CZ 4.49Å; F18-V85 HydrophobicContact CE1-CG1 3.47Å; F18-V85 VanDerWaalsContact CE1-CG1 3.47Å; F18-V85 HydrophobicContact CE1-CG2 4.28Å; F18-V85 HydrophobicContact CZ-CG1 3.86Å |
| 19 | N | 47.9 | Very low | 46.9 | Very low | 108 Ų | 108 | 77.5 Ų | 77.5 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 175.3 | -90.8 | -12.4 | 0 | 0 | 0 | 112.2 | S15 S16 S23 | S15-N19 PolarHBondContact O-N 2.91Å; S16-N19 PolarHBondContact O-N 2.79Å; N19-S23 VanDerWaalsContact O-CB 3.24Å; N19-S23 WeakPolarHBondContact O-CB 3.43Å; N19-S23 PolarHBondContact O-N 2.74Å |
| 20 | S | 44.8 | Very low | 46.8 | Very low | 66 Ų | 66 | 80.4 Ų | 80.4 | 46% | 0.462 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 174.8 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | S16 C17 F18 R24 | S16-S20 PolarHBondContact O-N 3.01Å; C17-S20 PolarHBondContact O-N 3.29Å; F18-S20 VanDerWaalsContact C-N 3.3Å; F18-S20 PolarHBondContact O-N 3.29Å; S20-R24 WeakPolarHBondContact O-CG 3.45Å; S20-R24 PolarHBondContact O-N 3.36Å; S20-R24 VanDerWaalsContact O-N 3.09Å |
| 21 | S | 45.5 | Very low | 46.5 | Very low | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 179 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | C17 F18 R24 A25 | C17-S21 PolarHBondContact O-N 2.75Å; C17-S21 PolarHBondContact O-OG 2.89Å; F18-S21 PolarHBondContact O-N 3.33Å; S21-R24 WeakPolarHBondContact O-CB 3.17Å; S21-R24 PolarHBondContact O-N 2.93Å; S21-A25 WeakPolarHBondContact O-CB 3.48Å; S21-A25 PolarHBondContact O-N 2.77Å |
| 22 | I | 45.6 | Very low | 46.1 | Very low | 73 Ų | 73 | 85.9 Ų | 85.9 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 172.9 | -68.5 | 165.2 | 0 | 0 | 0 | 110.2 | F18 R24 A25 K26 F68 | F18-I22 WeakPolarHBondContact O-CB 3.43Å; F18-I22 WeakPolarHBondContact O-CG1 3.17Å; F18-I22 PolarHBondContact O-N 3.27Å; I22-R24 PolarHBondContact O-N 3.15Å; I22-A25 PolarHBondContact O-N 3.22Å; I22-K26 WeakPolarHBondContact O-CB 3.33Å; I22-K26 PolarHBondContact O-N 2.79Å; I22-F68 HydrophobicContact CD1-CE2 4.23Å; I22-F68 HydrophobicContact CD1-CZ 4.07Å |
| 23 | S | 40.1 | Very low | 45.7 | Very low | 86 Ų | 86 | 87.5 Ų | 87.5 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -32.4 | 174 | -172 | 0 | 0 | 0 | 0 | 112.2 | N19 G27 | N19-S23 VanDerWaalsContact O-CB 3.24Å; N19-S23 WeakPolarHBondContact O-CB 3.43Å; N19-S23 PolarHBondContact O-N 2.74Å; S23-G27 PolarHBondContact O-N 2.99Å |
| 24 | R | 42.1 | Very low | 45.4 | Very low | 183 Ų | 183 | 89.9 Ų | 89.9 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.1 | -44.9 | 172.7 | -79.6 | -179.8 | 165.4 | -178.5 | -4.4 | 112.1 | S20 S21 I22 K26 G27 Y28 | S20-R24 WeakPolarHBondContact O-CG 3.45Å; S20-R24 PolarHBondContact O-N 3.36Å; S20-R24 VanDerWaalsContact O-N 3.09Å; S21-R24 WeakPolarHBondContact O-CB 3.17Å; S21-R24 PolarHBondContact O-N 2.93Å; I22-R24 PolarHBondContact O-N 3.15Å; R24-K26 VanDerWaalsContact C-N 3.28Å; R24-K26 PolarHBondContact O-N 2.91Å; R24-G27 PolarHBondContact O-N 3.35Å; R24-G27 VanDerWaalsContact O-N 3.09Å; R24-Y28 WeakPolarHBondContact O-CD2 3.46Å; R24-Y28 PolarHBondContact O-N 2.86Å |
| 25 | A | 38.7 | Very low | 44.8 | Very low | 59 Ų | 59 | 95.6 Ų | 95.6 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S21 I22 Y28 N29 | S21-A25 WeakPolarHBondContact O-CB 3.48Å; S21-A25 PolarHBondContact O-N 2.77Å; I22-A25 PolarHBondContact O-N 3.22Å; A25-Y28 PolarHBondContact O-N 2.76Å; A25-N29 PolarHBondContact O-N 2.81Å |
| 26 | K | 40.2 | Very low | 44.1 | Very low | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | 173.2 | -165.1 | 171.4 | -176.3 | 175.1 | 0 | 112.3 | I22 R24 Y28 N29 D30 | I22-K26 WeakPolarHBondContact O-CB 3.33Å; I22-K26 PolarHBondContact O-N 2.79Å; R24-K26 VanDerWaalsContact C-N 3.28Å; R24-K26 PolarHBondContact O-N 2.91Å; K26-Y28 VanDerWaalsContact C-N 3.32Å; K26-Y28 PolarHBondContact O-N 2.91Å; K26-N29 PolarHBondContact O-N 3.36Å; K26-D30 PolarHBondContact O-N 3.17Å |
| 27 | G | 43.1 | Very low | 43.6 | Very low | 46 Ų | 46 | 101 Ų | 101 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.4 | -27.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S23 R24 | S23-G27 PolarHBondContact O-N 2.99Å; R24-G27 PolarHBondContact O-N 3.35Å; R24-G27 VanDerWaalsContact O-N 3.09Å |
| 28 | Y | 40.7 | Very low | 42.9 | Very low | 167 Ų | 167 | 107.3 Ų | 107.3 | 66% | 0.655 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.3 | -35.3 | 171 | -88.7 | -82.5 | 0 | 0 | 0 | 112.2 | R24 A25 K26 S31 L32 | R24-Y28 WeakPolarHBondContact O-CD2 3.46Å; R24-Y28 PolarHBondContact O-N 2.86Å; A25-Y28 PolarHBondContact O-N 2.76Å; K26-Y28 VanDerWaalsContact C-N 3.32Å; K26-Y28 PolarHBondContact O-N 2.91Å; Y28-S31 CarbonylContact O-C 3.57Å; Y28-S31 PolarHBondContact O-N 3.48Å; Y28-S31 VanDerWaalsContact O-N 3.14Å; Y28-L32 WeakPolarHBondContact O-CB 3.15Å; Y28-L32 PolarHBondContact O-N 2.56Å |
| 29 | N | 39.3 | Very low | 42.2 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 179.3 | -153.7 | 26.6 | 0 | 0 | 0 | 112.1 | A25 K26 S31 L32 E33 | A25-N29 PolarHBondContact O-N 2.81Å; K26-N29 PolarHBondContact O-N 3.36Å; N29-S31 PolarHBondContact O-N 3.12Å; N29-S31 VanDerWaalsContact O-N 3.16Å; N29-L32 PolarHBondContact O-N 2.82Å; N29-L32 VanDerWaalsContact O-N 3.12Å; N29-E33 PolarHBondContact O-N 2.97Å |
| 30 | D | 46.1 | Very low | 41.7 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -20.3 | 173.5 | -68.2 | -15.8 | 0 | 0 | 0 | 112.5 | K26 | K26-D30 PolarHBondContact O-N 3.17Å |
| 31 | S | 43.7 | Very low | 41.3 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -97.5 | -11.5 | 177.8 | -162.6 | 0 | 0 | 0 | 0 | 113.7 | Y28 N29 | Y28-S31 CarbonylContact O-C 3.57Å; Y28-S31 PolarHBondContact O-N 3.48Å; Y28-S31 VanDerWaalsContact O-N 3.14Å; N29-S31 PolarHBondContact O-N 3.12Å; N29-S31 VanDerWaalsContact O-N 3.16Å |
| 32 | L | 45.6 | Very low | 40.8 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -101.7 | -13.6 | -177.3 | -102.6 | 149.5 | 0 | 0 | 0 | 113.4 | Y28 N29 S34 E35 | Y28-L32 WeakPolarHBondContact O-CB 3.15Å; Y28-L32 PolarHBondContact O-N 2.56Å; N29-L32 PolarHBondContact O-N 2.82Å; N29-L32 VanDerWaalsContact O-N 3.12Å; L32-S34 PolarHBondContact O-N 3.3Å; L32-E35 PolarHBondContact O-N 3.38Å |
| 33 | E | 45 | Very low | 40.5 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -4.5 | 168.1 | -71.4 | -168.8 | 156.4 | 0 | 0 | 113.4 | N29 | N29-E33 PolarHBondContact O-N 2.97Š|
| 34 | S | 45.4 | Very low | 40.5 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -12.7 | -177.7 | -53 | 0 | 0 | 0 | 0 | 114.9 | L32 | L32-S34 PolarHBondContact O-N 3.3Š|
| 35 | E | 44.5 | Very low | 40.1 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | trans | -131.5 | 100.9 | 179.7 | -71.3 | -168.6 | 138.8 | 0 | 0 | 110.2 | L32 L37 | L32-E35 PolarHBondContact O-N 3.38Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 HydrophobicContact CB-CD1 4.48Å; E35-L37 PolarHBondContact O-N 2.97Å | ||
| 36 | S | 33.4 | Very low | 39.9 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 90% | 0.902 | 65% | 0.649 | S | S | * | * | trans | -60.1 | 86.7 | 166.2 | 49.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 37 | L | 41.5 | Very low | 39.8 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | trans | -96.6 | 101.7 | 171.6 | -111.6 | 134.3 | 0 | 0 | 0 | 108.1 | E35 F39 | E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 HydrophobicContact CB-CD1 4.48Å; E35-L37 PolarHBondContact O-N 2.97Å; L37-F39 HydrophobicContact CD2-CD2 4.14Å; L37-F39 HydrophobicContact CD2-CE2 4.15Å; L37-F39 PolarHBondContact O-N 3.26Å | ||
| 38 | E | 35 | Very low | 39.6 | Very low | 200 Ų | 200 | 119 Ų | 119 | 94% | 0.935 | 64% | 0.644 | S | S | * | * | trans | -58.8 | 103.5 | 164.8 | -71 | 177.9 | 148.7 | 0 | 0 | 108.2 | ||||
| 39 | F | 37.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 114.4 Ų | 114.4 | 76% | 0.759 | 64% | 0.64 | S | S | * | * | trans | -101.3 | 121.7 | 168.4 | -118.7 | -91.9 | 0 | 0 | 0 | 108.7 | L37 V41 | L37-F39 HydrophobicContact CD2-CD2 4.14Å; L37-F39 HydrophobicContact CD2-CE2 4.15Å; L37-F39 PolarHBondContact O-N 3.26Å; F39-V41 PolarHBondContact O-N 3.09Å | ||
| 40 | D | 37.4 | Very low | 39.2 | Very low | 149 Ų | 149 | 114 Ų | 114 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | trans | -59.5 | 112.7 | 174.1 | -163.7 | 15.8 | 0 | 0 | 0 | 108.9 | V42 | D40-V42 PolarHBondContact O-N 3.37Š| ||
| 41 | V | 36.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | trans | -74.5 | 89.6 | -176.4 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | F39 D43 | F39-V41 PolarHBondContact O-N 3.09Å; V41-D43 PolarHBondContact O-N 3.37Å | ||
| 42 | V | 35.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 65% | 0.648 | 66% | 0.66 | S | S | * | * | trans | -74.4 | 119.8 | 161.7 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | D40 V44 | D40-V42 PolarHBondContact O-N 3.37Å; V42-V44 PolarHBondContact O-N 3.46Å | ||
| 43 | D | 40.3 | Very low | 38.2 | Very low | 96 Ų | 96 | 114.7 Ų | 114.7 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | trans | -58.3 | 90.3 | -179.3 | -112 | -34.4 | 0 | 0 | 0 | 111.6 | V41 V45 D46 | V41-D43 PolarHBondContact O-N 3.37Å; D43-V45 PolarHBondContact O-N 2.79Å; D43-D46 HydrophobicContact CB-CB 4.45Å; D43-D46 PolarHBondContact O-N 3.2Å; D43-D46 VanDerWaalsContact O-N 3.07Å | ||
| 44 | V | 38.5 | Very low | 37.8 | Very low | 88 Ų | 88 | 108.9 Ų | 108.9 | 53% | 0.533 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.1 | -15.4 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | V42 D46 V47 V48 | V42-V44 PolarHBondContact O-N 3.46Å; V44-D46 PolarHBondContact O-N 2.89Å; V44-V47 PolarHBondContact O-N 2.74Å; V44-V48 HydrophobicContact CG1-CG2 4.42Å; V44-V48 WeakPolarHBondContact O-CG2 3.46Å; V44-V48 PolarHBondContact O-N 3.45Å |
| 45 | V | 35.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63 | -32.4 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | D43 A49 | D43-V45 PolarHBondContact O-N 2.79Å; V45-A49 WeakPolarHBondContact O-CB 3.38Å; V45-A49 PolarHBondContact O-N 2.65Å |
| 46 | D | 33.2 | Very low | 37.3 | Very low | 111 Ų | 111 | 105.2 Ų | 105.2 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.7 | -31.4 | 176.2 | -92.5 | -16.2 | 0 | 0 | 0 | 112.9 | D43 V44 V48 A49 A50 | D43-D46 HydrophobicContact CB-CB 4.45Å; D43-D46 PolarHBondContact O-N 3.2Å; D43-D46 VanDerWaalsContact O-N 3.07Å; V44-D46 PolarHBondContact O-N 2.89Å; D46-V48 VanDerWaalsContact C-N 3.34Å; D46-A49 PolarHBondContact O-N 2.98Å; D46-A50 WeakPolarHBondContact O-CB 3.14Å; D46-A50 PolarHBondContact O-N 3.3Å |
| 47 | V | 37.9 | Very low | 37.6 | Very low | 87 Ų | 87 | 102.7 Ų | 102.7 | 53% | 0.527 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70 | -34.9 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | V44 | V44-V47 PolarHBondContact O-N 2.74Å |
| 48 | V | 38.9 | Very low | 37.6 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.467 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -80.1 | -26.8 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V44 D46 A54 | V44-V48 HydrophobicContact CG1-CG2 4.42Å; V44-V48 WeakPolarHBondContact O-CG2 3.46Å; V44-V48 PolarHBondContact O-N 3.45Å; D46-V48 VanDerWaalsContact C-N 3.34Å; V48-A54 HydrophobicContact CB-CB 4.48Å; V48-A54 HydrophobicContact CG1-CB 3.22Å; V48-A54 WeakPolarHBondContact O-CB 3.47Å |
| 49 | A | 33.3 | Very low | 38 | Very low | 71 Ų | 71 | 96.5 Ų | 96.5 | 59% | 0.587 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.4 | -29 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V45 D46 | V45-A49 WeakPolarHBondContact O-CB 3.38Å; V45-A49 PolarHBondContact O-N 2.65Å; D46-A49 PolarHBondContact O-N 2.98Å |
| 50 | A | 39.8 | Very low | 38.1 | Very low | 83 Ų | 83 | 93.7 Ų | 93.7 | 69% | 0.686 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.8 | -28.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D46 | D46-A50 WeakPolarHBondContact O-CB 3.14Å; D46-A50 PolarHBondContact O-N 3.3Å |
| 51 | E | 39.9 | Very low | 38.3 | Very low | 149 Ų | 149 | 87.7 Ų | 87.7 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 20.6 | 179.1 | -70.6 | -157.5 | 155.6 | 0 | 0 | 114.2 | T53 | E51-T53 WeakPolarHBondContact O-CB 3.46Å; E51-T53 WeakPolarHBondContact O-CG2 3.47Å; E51-T53 PolarHBondContact O-N 2.68Å; E51-T53 PolarHBondContact O-OG1 2.98Å |
| 52 | G | 35.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 84.6 Ų | 84.6 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 54.3 | 12.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 53 | T | 38.2 | Very low | 39.5 | Very low | 92 Ų | 92 | 85.7 Ų | 85.7 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | trans | -119.7 | 1.7 | -166.6 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | E51 | E51-T53 WeakPolarHBondContact O-CB 3.46Å; E51-T53 WeakPolarHBondContact O-CG2 3.47Å; E51-T53 PolarHBondContact O-N 2.68Å; E51-T53 PolarHBondContact O-OG1 2.98Å | ||
| 54 | A | 36.1 | Very low | 39.7 | Very low | 41 Ų | 41 | 86.1 Ų | 86.1 | 34% | 0.339 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1 | -161.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | V48 | V48-A54 HydrophobicContact CB-CB 4.48Å; V48-A54 HydrophobicContact CG1-CB 3.22Å; V48-A54 WeakPolarHBondContact O-CB 3.47Å |
| 55 | P | 42.5 | Very low | 40.1 | Very low | 100 Ų | 100 | 84.4 Ų | 84.4 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -27.7 | 166.9 | 15 | -1.4 | 0 | 0 | 0 | 113.9 | ||
| 56 | A | 36.7 | Very low | 40.5 | Very low | 62 Ų | 62 | 83.5 Ų | 83.5 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.3 | -30.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V58 D59 L60 | A56-V58 VanDerWaalsContact C-N 3.29Å; A56-V58 PolarHBondContact O-N 3.45Å; A56-D59 PolarHBondContact O-N 3.21Å; A56-L60 WeakPolarHBondContact O-CD1 3.36Å; A56-L60 PolarHBondContact O-N 3.38Å |
| 57 | V | 40.9 | Very low | 40.8 | Very low | 76 Ų | 76 | 81.5 Ų | 81.5 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.9 | -27.8 | -179.5 | -175 | 0 | 0 | 0 | 0 | 111.3 | A61 | V57-A61 WeakPolarHBondContact O-CB 3.42Å; V57-A61 PolarHBondContact O-N 3.13Å |
| 58 | V | 41.4 | Very low | 41.1 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.3 | -25.2 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | A56 R66 | A56-V58 VanDerWaalsContact C-N 3.29Å; A56-V58 PolarHBondContact O-N 3.45Å; V58-R66 PolarHBondContact O-NE 2.96Å; V58-R66 PolarHBondContact O-NH2 3.42Å |
| 59 | D | 42 | Very low | 41.5 | Very low | 117 Ų | 117 | 80.2 Ų | 80.2 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -81.9 | -27.9 | 175.3 | -113.5 | -26 | 0 | 0 | 0 | 113.6 | A56 R66 | A56-D59 PolarHBondContact O-N 3.21Å; D59-R66 IonicContact OD1-CZ 3.51Å; D59-R66 IonicContact OD1-NH1 3.87Å; D59-R66 IonicContact OD1-NH2 2.6Å; D59-R66 PolarHBondContact OD1-NH2 2.85Å |
| 60 | L | 40.1 | Very low | 41.9 | Very low | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -93.5 | -6.3 | 176.7 | -89.1 | 105.3 | 0 | 0 | 0 | 114.6 | A56 | A56-L60 WeakPolarHBondContact O-CD1 3.36Å; A56-L60 PolarHBondContact O-N 3.38Å |
| 61 | A | 42.7 | Very low | 42 | Very low | 23 Ų | 23 | 79.1 Ų | 79.1 | 19% | 0.19 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -70.1 | 135.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V57 F65 | V57-A61 WeakPolarHBondContact O-CB 3.42Å; V57-A61 PolarHBondContact O-N 3.13Å; A61-F65 HydrophobicContact CB-CB 3.93Å |
| 62 | P | 48.1 | Very low | 42.2 | Very low | 38 Ų | 38 | 74 Ų | 74 | 25% | 0.247 | 44% | 0.441 | C | S | . | . | trans | -50.5 | 144.8 | 172 | -21.3 | 28.3 | 0 | 0 | 0 | 110.5 | I64 F65 R66 F98 | P62-I64 CarbonylContact O-C 3.6Å; P62-I64 PolarHBondContact O-N 3.46Å; P62-F65 HydrophobicContact CB-CD2 4.24Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 HydrophobicContact CG-CE2 4.46Å; P62-F65 WeakPolarHBondContact O-CA 3.27Å; P62-F65 WeakPolarHBondContact O-CB 3.21Å; P62-F65 PolarHBondContact O-N 2.88Å; P62-R66 PolarHBondContact O-N 3.28Å; P62-F98 HydrophobicContact CG-CE1 4.46Å; P62-F98 HydrophobicContact CG-CZ 4.5Å | ||
| 63 | D | 48.8 | Very low | 42.6 | Very low | 131 Ų | 131 | 76.3 Ų | 76.3 | 70% | 0.701 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -49.8 | -27.4 | -178.3 | -71.9 | -38.3 | 0 | 0 | 0 | 113.6 | R66 S67 | D63-R66 PolarHBondContact O-N 2.96Å; D63-S67 VanDerWaalsContact O-CB 3.27Å; D63-S67 WeakPolarHBondContact O-CB 3.29Å; D63-S67 PolarHBondContact O-N 2.86Å |
| 64 | I | 44.5 | Very low | 42.7 | Very low | 105 Ų | 105 | 79.5 Ų | 79.5 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.5 | -59.2 | 169.5 | 0 | 0 | 0 | 111.7 | L11 P62 F68 | L11-I64 HydrophobicContact CD1-CD1 3.79Å; L11-I64 HydrophobicContact CD2-CD1 4.27Å; P62-I64 CarbonylContact O-C 3.6Å; P62-I64 PolarHBondContact O-N 3.46Å; I64-F68 WeakPolarHBondContact O-CB 3.19Å; I64-F68 PolarHBondContact O-N 2.75Å |
| 65 | F | 47.2 | Very low | 43.1 | Very low | 51 Ų | 51 | 85.7 Ų | 85.7 | 22% | 0.224 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -76.2 | -35.3 | 177.1 | -80.3 | -80.9 | 0 | 0 | 0 | 112.2 | L11 I14 A61 P62 F68 L69 | L11-F65 HydrophobicContact CD2-CE2 4.05Å; I14-F65 HydrophobicContact CD1-CZ 4.29Å; I14-F65 HydrophobicContact CG2-CE1 4.5Å; I14-F65 HydrophobicContact CG2-CZ 4.13Å; A61-F65 HydrophobicContact CB-CB 3.93Å; P62-F65 HydrophobicContact CB-CD2 4.24Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 HydrophobicContact CG-CE2 4.46Å; P62-F65 WeakPolarHBondContact O-CA 3.27Å; P62-F65 WeakPolarHBondContact O-CB 3.21Å; P62-F65 PolarHBondContact O-N 2.88Å; F65-F68 PolarHBondContact O-N 3.44Å; F65-L69 WeakPolarHBondContact O-CB 3.37Å; F65-L69 PolarHBondContact O-N 3.4Å |
| 66 | R | 43 | Very low | 43.3 | Very low | 90 Ų | 90 | 83.4 Ų | 83.4 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 169.6 | -89.4 | -177 | 159.5 | -165.2 | -13.5 | 111 | V58 D59 P62 D63 F68 L69 T70 | V58-R66 PolarHBondContact O-NE 2.96Å; V58-R66 PolarHBondContact O-NH2 3.42Å; D59-R66 IonicContact OD1-CZ 3.51Å; D59-R66 IonicContact OD1-NH1 3.87Å; D59-R66 IonicContact OD1-NH2 2.6Å; D59-R66 PolarHBondContact OD1-NH2 2.85Å; P62-R66 PolarHBondContact O-N 3.28Å; D63-R66 PolarHBondContact O-N 2.96Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 2.8Å; R66-L69 PolarHBondContact O-N 2.85Å; R66-T70 WeakPolarHBondContact O-CB 3.32Å; R66-T70 PolarHBondContact O-N 2.97Å; R66-T70 PolarHBondContact O-OG1 3.19Å |
| 67 | S | 39.7 | Very low | 43.6 | Very low | 69 Ų | 69 | 87.6 Ų | 87.6 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | D63 T71 | D63-S67 VanDerWaalsContact O-CB 3.27Å; D63-S67 WeakPolarHBondContact O-CB 3.29Å; D63-S67 PolarHBondContact O-N 2.86Å; S67-T71 WeakPolarHBondContact O-CB 3.3Å; S67-T71 PolarHBondContact O-N 2.8Å; S67-T71 PolarHBondContact O-OG1 3.43Å |
| 68 | F | 44.2 | Very low | 43.6 | Very low | 58 Ų | 58 | 93.2 Ų | 93.2 | 25% | 0.254 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 177.3 | -163.3 | -95.9 | 0 | 0 | 0 | 113.1 | F18 I22 I64 F65 R66 T71 Q72 | F18-F68 HydrophobicContact CB-CE2 4.28Å; F18-F68 HydrophobicContact CB-CZ 4.08Å; F18-F68 AromaticContact CD1-CE1 3.69Å; F18-F68 HydrophobicContact CD1-CE1 3.69Å; F18-F68 HydrophobicContact CD1-CE2 4.28Å; F18-F68 AromaticContact CD1-CZ 3.34Å; F18-F68 HydrophobicContact CD1-CZ 3.34Å; F18-F68 HydrophobicContact CD2-CZ 4.42Å; F18-F68 AromaticContact CE1-CE1 3.58Å; F18-F68 HydrophobicContact CE1-CE1 3.58Å; F18-F68 AromaticContact CE1-CZ 3.76Å; F18-F68 HydrophobicContact CE1-CZ 3.76Å; F18-F68 HydrophobicContact CG-CE1 4.31Å; F18-F68 HydrophobicContact CG-CE2 4.24Å; F18-F68 AromaticContact CG-CZ 3.72Å; F18-F68 HydrophobicContact CG-CZ 3.72Å; F18-F68 HydrophobicContact CZ-CE1 4.14Å; F18-F68 HydrophobicContact CZ-CZ 4.49Å; I22-F68 HydrophobicContact CD1-CE2 4.23Å; I22-F68 HydrophobicContact CD1-CZ 4.07Å; I64-F68 WeakPolarHBondContact O-CB 3.19Å; I64-F68 PolarHBondContact O-N 2.75Å; F65-F68 PolarHBondContact O-N 3.44Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 2.8Å; F68-T71 PolarHBondContact O-N 3.44Å; F68-Q72 VanDerWaalsContact CE1-OE1 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.5Å; F68-Q72 PolarHBondContact O-N 2.58Å; F68-Q72 VanDerWaalsContact O-N 3.12Å |
| 69 | L | 45.9 | Very low | 43.5 | Very low | 79 Ų | 79 | 94.8 Ų | 94.8 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.7 | -85.2 | 156.7 | 0 | 0 | 0 | 111.7 | F65 R66 L73 | F65-L69 WeakPolarHBondContact O-CB 3.37Å; F65-L69 PolarHBondContact O-N 3.4Å; R66-L69 PolarHBondContact O-N 2.85Å; L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 WeakPolarHBondContact O-CD1 3.36Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.15Å; L69-L73 PolarHBondContact O-N 2.89Å; L69-L73 VanDerWaalsContact O-N 3.09Å |
| 70 | T | 43.3 | Very low | 43.4 | Very low | 65 Ų | 65 | 94 Ų | 94 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | -179.5 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | R66 Q72 L73 F74 | R66-T70 WeakPolarHBondContact O-CB 3.32Å; R66-T70 PolarHBondContact O-N 2.97Å; R66-T70 PolarHBondContact O-OG1 3.19Å; T70-Q72 VanDerWaalsContact C-N 3.32Å; T70-Q72 PolarHBondContact O-N 2.79Å; T70-L73 PolarHBondContact O-N 3.43Å; T70-F74 HydrophobicContact CG2-CD2 3.57Å; T70-F74 HydrophobicContact CG2-CE2 3.4Å; T70-F74 VanDerWaalsContact CG2-CE2 3.4Å; T70-F74 WeakPolarHBondContact O-CD2 3.47Å; T70-F74 PolarHBondContact O-N 3.49Å |
| 71 | T | 41.9 | Very low | 43.4 | Very low | 65 Ų | 65 | 91.8 Ų | 91.8 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | -177.8 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | S67 F68 F74 F75 | S67-T71 WeakPolarHBondContact O-CB 3.3Å; S67-T71 PolarHBondContact O-N 2.8Å; S67-T71 PolarHBondContact O-OG1 3.43Å; F68-T71 PolarHBondContact O-N 3.44Å; T71-F74 PolarHBondContact O-N 2.69Å; T71-F75 HydrophobicContact CG2-CD2 3.81Å; T71-F75 HydrophobicContact CG2-CE2 3.53Å; T71-F75 WeakPolarHBondContact O-CD2 3.45Å; T71-F75 PolarHBondContact O-N 2.83Å |
| 72 | Q | 44.1 | Very low | 43.3 | Very low | 43 Ų | 43 | 95.8 Ų | 95.8 | 20% | 0.201 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.4 | -72.2 | -176.7 | -33.1 | 0 | 0 | 112.3 | F68 T70 F74 F75 D76 I83 | F68-Q72 VanDerWaalsContact CE1-OE1 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.5Å; F68-Q72 PolarHBondContact O-N 2.58Å; F68-Q72 VanDerWaalsContact O-N 3.12Å; T70-Q72 VanDerWaalsContact C-N 3.32Å; T70-Q72 PolarHBondContact O-N 2.79Å; Q72-F74 VanDerWaalsContact C-N 3.26Å; Q72-F74 PolarHBondContact O-N 2.68Å; Q72-F75 PolarHBondContact O-N 3.33Å; Q72-D76 PolarHBondContact O-N 3.35Å; Q72-I83 HydrophobicContact CB-CD1 3.78Å; Q72-I83 HydrophobicContact CG-CD1 3.97Å |
| 73 | L | 43.9 | Very low | 43 | Very low | 118 Ų | 118 | 97.1 Ų | 97.1 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -30.9 | 175.3 | -75.2 | 163.3 | 0 | 0 | 0 | 113.4 | L69 T70 | L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 WeakPolarHBondContact O-CD1 3.36Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.15Å; L69-L73 PolarHBondContact O-N 2.89Å; L69-L73 VanDerWaalsContact O-N 3.09Å; T70-L73 PolarHBondContact O-N 3.43Å |
| 74 | F | 40.6 | Very low | 42.5 | Very low | 160 Ų | 160 | 96.4 Ų | 96.4 | 70% | 0.702 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.1 | -20.9 | -179.7 | -88.7 | -100.9 | 0 | 0 | 0 | 114.1 | T70 T71 Q72 | T70-F74 HydrophobicContact CG2-CD2 3.57Å; T70-F74 HydrophobicContact CG2-CE2 3.4Å; T70-F74 VanDerWaalsContact CG2-CE2 3.4Å; T70-F74 WeakPolarHBondContact O-CD2 3.47Å; T70-F74 PolarHBondContact O-N 3.49Å; T71-F74 PolarHBondContact O-N 2.69Å; Q72-F74 VanDerWaalsContact C-N 3.26Å; Q72-F74 PolarHBondContact O-N 2.68Å |
| 75 | F | 44.7 | Very low | 42.7 | Very low | 171 Ų | 171 | 93.7 Ų | 93.7 | 75% | 0.75 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -91 | -17.5 | 175.7 | -77 | -68.6 | 0 | 0 | 0 | 113.8 | T71 Q72 | T71-F75 HydrophobicContact CG2-CD2 3.81Å; T71-F75 HydrophobicContact CG2-CE2 3.53Å; T71-F75 WeakPolarHBondContact O-CD2 3.45Å; T71-F75 PolarHBondContact O-N 2.83Å; Q72-F75 PolarHBondContact O-N 3.33Å |
| 76 | D | 45 | Very low | 42.4 | Very low | 51 Ų | 51 | 99.3 Ų | 99.3 | 27% | 0.273 | 52% | 0.518 | S | S | . | . | trans | -105.9 | 16 | -173.2 | -84 | -33 | 0 | 0 | 0 | 115.7 | Q72 Q78 I79 V81 | Q72-D76 PolarHBondContact O-N 3.35Å; D76-Q78 PolarHBondContact O-N 2.96Å; D76-I79 CarbonylContact O-C 3.59Å; D76-I79 PolarHBondContact O-N 3.01Å; D76-V81 HydrophobicContact CB-CB 4.47Å; D76-V81 HydrophobicContact CB-CG2 4.27Å; D76-V81 WeakPolarHBondContact OD1-CG2 3.4Å; D76-V81 WeakPolarHBondContact OD2-CB 3.48Å; D76-V81 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 77 | N | 44.4 | Very low | 42.7 | Very low | 151 Ų | 151 | 98.5 Ų | 98.5 | 81% | 0.807 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 12.7 | 176 | -106.6 | 2.6 | 0 | 0 | 0 | 115.4 | ||
| 78 | Q | 40.2 | Very low | 43.1 | Very low | 193 Ų | 193 | 98.2 Ų | 98.2 | 90% | 0.902 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | -4.4 | 171.7 | -65.2 | -169.5 | 42.1 | 0 | 0 | 114.1 | D76 | D76-Q78 PolarHBondContact O-N 2.96Š|
| 79 | I | 38.9 | Very low | 43.3 | Very low | 98 Ų | 98 | 99.5 Ų | 99.5 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -145.1 | 124.4 | -178.8 | -55 | 177.2 | 0 | 0 | 0 | 107.6 | D76 V81 | D76-I79 CarbonylContact O-C 3.59Å; D76-I79 PolarHBondContact O-N 3.01Å; I79-V81 HydrophobicContact CB-CG2 4.2Å; I79-V81 HydrophobicContact CG2-CG2 3.93Å; I79-V81 PolarHBondContact O-N 3.4Å |
| 80 | P | 40.8 | Very low | 43.4 | Very low | 101 Ų | 101 | 99.9 Ų | 99.9 | 66% | 0.656 | 54% | 0.539 | S | S | * | . | trans | -69.2 | 81.8 | 170.4 | 30 | -32.3 | 0 | 0 | 0 | 108.2 | V82 | P80-V82 VanDerWaalsContact C-N 3.28Å; P80-V82 PolarHBondContact O-N 3.23Å | ||
| 81 | V | 39.5 | Very low | 43.8 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -71.6 | 98.3 | 170.6 | -178 | 0 | 0 | 0 | 0 | 105.6 | D76 I79 I83 | D76-V81 HydrophobicContact CB-CB 4.47Å; D76-V81 HydrophobicContact CB-CG2 4.27Å; D76-V81 WeakPolarHBondContact OD1-CG2 3.4Å; D76-V81 WeakPolarHBondContact OD2-CB 3.48Å; D76-V81 WeakPolarHBondContact OD2-CG2 3.42Å; I79-V81 HydrophobicContact CB-CG2 4.2Å; I79-V81 HydrophobicContact CG2-CG2 3.93Å; I79-V81 PolarHBondContact O-N 3.4Å; V81-I83 HydrophobicContact CB-CG1 4.24Å; V81-I83 HydrophobicContact CG1-CD1 4.44Å; V81-I83 HydrophobicContact CG1-CG1 3.51Å; V81-I83 PolarHBondContact O-N 3.29Å | ||
| 82 | V | 41.2 | Very low | 44.5 | Very low | 106 Ų | 106 | 99.2 Ų | 99.2 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | trans | -59.1 | 86 | 156.8 | -173 | 0 | 0 | 0 | 0 | 105.4 | P80 V84 | P80-V82 VanDerWaalsContact C-N 3.28Å; P80-V82 PolarHBondContact O-N 3.23Å; V82-V84 HydrophobicContact CG1-CG2 3.52Å; V82-V84 PolarHBondContact O-N 3.41Å | ||
| 83 | I | 40.2 | Very low | 44.9 | Very low | 67 Ų | 67 | 102.5 Ų | 102.5 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | trans | -72.2 | 79.6 | 163.2 | -47.2 | 179.5 | 0 | 0 | 0 | 104 | Q72 V81 V85 | Q72-I83 HydrophobicContact CB-CD1 3.78Å; Q72-I83 HydrophobicContact CG-CD1 3.97Å; V81-I83 HydrophobicContact CB-CG1 4.24Å; V81-I83 HydrophobicContact CG1-CD1 4.44Å; V81-I83 HydrophobicContact CG1-CG1 3.51Å; V81-I83 PolarHBondContact O-N 3.29Å; I83-V85 HydrophobicContact CB-CG2 4.26Å; I83-V85 HydrophobicContact CG2-CB 4.3Å; I83-V85 HydrophobicContact CG2-CG2 3.29Å; I83-V85 PolarHBondContact O-N 3.23Å | ||
| 84 | V | 40.1 | Very low | 45.5 | Very low | 115 Ų | 115 | 100.1 Ų | 100.1 | 70% | 0.697 | 54% | 0.54 | S | S | * | . | trans | -61.8 | 82.5 | 148.2 | -174.2 | 0 | 0 | 0 | 0 | 103 | V82 E86 | V82-V84 HydrophobicContact CG1-CG2 3.52Å; V82-V84 PolarHBondContact O-N 3.41Å; V84-E86 PolarHBondContact O-N 3.07Å | ||
| 85 | V | 46.9 | Very low | 46.3 | Very low | 48 Ų | 48 | 96 Ų | 96 | 29% | 0.291 | 52% | 0.524 | S | S | . | . | trans | -59.6 | 105 | 158.8 | -171.7 | 0 | 0 | 0 | 0 | 101.1 | F18 I83 I87 | F18-V85 HydrophobicContact CE1-CG1 3.47Å; F18-V85 VanDerWaalsContact CE1-CG1 3.47Å; F18-V85 HydrophobicContact CE1-CG2 4.28Å; F18-V85 HydrophobicContact CZ-CG1 3.86Å; I83-V85 HydrophobicContact CB-CG2 4.26Å; I83-V85 HydrophobicContact CG2-CB 4.3Å; I83-V85 HydrophobicContact CG2-CG2 3.29Å; I83-V85 PolarHBondContact O-N 3.23Å; V85-I87 HydrophobicContact CB-CD1 4.09Å; V85-I87 HydrophobicContact CB-CG1 3.49Å; V85-I87 VanDerWaalsContact CB-CG1 3.49Å; V85-I87 HydrophobicContact CG1-CB 4.24Å; V85-I87 HydrophobicContact CG1-CD1 4.06Å; V85-I87 HydrophobicContact CG1-CG1 3.15Å; V85-I87 PolarHBondContact O-N 3.18Å | ||
| 86 | E | 41.2 | Very low | 46.6 | Very low | 170 Ų | 170 | 89.7 Ų | 89.7 | 79% | 0.794 | 50% | 0.502 | S | S | * | . | trans | -64.1 | 70.6 | 160.1 | -161.8 | -174.6 | -171.4 | 0 | 0 | 104.4 | V84 S88 | V84-E86 PolarHBondContact O-N 3.07Å; E86-S88 PolarHBondContact O-N 2.77Å | ||
| 87 | I | 49.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | trans | -66 | 93.5 | 169.5 | -60.8 | -179.3 | 0 | 0 | 0 | 100.4 | V85 S89 L91 V92 | V85-I87 HydrophobicContact CB-CD1 4.09Å; V85-I87 HydrophobicContact CB-CG1 3.49Å; V85-I87 VanDerWaalsContact CB-CG1 3.49Å; V85-I87 HydrophobicContact CG1-CB 4.24Å; V85-I87 HydrophobicContact CG1-CD1 4.06Å; V85-I87 HydrophobicContact CG1-CG1 3.15Å; V85-I87 PolarHBondContact O-N 3.18Å; I87-S89 PolarHBondContact O-N 3.4Å; I87-L91 HydrophobicContact CB-CB 4.47Å; I87-L91 HydrophobicContact CG2-CB 3.2Å; I87-L91 HydrophobicContact CG2-CD1 4.19Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; I87-V92 HydrophobicContact CB-CG2 3.9Å; I87-V92 HydrophobicContact CG2-CB 4.37Å; I87-V92 HydrophobicContact CG2-CG2 3.4Å | ||
| 88 | S | 49.4 | Very low | 47.7 | Very low | 63 Ų | 63 | 85.3 Ų | 85.3 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | trans | -37.6 | 131.8 | 169.9 | 175.5 | 0 | 0 | 0 | 0 | 106.7 | E86 T90 L91 V92 | E86-S88 PolarHBondContact O-N 2.77Å; S88-T90 CarbonylContact O-C 3.48Å; S88-T90 PolarHBondContact O-N 3.3Å; S88-T90 PolarHBondContact OG-OG1 2.81Å; S88-L91 WeakPolarHBondContact O-CB 3.31Å; S88-L91 PolarHBondContact O-N 2.6Å; S88-V92 PolarHBondContact O-N 3.43Å | ||
| 89 | S | 47.4 | Very low | 48.4 | Very low | 86 Ų | 86 | 79.1 Ų | 79.1 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -46 | -28.1 | -176.7 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | I87 V92 L93 | I87-S89 PolarHBondContact O-N 3.4Å; S89-V92 PolarHBondContact O-N 2.77Å; S89-L93 VanDerWaalsContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CB 3.44Å; S89-L93 WeakPolarHBondContact O-CD1 3.33Å; S89-L93 WeakPolarHBondContact O-CG 3.26Å; S89-L93 PolarHBondContact O-N 3.41Å |
| 90 | T | 48.5 | Very low | 49.2 | Very low | 86 Ų | 86 | 84.1 Ų | 84.1 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.6 | -45 | 169.8 | -40.3 | 0 | 0 | 0 | 0 | 114.6 | S88 L93 L94 | S88-T90 CarbonylContact O-C 3.48Å; S88-T90 PolarHBondContact O-N 3.3Å; S88-T90 PolarHBondContact OG-OG1 2.81Å; T90-L93 PolarHBondContact O-N 2.82Å; T90-L94 WeakPolarHBondContact O-CB 3.19Å; T90-L94 PolarHBondContact O-N 3.41Å |
| 91 | L | 51.8 | Low | 49.7 | Very low | 37 Ų | 37 | 86.2 Ų | 86.2 | 19% | 0.194 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | 177.8 | -79.1 | 173.9 | 0 | 0 | 0 | 112.4 | I14 I87 S88 L93 L94 L95 | I14-L91 HydrophobicContact CB-CD2 4.42Å; I14-L91 HydrophobicContact CD1-CD2 4.23Å; I14-L91 HydrophobicContact CG1-CD2 3.47Å; I14-L91 VanDerWaalsContact CG1-CD2 3.47Å; I14-L91 HydrophobicContact CG2-CD2 4.48Å; I87-L91 HydrophobicContact CB-CB 4.47Å; I87-L91 HydrophobicContact CG2-CB 3.2Å; I87-L91 HydrophobicContact CG2-CD1 4.19Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; S88-L91 WeakPolarHBondContact O-CB 3.31Å; S88-L91 PolarHBondContact O-N 2.6Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-L95 VanDerWaalsContact O-CB 3.3Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.46Å |
| 92 | V | 55.8 | Low | 50 | Low | 80 Ų | 80 | 87.6 Ų | 87.6 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | I87 S88 S89 L94 L95 S96 | I87-V92 HydrophobicContact CB-CG2 3.9Å; I87-V92 HydrophobicContact CG2-CB 4.37Å; I87-V92 HydrophobicContact CG2-CG2 3.4Å; S88-V92 PolarHBondContact O-N 3.43Å; S89-V92 PolarHBondContact O-N 2.77Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.46Å; V92-L95 PolarHBondContact O-N 2.84Å; V92-S96 WeakPolarHBondContact O-CB 3.21Å; V92-S96 PolarHBondContact O-N 3.18Å; V92-S96 PolarHBondContact O-OG 3.3Å |
| 93 | L | 52.7 | Low | 50 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 175.9 | -73.9 | 170.1 | 0 | 0 | 0 | 111.4 | S89 T90 L91 S96 A97 | S89-L93 VanDerWaalsContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CB 3.44Å; S89-L93 WeakPolarHBondContact O-CD1 3.33Å; S89-L93 WeakPolarHBondContact O-CG 3.26Å; S89-L93 PolarHBondContact O-N 3.41Å; T90-L93 PolarHBondContact O-N 2.82Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L93-S96 WeakPolarHBondContact CA-OG 3.19Å; L93-S96 PolarHBondContact O-N 2.95Å; L93-S96 PolarHBondContact O-OG 3.35Å; L93-A97 VanDerWaalsContact O-CB 3.31Å; L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 3.46Å |
| 94 | L | 56.9 | Low | 50.1 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -38.8 | -179.8 | -157.9 | 144.4 | 0 | 0 | 0 | 111.6 | T10 T90 L91 V92 A97 F98 | T10-L94 HydrophobicContact CG2-CD1 3.96Å; T10-L94 HydrophobicContact CG2-CD2 3.3Å; T10-L94 HydrophobicContact CG2-CG 4.28Å; T90-L94 WeakPolarHBondContact O-CB 3.19Å; T90-L94 PolarHBondContact O-N 3.41Å; L91-L94 PolarHBondContact O-N 2.86Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.46Å; L94-A97 PolarHBondContact O-N 2.89Å; L94-F98 VanDerWaalsContact O-CB 3.26Å; L94-F98 WeakPolarHBondContact O-CB 3.44Å; L94-F98 PolarHBondContact O-N 3.28Å |
| 95 | L | 57.8 | Low | 50.6 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 170.7 | -173.1 | 68.7 | 0 | 0 | 0 | 111.1 | L91 V92 F98 L99 | L91-L95 VanDerWaalsContact O-CB 3.3Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 3.46Å; V92-L95 PolarHBondContact O-N 2.84Å; L95-F98 WeakPolarHBondContact O-CB 3.31Å; L95-F98 PolarHBondContact O-N 2.97Å; L95-L99 HydrophobicContact CG-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 2.72Å |
| 96 | S | 51.3 | Low | 50.8 | Low | 39 Ų | 39 | 94.4 Ų | 94.4 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | V92 L93 R100 | V92-S96 WeakPolarHBondContact O-CB 3.21Å; V92-S96 PolarHBondContact O-N 3.18Å; V92-S96 PolarHBondContact O-OG 3.3Å; L93-S96 WeakPolarHBondContact CA-OG 3.19Å; L93-S96 PolarHBondContact O-N 2.95Å; L93-S96 PolarHBondContact O-OG 3.35Å; S96-R100 WeakPolarHBondContact O-CB 3.37Å; S96-R100 VanDerWaalsContact O-CG 3.31Å; S96-R100 WeakPolarHBondContact O-CG 3.35Å; S96-R100 PolarHBondContact O-N 3.44Å |
| 97 | A | 53.8 | Low | 51.3 | Low | 45 Ų | 45 | 90.2 Ų | 90.2 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.1 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L93 L94 N101 | L93-A97 VanDerWaalsContact O-CB 3.31Å; L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 3.46Å; L94-A97 PolarHBondContact O-N 2.89Å; A97-N101 PolarHBondContact O-N 3.36Å; A97-N101 PolarHBondContact O-ND2 2.7Å |
| 98 | F | 57.4 | Low | 51.4 | Low | 64 Ų | 64 | 91.3 Ų | 91.3 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 173 | -180 | -103.3 | 0 | 0 | 0 | 111.3 | M7 P62 L94 L95 R100 N101 L102 | M7-F98 HydrophobicContact SD-CE2 4.1Å; P62-F98 HydrophobicContact CG-CE1 4.46Å; P62-F98 HydrophobicContact CG-CZ 4.5Å; L94-F98 VanDerWaalsContact O-CB 3.26Å; L94-F98 WeakPolarHBondContact O-CB 3.44Å; L94-F98 PolarHBondContact O-N 3.28Å; L95-F98 WeakPolarHBondContact O-CB 3.31Å; L95-F98 PolarHBondContact O-N 2.97Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.02Å; F98-N101 PolarHBondContact O-N 3.24Å; F98-L102 HydrophobicContact CD1-CD1 3.67Å; F98-L102 HydrophobicContact CD2-CD1 4.05Å; F98-L102 HydrophobicContact CE1-CD1 3.12Å; F98-L102 HydrophobicContact CE2-CD1 3.56Å; F98-L102 HydrophobicContact CG-CD1 4.12Å; F98-L102 HydrophobicContact CZ-CD1 3.07Å; F98-L102 PolarHBondContact O-N 3.17Å |
| 99 | L | 55.8 | Low | 51.5 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 175.4 | -71.1 | 172.2 | 0 | 0 | 0 | 111.8 | L95 N101 L102 V103 | L95-L99 HydrophobicContact CG-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 2.72Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.35Å; L99-L102 PolarHBondContact O-N 3.38Å; L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 3.07Å |
| 100 | R | 54.6 | Low | 51.8 | Low | 203 Ų | 203 | 93.5 Ų | 93.5 | 77% | 0.766 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -24.5 | 174 | -77.5 | -178.7 | -153.2 | -136.7 | 3.9 | 114.6 | S96 F98 | S96-R100 WeakPolarHBondContact O-CB 3.37Å; S96-R100 VanDerWaalsContact O-CG 3.31Å; S96-R100 WeakPolarHBondContact O-CG 3.35Å; S96-R100 PolarHBondContact O-N 3.44Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.02Å |
| 101 | N | 51.9 | Low | 52.1 | Low | 145 Ų | 145 | 94.1 Ų | 94.1 | 78% | 0.775 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -92.6 | -14 | 177.4 | -82.6 | -70.2 | 0 | 0 | 0 | 113.3 | A97 F98 L99 | A97-N101 PolarHBondContact O-N 3.36Å; A97-N101 PolarHBondContact O-ND2 2.7Å; F98-N101 PolarHBondContact O-N 3.24Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.35Å |
| 102 | L | 46.6 | Very low | 52.1 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -93.4 | -21.7 | 178.1 | -108.1 | 141.8 | 0 | 0 | 0 | 113.4 | F98 L99 | F98-L102 HydrophobicContact CD1-CD1 3.67Å; F98-L102 HydrophobicContact CD2-CD1 4.05Å; F98-L102 HydrophobicContact CE1-CD1 3.12Å; F98-L102 HydrophobicContact CE2-CD1 3.56Å; F98-L102 HydrophobicContact CG-CD1 4.12Å; F98-L102 HydrophobicContact CZ-CD1 3.07Å; F98-L102 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 3.38Å |
| 103 | V | 40.3 | Very low | 51.8 | Low | 100 Ų | 100 | 100 Ų | 100 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | trans | -87.1 | 118.4 | 167.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | L99 | L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 3.07Å | ||
| 104 | P | 42.2 | Very low | 51.7 | Low | 191 Ų | 191 | 98.9 Ų | 98.9 | 100% | 1.24 | 54% | 0.535 | S | S | * | . | trans | -65 | 0 | 176.6 | 27.8 | -34.3 | 0 | 0 | 0 | 113.2 |
Retrieved 104 of 104 residues in 71.1 ms
(Link to these results)