| 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 | 74.1 | Confident | 93.3 | Very high | 125 Ų | 125 | 83.4 Ų | 83.4 | 62% | 0.616 | 42% | 0.415 | S | S | * | . | 0 | -61.9 | 0 | -66.5 | 173.7 | 177.5 | 0 | 0 | 111.1 | R3 F4 L5 Y127 V130 | M1-R3 PolarHBondContact O-N 3.39Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-L5 PolarHBondContact O-N 3.32Å; M1-Y127 HydrophobicContact CG-CD1 4.25Å; M1-V130 HydrophobicContact CE-CG1 4.07Å | |||
| 2 | S | 84 | Confident | 93.7 | Very high | 87 Ų | 87 | 76.4 Ų | 76.4 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55.8 | -42 | 180 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | F4 L5 N6 | S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact O-N 3.15Å; S2-L5 PolarHBondContact O-N 3.15Å; S2-N6 WeakPolarHBondContact O-CB 3.44Å; S2-N6 PolarHBondContact O-N 2.98Å; S2-N6 PolarHBondContact O-ND2 3.31Å |
| 3 | R | 92.6 | Very high | 94.1 | Very high | 206 Ų | 206 | 75.4 Ų | 75.4 | 78% | 0.777 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.7 | -42.8 | 179.7 | -167.1 | -177.1 | -64.5 | 169 | -0.5 | 112.9 | M1 N6 V7 | M1-R3 PolarHBondContact O-N 3.39Å; R3-N6 PolarHBondContact O-N 2.71Å; R3-V7 WeakPolarHBondContact O-CG2 3.37Å; R3-V7 PolarHBondContact O-N 3.08Å |
| 4 | F | 94.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 76.2 Ų | 76.2 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 178.8 | 178.8 | -88.9 | 0 | 0 | 0 | 111.2 | M1 S2 N6 V7 L8 G120 V123 Y127 | M1-F4 PolarHBondContact O-N 3.18Å; S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact O-N 3.15Å; F4-N6 PolarHBondContact O-N 3.26Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.16Å; F4-L8 HydrophobicContact CE1-CD2 4.36Å; F4-L8 PolarHBondContact O-N 3.46Å; F4-G120 WeakPolarHBondContact CE1-O 3.49Å; F4-G120 WeakPolarHBondContact CZ-O 3.23Å; F4-V123 HydrophobicContact CE1-CB 4.29Å; F4-V123 HydrophobicContact CE1-CG1 4.02Å; F4-V123 HydrophobicContact CE2-CG1 3.97Å; F4-V123 HydrophobicContact CZ-CB 3.82Å; F4-V123 HydrophobicContact CZ-CG1 3.62Å; F4-Y127 HydrophobicContact CB-CD2 4.27Å; F4-Y127 HydrophobicContact CB-CE2 3.91Å; F4-Y127 AromaticContact CD1-CD2 3.55Å; F4-Y127 HydrophobicContact CD1-CD2 3.55Å; F4-Y127 AromaticContact CD1-CE2 3.53Å; F4-Y127 HydrophobicContact CD1-CE2 3.53Å; F4-Y127 HydrophobicContact CD2-CE2 4.19Å; F4-Y127 HydrophobicContact CE1-CD2 4.16Å; F4-Y127 HydrophobicContact CE1-CE2 4.09Å; F4-Y127 HydrophobicContact CG-CD2 4.03Å; F4-Y127 AromaticContact CG-CE2 3.59Å; F4-Y127 HydrophobicContact CG-CE2 3.59Å |
| 5 | L | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 176.7 | -66.1 | 177.9 | 0 | 0 | 0 | 111.4 | M1 S2 L8 R9 L128 | M1-L5 PolarHBondContact O-N 3.32Å; S2-L5 PolarHBondContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-R9 VanDerWaalsContact O-CG 3.23Å; L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 3.31Å; L5-L128 HydrophobicContact CD1-CD2 3.75Å; L5-L128 HydrophobicContact CD1-CG 4.48Å; L5-L128 HydrophobicContact CD2-CD2 4.27Å; L5-L128 HydrophobicContact CD2-CG 4.22Å |
| 6 | N | 95.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.3 | -69.4 | -15.3 | 0 | 0 | 0 | 112.2 | S2 R3 F4 L8 R9 S10 | S2-N6 WeakPolarHBondContact O-CB 3.44Å; S2-N6 PolarHBondContact O-N 2.98Å; S2-N6 PolarHBondContact O-ND2 3.31Å; R3-N6 PolarHBondContact O-N 2.71Å; F4-N6 PolarHBondContact O-N 3.26Å; N6-L8 VanDerWaalsContact C-N 3.32Å; N6-L8 PolarHBondContact O-N 3.13Å; N6-R9 PolarHBondContact O-N 3.48Å; N6-S10 PolarHBondContact O-N 3.26Å; N6-S10 PolarHBondContact O-OG 2.99Å |
| 7 | V | 97.7 | Very high | 95 | Very high | 94 Ų | 94 | 69 Ų | 69 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 173.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | R3 F4 R9 S10 W11 | R3-V7 WeakPolarHBondContact O-CG2 3.37Å; R3-V7 PolarHBondContact O-N 3.08Å; F4-V7 PolarHBondContact O-N 3.29Å; F4-V7 VanDerWaalsContact O-N 3.16Å; V7-R9 PolarHBondContact O-N 3.38Å; V7-S10 PolarHBondContact O-N 3.3Å; V7-W11 WeakPolarHBondContact O-CB 3.49Å; V7-W11 PolarHBondContact O-N 3.34Å |
| 8 | L | 97.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177 | -176.6 | 62 | 0 | 0 | 0 | 111.8 | F4 L5 N6 W11 L12 I71 Y77 M121 | F4-L8 HydrophobicContact CE1-CD2 4.36Å; F4-L8 PolarHBondContact O-N 3.46Å; L5-L8 PolarHBondContact O-N 3.24Å; N6-L8 VanDerWaalsContact C-N 3.32Å; N6-L8 PolarHBondContact O-N 3.13Å; L8-W11 WeakPolarHBondContact O-CB 3.42Å; L8-W11 PolarHBondContact O-N 2.75Å; L8-L12 HydrophobicContact CD1-CG 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.41Å; L8-I71 HydrophobicContact CD2-CD1 4.45Å; L8-Y77 HydrophobicContact CD2-CE2 4.03Å; L8-Y77 VanDerWaalsContact CD2-OH 3.25Å; L8-Y77 WeakPolarHBondContact CD2-OH 3.21Å; L8-M121 HydrophobicContact CD1-CG 4.07Å; L8-M121 HydrophobicContact CD2-CG 4.3Å |
| 9 | R | 98.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 66.9 Ų | 66.9 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 174 | -72 | 168.5 | 71.4 | 101.8 | 5.8 | 111.1 | L5 N6 V7 W11 L12 V13 A68 I69 I71 | L5-R9 VanDerWaalsContact O-CG 3.23Å; L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 3.31Å; N6-R9 PolarHBondContact O-N 3.48Å; V7-R9 PolarHBondContact O-N 3.38Å; R9-W11 VanDerWaalsContact C-N 3.3Å; R9-W11 PolarHBondContact O-N 3.03Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 2.88Å; R9-A68 WeakPolarHBondContact CG-O 3.4Å; R9-A68 PolarHBondContact NE-O 3.12Å; R9-A68 VanDerWaalsContact NE-O 3.14Å; R9-A68 PolarHBondContact NH1-O 3.09Å; R9-A68 PolarHBondContact NH2-O 3.46Å; R9-I69 PolarHBondContact NH1-O 3.26Å; R9-I69 PolarHBondContact NH2-O 3.33Å; R9-I71 HydrophobicContact CG-CB 3.82Å; R9-I71 HydrophobicContact CG-CD1 4.27Å; R9-I71 HydrophobicContact CG-CG1 3.96Å; R9-I71 HydrophobicContact CG-CG2 4.05Å |
| 10 | S | 97.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 177.6 | -64 | 0 | 0 | 0 | 0 | 111.9 | N6 V7 V13 M14 | N6-S10 PolarHBondContact O-N 3.26Å; N6-S10 PolarHBondContact O-OG 2.99Å; V7-S10 PolarHBondContact O-N 3.3Å; S10-V13 PolarHBondContact O-N 3.48Å; S10-M14 PolarHBondContact O-N 3.06Å |
| 11 | W | 98.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.3 | 172.8 | -97.2 | 0 | 0 | 0 | 112 | V7 L8 R9 V13 M14 V15 V113 F116 S117 | V7-W11 WeakPolarHBondContact O-CB 3.49Å; V7-W11 PolarHBondContact O-N 3.34Å; L8-W11 WeakPolarHBondContact O-CB 3.42Å; L8-W11 PolarHBondContact O-N 2.75Å; R9-W11 VanDerWaalsContact C-N 3.3Å; R9-W11 PolarHBondContact O-N 3.03Å; W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.34Å; W11-M14 HydrophobicContact CD2-CE 4.2Å; W11-M14 HydrophobicContact CE3-CE 3.33Å; W11-M14 HydrophobicContact CH2-CE 4.08Å; W11-M14 HydrophobicContact CZ3-CE 3.27Å; W11-M14 WeakPolarHBondContact O-CB 3.32Å; W11-M14 PolarHBondContact O-N 3.4Å; W11-V15 HydrophobicContact CD2-CG1 4.14Å; W11-V15 HydrophobicContact CH2-CG1 4.29Å; W11-V15 HydrophobicContact CZ2-CG1 3.71Å; W11-V15 WeakPolarHBondContact O-CG2 3.25Å; W11-V15 PolarHBondContact O-N 3.16Å; W11-V113 HydrophobicContact CZ2-CG1 4.21Å; W11-F116 HydrophobicContact CZ2-CB 4.46Å; W11-S117 PolarHBondContact NE1-OG 3.35Å |
| 12 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 178.7 | -71.2 | 178.6 | 0 | 0 | 0 | 112 | L8 R9 V15 S16 A68 I71 T80 F84 M121 | L8-L12 HydrophobicContact CD1-CG 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.41Å; R9-L12 PolarHBondContact O-N 3.45Å; L12-V15 VanDerWaalsContact O-CG2 3.31Å; L12-V15 WeakPolarHBondContact O-CG2 3.5Å; L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 2.82Å; L12-S16 PolarHBondContact O-OG 3.47Å; L12-A68 HydrophobicContact CB-CB 3.83Å; L12-A68 HydrophobicContact CD1-CB 4.49Å; L12-I71 HydrophobicContact CD1-CD1 3.71Å; L12-T80 HydrophobicContact CD2-CG2 4.18Å; L12-F84 HydrophobicContact CD2-CE2 3.61Å; L12-F84 HydrophobicContact CD2-CZ 3.77Å; L12-M121 HydrophobicContact CD2-SD 4.28Å |
| 13 | V | 98.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | R9 S10 W11 V15 S16 I17 A68 | R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 2.88Å; S10-V13 PolarHBondContact O-N 3.48Å; W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.34Å; V13-V15 PolarHBondContact O-N 3.36Å; V13-S16 WeakPolarHBondContact O-CB 3.36Å; V13-S16 PolarHBondContact O-N 2.9Å; V13-S16 VanDerWaalsContact O-N 3.17Å; V13-I17 HydrophobicContact CG1-CD1 3.92Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.29Å; V13-A68 HydrophobicContact CG2-CB 3.7Å |
| 14 | M | 98.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -50.1 | -179.4 | -176.7 | -174.6 | 71.1 | 0 | 0 | 112 | S10 W11 S16 I17 I18 | S10-M14 PolarHBondContact O-N 3.06Å; W11-M14 HydrophobicContact CD2-CE 4.2Å; W11-M14 HydrophobicContact CE3-CE 3.33Å; W11-M14 HydrophobicContact CH2-CE 4.08Å; W11-M14 HydrophobicContact CZ3-CE 3.27Å; W11-M14 WeakPolarHBondContact O-CB 3.32Å; W11-M14 PolarHBondContact O-N 3.4Å; M14-S16 PolarHBondContact O-N 3.29Å; M14-I17 PolarHBondContact O-N 3.05Å; M14-I18 HydrophobicContact CG-CD1 4.2Å; M14-I18 WeakPolarHBondContact O-CG1 3.41Å; M14-I18 PolarHBondContact O-N 3.41Å; M14-I18 VanDerWaalsContact O-N 3.08Å |
| 15 | V | 98.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -25.1 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | W11 L12 V13 A19 F84 V113 | W11-V15 HydrophobicContact CD2-CG1 4.14Å; W11-V15 HydrophobicContact CH2-CG1 4.29Å; W11-V15 HydrophobicContact CZ2-CG1 3.71Å; W11-V15 WeakPolarHBondContact O-CG2 3.25Å; W11-V15 PolarHBondContact O-N 3.16Å; L12-V15 VanDerWaalsContact O-CG2 3.31Å; L12-V15 WeakPolarHBondContact O-CG2 3.5Å; V13-V15 PolarHBondContact O-N 3.36Å; V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.23Å; V15-A19 PolarHBondContact O-N 3.16Å; V15-F84 HydrophobicContact CG2-CE1 4.23Å; V15-F84 HydrophobicContact CG2-CZ 3.92Å; V15-V113 HydrophobicContact CB-CG1 4.29Å; V15-V113 HydrophobicContact CG1-CG1 3.74Å |
| 16 | S | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -44.3 | 172.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | L12 V13 M14 I18 A19 M20 S61 R64 C65 | L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 2.82Å; L12-S16 PolarHBondContact O-OG 3.47Å; V13-S16 WeakPolarHBondContact O-CB 3.36Å; V13-S16 PolarHBondContact O-N 2.9Å; V13-S16 VanDerWaalsContact O-N 3.17Å; M14-S16 PolarHBondContact O-N 3.29Å; S16-I18 PolarHBondContact O-N 3.05Å; S16-A19 PolarHBondContact O-N 3.43Å; S16-M20 WeakPolarHBondContact O-CG 3.48Å; S16-M20 PolarHBondContact O-N 3.49Å; S16-S61 VanDerWaalsContact C-OG 3.3Å; S16-S61 WeakPolarHBondContact CA-OG 3.47Å; S16-S61 WeakPolarHBondContact CB-OG 3.4Å; S16-S61 PolarHBondContact O-OG 3.47Å; S16-S61 PolarHBondContact OG-O 3.4Å; S16-R64 WeakPolarHBondContact OG-CB 3.19Å; S16-C65 PolarHBondContact OG-N 2.91Å |
| 17 | I | 97.9 | Very high | 96.2 | Very high | 100 Ų | 100 | 55 Ų | 55 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.8 | -67.3 | 167.1 | 0 | 0 | 0 | 111 | V13 M14 A19 M20 G21 | V13-I17 HydrophobicContact CG1-CD1 3.92Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.29Å; M14-I17 PolarHBondContact O-N 3.05Å; I17-A19 VanDerWaalsContact C-N 3.31Å; I17-A19 PolarHBondContact O-N 3.28Å; I17-M20 HydrophobicContact CB-CE 4.38Å; I17-M20 HydrophobicContact CG1-CE 3.97Å; I17-M20 PolarHBondContact O-N 3.35Å; I17-G21 PolarHBondContact O-N 3.5Å |
| 18 | I | 96.7 | Very high | 96 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 48% | 0.482 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.7 | -65.2 | 167.6 | 0 | 0 | 0 | 110.5 | M14 S16 M20 G21 N22 | M14-I18 HydrophobicContact CG-CD1 4.2Å; M14-I18 WeakPolarHBondContact O-CG1 3.41Å; M14-I18 PolarHBondContact O-N 3.41Å; M14-I18 VanDerWaalsContact O-N 3.08Å; S16-I18 PolarHBondContact O-N 3.05Å; I18-M20 VanDerWaalsContact C-N 3.34Å; I18-M20 PolarHBondContact O-N 3.08Å; I18-G21 PolarHBondContact O-N 3.45Å; I18-G21 VanDerWaalsContact O-N 3.13Å; I18-N22 PolarHBondContact O-N 3.09Å |
| 19 | A | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V15 S16 I17 G21 N22 T23 T57 | V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.23Å; V15-A19 PolarHBondContact O-N 3.16Å; S16-A19 PolarHBondContact O-N 3.43Å; I17-A19 VanDerWaalsContact C-N 3.31Å; I17-A19 PolarHBondContact O-N 3.28Å; A19-G21 VanDerWaalsContact C-N 3.32Å; A19-G21 PolarHBondContact O-N 3.22Å; A19-N22 PolarHBondContact O-N 2.99Å; A19-T23 PolarHBondContact O-N 3.32Å; A19-T23 PolarHBondContact O-OG1 3.31Å; A19-T57 HydrophobicContact CB-CG2 3.91Å; A19-T57 WeakPolarHBondContact O-CG2 3.3Å |
| 20 | M | 95.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 173.3 | -69.3 | -173 | -74.3 | 0 | 0 | 111.8 | S16 I17 I18 N22 T23 L24 L58 S61 | S16-M20 WeakPolarHBondContact O-CG 3.48Å; S16-M20 PolarHBondContact O-N 3.49Å; I17-M20 HydrophobicContact CB-CE 4.38Å; I17-M20 HydrophobicContact CG1-CE 3.97Å; I17-M20 PolarHBondContact O-N 3.35Å; I18-M20 VanDerWaalsContact C-N 3.34Å; I18-M20 PolarHBondContact O-N 3.08Å; M20-N22 VanDerWaalsContact C-N 3.34Å; M20-N22 PolarHBondContact O-N 2.82Å; M20-T23 WeakPolarHBondContact O-CB 3.23Å; M20-T23 PolarHBondContact O-N 3.14Å; M20-L24 PolarHBondContact O-N 2.97Å; M20-L58 HydrophobicContact CG-CD1 4.3Å; M20-S61 VanDerWaalsContact CG-OG 3.28Å; M20-S61 WeakPolarHBondContact CG-OG 3.36Å |
| 21 | G | 94.5 | Very high | 94.6 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I17 I18 A19 L24 Q25 | I17-G21 PolarHBondContact O-N 3.5Å; I18-G21 PolarHBondContact O-N 3.45Å; I18-G21 VanDerWaalsContact O-N 3.13Å; A19-G21 VanDerWaalsContact C-N 3.32Å; A19-G21 PolarHBondContact O-N 3.22Å; G21-L24 PolarHBondContact O-N 3.29Å; G21-Q25 PolarHBondContact O-N 3.49Å; G21-Q25 PolarHBondContact O-NE2 3.47Å |
| 22 | N | 92 | Very high | 94.1 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175 | -69.9 | -17.4 | 0 | 0 | 0 | 112.1 | I18 A19 M20 L24 Q25 S26 T57 | I18-N22 PolarHBondContact O-N 3.09Å; A19-N22 PolarHBondContact O-N 2.99Å; M20-N22 VanDerWaalsContact C-N 3.34Å; M20-N22 PolarHBondContact O-N 2.82Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 2.91Å; N22-Q25 PolarHBondContact O-N 2.87Å; N22-Q25 PolarHBondContact OD1-NE2 2.88Å; N22-S26 PolarHBondContact O-N 3.3Å; N22-S26 PolarHBondContact O-OG 3.29Å; N22-S26 VanDerWaalsContact O-OG 3.06Å; N22-T57 HydrophobicContact CB-CG2 4.38Å |
| 23 | T | 93 | Very high | 93.7 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.2 | -50.8 | 172.5 | -69.8 | 0 | 0 | 0 | 0 | 111 | A19 M20 Q25 S26 F27 G54 L58 | A19-T23 PolarHBondContact O-N 3.32Å; A19-T23 PolarHBondContact O-OG1 3.31Å; M20-T23 WeakPolarHBondContact O-CB 3.23Å; M20-T23 PolarHBondContact O-N 3.14Å; T23-Q25 VanDerWaalsContact C-N 3.27Å; T23-Q25 PolarHBondContact O-N 3.34Å; T23-S26 WeakPolarHBondContact O-CB 3.38Å; T23-S26 PolarHBondContact O-N 3.47Å; T23-S26 VanDerWaalsContact O-N 3.1Å; T23-F27 HydrophobicContact CG2-CD2 3.88Å; T23-F27 HydrophobicContact CG2-CE2 3.8Å; T23-F27 VanDerWaalsContact O-CD2 3.3Å; T23-F27 WeakPolarHBondContact O-CD2 3.45Å; T23-F27 PolarHBondContact O-N 2.86Å; T23-G54 WeakPolarHBondContact CG2-O 3.22Å; T23-G54 PolarHBondContact OG1-O 2.89Å; T23-L58 HydrophobicContact CG2-CB 3.81Å; T23-L58 HydrophobicContact CG2-CD1 4.31Å; T23-L58 HydrophobicContact CG2-CD2 4.25Å; T23-L58 HydrophobicContact CG2-CG 4.34Å; T23-L58 WeakPolarHBondContact OG1-CA 3.26Å; T23-L58 PolarHBondContact OG1-N 3.01Å; T23-L58 VanDerWaalsContact OG1-N 3.16Å |
| 24 | L | 93.6 | Very high | 93.1 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 55% | 0.55 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -39.5 | -179 | -71.5 | 173.8 | 0 | 0 | 0 | 112.3 | M20 G21 N22 F27 R28 | M20-L24 PolarHBondContact O-N 2.97Å; G21-L24 PolarHBondContact O-N 3.29Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 2.91Å; L24-F27 PolarHBondContact O-N 2.83Å; L24-R28 WeakPolarHBondContact O-CG 3.19Å; L24-R28 PolarHBondContact O-N 2.99Å; L24-R28 VanDerWaalsContact O-N 3.11Å |
| 25 | Q | 92.7 | Very high | 92.7 | Very high | 84 Ų | 84 | 61 Ų | 61 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.4 | -71 | 174.9 | 93.3 | 0 | 0 | 111.2 | G21 N22 T23 F27 R28 D29 F32 | G21-Q25 PolarHBondContact O-N 3.49Å; G21-Q25 PolarHBondContact O-NE2 3.47Å; N22-Q25 PolarHBondContact O-N 2.87Å; N22-Q25 PolarHBondContact OD1-NE2 2.88Å; T23-Q25 VanDerWaalsContact C-N 3.27Å; T23-Q25 PolarHBondContact O-N 3.34Å; Q25-F27 PolarHBondContact O-N 3.45Å; Q25-F27 VanDerWaalsContact O-N 3.14Å; Q25-R28 PolarHBondContact O-N 3.43Å; Q25-R28 VanDerWaalsContact O-N 3.12Å; Q25-D29 PolarHBondContact O-N 2.88Å; Q25-F32 HydrophobicContact CB-CD1 3.86Å; Q25-F32 HydrophobicContact CB-CD2 4.15Å; Q25-F32 HydrophobicContact CB-CE1 4.04Å; Q25-F32 HydrophobicContact CB-CE2 4.32Å; Q25-F32 HydrophobicContact CB-CG 3.92Å; Q25-F32 HydrophobicContact CB-CZ 4.27Å |
| 26 | S | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -24.7 | 178.6 | -52 | 0 | 0 | 0 | 0 | 114.3 | N22 T23 A50 | N22-S26 PolarHBondContact O-N 3.3Å; N22-S26 PolarHBondContact O-OG 3.29Å; N22-S26 VanDerWaalsContact O-OG 3.06Å; T23-S26 WeakPolarHBondContact O-CB 3.38Å; T23-S26 PolarHBondContact O-N 3.47Å; T23-S26 VanDerWaalsContact O-N 3.1Å; S26-A50 WeakPolarHBondContact CB-O 3.38Å |
| 27 | F | 93.5 | Very high | 92.1 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -85.1 | -34.8 | 174.3 | -83.8 | -79.4 | 0 | 0 | 0 | 113.9 | T23 L24 Q25 R51 I55 | T23-F27 HydrophobicContact CG2-CD2 3.88Å; T23-F27 HydrophobicContact CG2-CE2 3.8Å; T23-F27 VanDerWaalsContact O-CD2 3.3Å; T23-F27 WeakPolarHBondContact O-CD2 3.45Å; T23-F27 PolarHBondContact O-N 2.86Å; L24-F27 PolarHBondContact O-N 2.83Å; Q25-F27 PolarHBondContact O-N 3.45Å; Q25-F27 VanDerWaalsContact O-N 3.14Å; F27-R51 HydrophobicContact CD1-CB 4.33Å; F27-R51 HydrophobicContact CD1-CG 3.8Å; F27-R51 HydrophobicContact CE1-CB 3.98Å; F27-R51 HydrophobicContact CE1-CG 3.93Å; F27-R51 HydrophobicContact CZ-CB 4.49Å; F27-I55 HydrophobicContact CE2-CD1 4.07Å; F27-I55 HydrophobicContact CE2-CG1 4.37Å; F27-I55 HydrophobicContact CZ-CD1 3.56Å; F27-I55 HydrophobicContact CZ-CG1 3.76Å |
| 28 | R | 91.9 | Very high | 91.9 | Very high | 218 Ų | 218 | 62.5 Ų | 62.5 | 82% | 0.823 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -79.3 | -41.9 | -178 | -74.9 | -177.9 | 174.7 | 178.7 | -1.1 | 112.2 | L24 Q25 | L24-R28 WeakPolarHBondContact O-CG 3.19Å; L24-R28 PolarHBondContact O-N 2.99Å; L24-R28 VanDerWaalsContact O-N 3.11Å; Q25-R28 PolarHBondContact O-N 3.43Å; Q25-R28 VanDerWaalsContact O-N 3.12Å |
| 29 | D | 90.6 | Very high | 91.7 | Very high | 75 Ų | 75 | 60 Ų | 60 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | trans | -146.7 | 117.4 | -172.9 | -166.6 | -10.3 | 0 | 0 | 0 | 110.5 | Q25 T31 F32 | Q25-D29 PolarHBondContact O-N 2.88Å; D29-T31 VanDerWaalsContact C-N 3.29Å; D29-T31 WeakPolarHBondContact OD1-CB 3.25Å; D29-T31 VanDerWaalsContact OD1-CG2 3.3Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.27Å; D29-T31 PolarHBondContact OD1-OG1 2.98Å; D29-T31 PolarHBondContact OD2-OG1 3.24Å; D29-F32 WeakPolarHBondContact O-CB 3.44Å | ||
| 30 | H | 86.8 | Confident | 91.6 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -77.7 | -19.8 | 179 | 62.7 | -73.5 | 0 | 0 | 0 | 112.2 | F32 L33 A50 | H30-F32 PolarHBondContact O-N 2.59Å; H30-L33 PolarHBondContact O-N 3.14Å; H30-A50 HydrophobicContact CB-CB 3.45Å; H30-A50 VanDerWaalsContact CB-CB 3.45Å |
| 31 | T | 88.4 | Confident | 91.4 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 177.8 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | D29 L33 Y34 E35 | D29-T31 VanDerWaalsContact C-N 3.29Å; D29-T31 WeakPolarHBondContact OD1-CB 3.25Å; D29-T31 VanDerWaalsContact OD1-CG2 3.3Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.27Å; D29-T31 PolarHBondContact OD1-OG1 2.98Å; D29-T31 PolarHBondContact OD2-OG1 3.24Å; T31-L33 PolarHBondContact O-N 3.17Å; T31-Y34 HydrophobicContact CG2-CE1 3.71Å; T31-Y34 PolarHBondContact O-N 3.17Å; T31-Y34 VanDerWaalsContact O-N 3.1Å; T31-E35 WeakPolarHBondContact O-CB 3.11Å; T31-E35 WeakPolarHBondContact O-CG 3.27Å; T31-E35 PolarHBondContact O-N 2.83Å |
| 32 | F | 88.3 | Confident | 91.3 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -43.7 | -43.7 | 173 | 167.8 | -104.2 | 0 | 0 | 0 | 113.2 | Q25 D29 H30 K36 | Q25-F32 HydrophobicContact CB-CD1 3.86Å; Q25-F32 HydrophobicContact CB-CD2 4.15Å; Q25-F32 HydrophobicContact CB-CE1 4.04Å; Q25-F32 HydrophobicContact CB-CE2 4.32Å; Q25-F32 HydrophobicContact CB-CG 3.92Å; Q25-F32 HydrophobicContact CB-CZ 4.27Å; D29-F32 WeakPolarHBondContact O-CB 3.44Å; H30-F32 PolarHBondContact O-N 2.59Å; F32-K36 HydrophobicContact CD2-CG 4Å; F32-K36 HydrophobicContact CE2-CB 4.45Å; F32-K36 HydrophobicContact CE2-CG 4.01Å; F32-K36 VanDerWaalsContact O-CB 3.27Å; F32-K36 WeakPolarHBondContact O-CB 3.25Å; F32-K36 WeakPolarHBondContact O-CG 3.44Å; F32-K36 PolarHBondContact O-N 2.92Å |
| 33 | L | 88.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.2 | -42.4 | -175.7 | -71.5 | 175.5 | 0 | 0 | 0 | 112.7 | H30 T31 L37 Y38 V45 A50 F53 | H30-L33 PolarHBondContact O-N 3.14Å; T31-L33 PolarHBondContact O-N 3.17Å; L33-L37 HydrophobicContact CD2-CD1 3.59Å; L33-L37 HydrophobicContact CD2-CG 4.46Å; L33-L37 CarbonylContact O-C 3.52Å; L33-L37 WeakPolarHBondContact O-CA 3.42Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.32Å; L33-Y38 HydrophobicContact CB-CD2 4Å; L33-Y38 HydrophobicContact CB-CE2 4.27Å; L33-Y38 HydrophobicContact CD2-CE2 4.44Å; L33-Y38 PolarHBondContact O-N 2.98Å; L33-V45 HydrophobicContact CB-CG1 3.99Å; L33-A50 HydrophobicContact CD1-CB 3.43Å; L33-A50 VanDerWaalsContact CD1-CB 3.43Å; L33-A50 HydrophobicContact CG-CB 4.46Å; L33-F53 HydrophobicContact CD1-CB 3.99Å; L33-F53 HydrophobicContact CD1-CD1 4.13Å; L33-F53 HydrophobicContact CD1-CG 4.19Å; L33-F53 HydrophobicContact CD2-CD1 3.42Å; L33-F53 VanDerWaalsContact CD2-CD1 3.42Å; L33-F53 HydrophobicContact CD2-CE1 3.61Å; L33-F53 HydrophobicContact CD2-CG 4.02Å; L33-F53 HydrophobicContact CD2-CZ 4.33Å; L33-F53 HydrophobicContact CG-CD1 4.45Å |
| 34 | Y | 87 | Confident | 91.4 | Very high | 76 Ų | 76 | 71.4 Ų | 71.4 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75.8 | -28.5 | 177.6 | 79.4 | -113.8 | 0 | 0 | 0 | 112.3 | T31 Y38 T39 P42 | T31-Y34 HydrophobicContact CG2-CE1 3.71Å; T31-Y34 PolarHBondContact O-N 3.17Å; T31-Y34 VanDerWaalsContact O-N 3.1Å; Y34-Y38 CarbonylContact O-C 3.54Å; Y34-T39 VanDerWaalsContact O-CA 3.25Å; Y34-T39 WeakPolarHBondContact O-CA 3.44Å; Y34-T39 WeakPolarHBondContact O-CG2 3.46Å; Y34-T39 PolarHBondContact O-N 3Å; Y34-P42 HydrophobicContact CD2-CB 3.48Å; Y34-P42 VanDerWaalsContact CD2-CB 3.48Å; Y34-P42 HydrophobicContact CE2-CB 4.38Å; Y34-P42 HydrophobicContact CG-CB 3.66Å |
| 35 | E | 88.9 | Confident | 91.4 | Very high | 103 Ų | 103 | 67.2 Ų | 67.2 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74 | -28.7 | 177.4 | -71.3 | -174 | 171.9 | 0 | 0 | 113 | T31 T39 | T31-E35 WeakPolarHBondContact O-CB 3.11Å; T31-E35 WeakPolarHBondContact O-CG 3.27Å; T31-E35 PolarHBondContact O-N 2.83Å; E35-T39 VanDerWaalsContact O-CG2 3.25Å; E35-T39 WeakPolarHBondContact O-CG2 3.45Å |
| 36 | K | 91 | Very high | 91.5 | Very high | 108 Ų | 108 | 67.2 Ų | 67.2 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -113.9 | -34 | -173.5 | -57.4 | -58.8 | 179.7 | -166.4 | 0 | 114.7 | F32 G106 | F32-K36 HydrophobicContact CD2-CG 4Å; F32-K36 HydrophobicContact CE2-CB 4.45Å; F32-K36 HydrophobicContact CE2-CG 4.01Å; F32-K36 VanDerWaalsContact O-CB 3.27Å; F32-K36 WeakPolarHBondContact O-CB 3.25Å; F32-K36 WeakPolarHBondContact O-CG 3.44Å; F32-K36 PolarHBondContact O-N 2.92Å; K36-G106 CarbonylContact O-C 2.94Å; K36-G106 WeakPolarHBondContact O-CA 3.43Å |
| 37 | L | 92.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -60.5 | -172.9 | -59.4 | -179.4 | 0 | 0 | 0 | 111.7 | L33 T39 F53 F91 A101 G106 V107 P110 | L33-L37 HydrophobicContact CD2-CD1 3.59Å; L33-L37 HydrophobicContact CD2-CG 4.46Å; L33-L37 CarbonylContact O-C 3.52Å; L33-L37 WeakPolarHBondContact O-CA 3.42Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.32Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.26Å; L37-F53 HydrophobicContact CD1-CE1 3.85Å; L37-F53 HydrophobicContact CD1-CE2 4.22Å; L37-F53 HydrophobicContact CD1-CZ 3.52Å; L37-F91 HydrophobicContact CB-CE1 4.41Å; L37-F91 HydrophobicContact CD1-CE1 4.16Å; L37-F91 HydrophobicContact CD1-CZ 4.14Å; L37-F91 HydrophobicContact CD2-CE1 3.93Å; L37-F91 HydrophobicContact CD2-CZ 4.21Å; L37-F91 HydrophobicContact CG-CE1 4.41Å; L37-A101 WeakPolarHBondContact O-CB 3.43Å; L37-G106 VanDerWaalsContact CD2-O 3.25Å; L37-G106 WeakPolarHBondContact CD2-O 3.31Å; L37-V107 WeakPolarHBondContact O-CG2 3.37Å; L37-P110 HydrophobicContact CD2-CG 4.36Å |
| 38 | Y | 94.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 68.9 Ų | 68.9 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | trans | -95.1 | 50.4 | -173.9 | -52.6 | -70.8 | 0 | 0 | 0 | 112.2 | L33 Y34 G40 V45 Q49 F53 H90 E94 T100 | L33-Y38 HydrophobicContact CB-CD2 4Å; L33-Y38 HydrophobicContact CB-CE2 4.27Å; L33-Y38 HydrophobicContact CD2-CE2 4.44Å; L33-Y38 PolarHBondContact O-N 2.98Å; Y34-Y38 CarbonylContact O-C 3.54Å; Y38-G40 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 3.03Å; Y38-V45 HydrophobicContact CD2-CG2 3.72Å; Y38-V45 HydrophobicContact CG-CG2 3.94Å; Y38-Q49 PolarHBondContact OH-NE2 3.25Å; Y38-F53 HydrophobicContact CE2-CD2 4.39Å; Y38-F53 VanDerWaalsContact OH-CD2 3.23Å; Y38-F53 WeakPolarHBondContact OH-CD2 3.23Å; Y38-H90 AromaticContact CE1-NE2 3.81Å; Y38-H90 AromaticContact CZ-NE2 3.95Å; Y38-H90 PolarHBondContact OH-NE2 3.13Å; Y38-E94 HydrophobicContact CE1-CG 4.13Å; Y38-T100 CarbonylContact C-O 3.54Å; Y38-T100 WeakPolarHBondContact CA-O 3.45Å; Y38-T100 WeakPolarHBondContact CD1-OG1 3.49Å | ||
| 39 | T | 93.6 | Very high | 91.8 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.5 | -174.2 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | Y34 E35 L37 T100 A102 | Y34-T39 VanDerWaalsContact O-CA 3.25Å; Y34-T39 WeakPolarHBondContact O-CA 3.44Å; Y34-T39 WeakPolarHBondContact O-CG2 3.46Å; Y34-T39 PolarHBondContact O-N 3Å; E35-T39 VanDerWaalsContact O-CG2 3.25Å; E35-T39 WeakPolarHBondContact O-CG2 3.45Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 3.26Å; T39-T100 PolarHBondContact N-O 3.02Å; T39-A102 PolarHBondContact OG1-N 2.95Å |
| 40 | G | 92.9 | Very high | 92 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y38 T100 | Y38-G40 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 3.03Å; G40-T100 WeakPolarHBondContact CA-O 3.21Å; G40-T100 PolarHBondContact N-O 2.94Å |
| 41 | K | 93.2 | Very high | 92.5 | Very high | 89 Ų | 89 | 59 Ų | 59 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -141.7 | 66.6 | 178.9 | -64.7 | -177.5 | -172.5 | 160.5 | 0 | 111.1 | N43 L44 Y98 T100 | K41-N43 PolarHBondContact O-N 3.17Å; K41-N43 VanDerWaalsContact O-N 3.14Å; K41-L44 HydrophobicContact CB-CD1 3.81Å; K41-L44 HydrophobicContact CB-CG 4.08Å; K41-L44 HydrophobicContact CD-CD1 3.91Å; K41-L44 PolarHBondContact O-N 3.41Å; K41-L44 VanDerWaalsContact O-N 3.08Å; K41-Y98 PolarHBondContact NZ-O 3.24Å; K41-T100 HydrophobicContact CB-CG2 4.49Å; K41-T100 HydrophobicContact CD-CG2 4.32Å; K41-T100 PolarHBondContact N-O 2.88Å |
| 42 | P | 91.7 | Very high | 92.9 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -62.9 | -26 | -170.9 | 25.7 | -35.9 | 0 | 0 | 0 | 113.6 | Y34 L44 V45 | Y34-P42 HydrophobicContact CD2-CB 3.48Å; Y34-P42 VanDerWaalsContact CD2-CB 3.48Å; Y34-P42 HydrophobicContact CE2-CB 4.38Å; Y34-P42 HydrophobicContact CG-CB 3.66Å; P42-L44 PolarHBondContact O-N 2.84Å; P42-V45 PolarHBondContact O-N 3.4Å; P42-V45 VanDerWaalsContact O-N 3.1Å |
| 43 | N | 93.4 | Very high | 93.3 | Very high | 137 Ų | 137 | 61.2 Ų | 61.2 | 73% | 0.733 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64 | -14.9 | 176.3 | 63.4 | -52.2 | 0 | 0 | 0 | 114.5 | K41 | K41-N43 PolarHBondContact O-N 3.17Å; K41-N43 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 93.6 | Very high | 93.7 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 53% | 0.534 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -85.4 | -13.5 | 175.2 | -60.4 | -179.2 | 0 | 0 | 0 | 113 | K41 P42 T100 | K41-L44 HydrophobicContact CB-CD1 3.81Å; K41-L44 HydrophobicContact CB-CG 4.08Å; K41-L44 HydrophobicContact CD-CD1 3.91Å; K41-L44 PolarHBondContact O-N 3.41Å; K41-L44 VanDerWaalsContact O-N 3.08Å; P42-L44 PolarHBondContact O-N 2.84Å; L44-T100 HydrophobicContact CD1-CG2 4.26Å |
| 45 | V | 93.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | trans | -91.5 | 124.6 | -179.2 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L33 Y38 P42 | L33-V45 HydrophobicContact CB-CG1 3.99Å; Y38-V45 HydrophobicContact CD2-CG2 3.72Å; Y38-V45 HydrophobicContact CG-CG2 3.94Å; P42-V45 PolarHBondContact O-N 3.4Å; P42-V45 VanDerWaalsContact O-N 3.1Å | ||
| 46 | N | 94.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -129.8 | 174.2 | 173.3 | 64.9 | 40.4 | 0 | 0 | 0 | 110.5 | L48 Q49 A50 | N46-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact O-N 3.17Å; N46-L48 WeakPolarHBondContact OD1-CA 3.38Å; N46-L48 WeakPolarHBondContact OD1-CB 3.5Å; N46-L48 PolarHBondContact OD1-N 2.98Å; N46-Q49 PolarHBondContact O-N 3.23Å; N46-Q49 PolarHBondContact OD1-N 3.41Å; N46-A50 PolarHBondContact O-N 2.96Å | ||
| 47 | G | 94.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -30.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R51 | G47-R51 WeakPolarHBondContact O-CG 3.27Å; G47-R51 PolarHBondContact O-N 3.47Å; G47-R51 PolarHBondContact O-NH1 3.01Å; G47-R51 VanDerWaalsContact O-NH1 3.12Å |
| 48 | L | 95.7 | Very high | 95.2 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.5 | -47.2 | 177.7 | 179.9 | 63.4 | 0 | 0 | 0 | 111.4 | N46 A50 R51 T52 | N46-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact O-N 3.17Å; N46-L48 WeakPolarHBondContact OD1-CA 3.38Å; N46-L48 WeakPolarHBondContact OD1-CB 3.5Å; N46-L48 PolarHBondContact OD1-N 2.98Å; L48-A50 PolarHBondContact O-N 3.24Å; L48-R51 PolarHBondContact O-N 3.5Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 3.42Å; L48-T52 VanDerWaalsContact O-OG1 3.1Å |
| 49 | Q | 94.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -40.4 | 175 | -169.4 | -78.2 | -23.4 | 0 | 0 | 110.2 | Y38 N46 T52 F53 | Y38-Q49 PolarHBondContact OH-NE2 3.25Å; N46-Q49 PolarHBondContact O-N 3.23Å; N46-Q49 PolarHBondContact OD1-N 3.41Å; Q49-T52 PolarHBondContact O-N 3.31Å; Q49-F53 WeakPolarHBondContact O-CB 3.31Å; Q49-F53 PolarHBondContact O-N 3.26Å |
| 50 | A | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S26 H30 L33 N46 L48 T52 F53 G54 | S26-A50 WeakPolarHBondContact CB-O 3.38Å; H30-A50 HydrophobicContact CB-CB 3.45Å; H30-A50 VanDerWaalsContact CB-CB 3.45Å; L33-A50 HydrophobicContact CD1-CB 3.43Å; L33-A50 VanDerWaalsContact CD1-CB 3.43Å; L33-A50 HydrophobicContact CG-CB 4.46Å; N46-A50 PolarHBondContact O-N 2.96Å; L48-A50 PolarHBondContact O-N 3.24Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.92Å; A50-F53 PolarHBondContact O-N 3.06Å; A50-G54 PolarHBondContact O-N 3.47Å |
| 51 | R | 96.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 59 Ų | 59 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.6 | -66.4 | -171.8 | -53.1 | -90.2 | 3.2 | 112.2 | F27 G47 L48 G54 I55 | F27-R51 HydrophobicContact CD1-CB 4.33Å; F27-R51 HydrophobicContact CD1-CG 3.8Å; F27-R51 HydrophobicContact CE1-CB 3.98Å; F27-R51 HydrophobicContact CE1-CG 3.93Å; F27-R51 HydrophobicContact CZ-CB 4.49Å; G47-R51 WeakPolarHBondContact O-CG 3.27Å; G47-R51 PolarHBondContact O-N 3.47Å; G47-R51 PolarHBondContact O-NH1 3.01Å; G47-R51 VanDerWaalsContact O-NH1 3.12Å; L48-R51 PolarHBondContact O-N 3.5Å; R51-G54 PolarHBondContact O-N 2.97Å; R51-I55 PolarHBondContact O-N 2.94Å |
| 52 | T | 96.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L48 Q49 A50 G54 I55 W56 | L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 3.42Å; L48-T52 VanDerWaalsContact O-OG1 3.1Å; Q49-T52 PolarHBondContact O-N 3.31Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.92Å; T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.3Å; T52-I55 PolarHBondContact O-N 3.06Å; T52-W56 PolarHBondContact O-N 2.88Å |
| 53 | F | 96.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 173.5 | -178.6 | -87.2 | 0 | 0 | 0 | 111.5 | L33 L37 Y38 Q49 A50 W56 T57 F91 | L33-F53 HydrophobicContact CD1-CB 3.99Å; L33-F53 HydrophobicContact CD1-CD1 4.13Å; L33-F53 HydrophobicContact CD1-CG 4.19Å; L33-F53 HydrophobicContact CD2-CD1 3.42Å; L33-F53 VanDerWaalsContact CD2-CD1 3.42Å; L33-F53 HydrophobicContact CD2-CE1 3.61Å; L33-F53 HydrophobicContact CD2-CG 4.02Å; L33-F53 HydrophobicContact CD2-CZ 4.33Å; L33-F53 HydrophobicContact CG-CD1 4.45Å; L37-F53 HydrophobicContact CD1-CE1 3.85Å; L37-F53 HydrophobicContact CD1-CE2 4.22Å; L37-F53 HydrophobicContact CD1-CZ 3.52Å; Y38-F53 HydrophobicContact CE2-CD2 4.39Å; Y38-F53 VanDerWaalsContact OH-CD2 3.23Å; Y38-F53 WeakPolarHBondContact OH-CD2 3.23Å; Q49-F53 WeakPolarHBondContact O-CB 3.31Å; Q49-F53 PolarHBondContact O-N 3.26Å; A50-F53 PolarHBondContact O-N 3.06Å; F53-W56 HydrophobicContact CD2-CE3 4.03Å; F53-W56 HydrophobicContact CD2-CZ3 4.21Å; F53-W56 AromaticContact CE2-CE3 3.86Å; F53-W56 HydrophobicContact CE2-CE3 3.86Å; F53-W56 AromaticContact CE2-CZ3 3.58Å; F53-W56 HydrophobicContact CE2-CZ3 3.58Å; F53-W56 HydrophobicContact CZ-CE3 4.31Å; F53-W56 AromaticContact CZ-CZ3 3.93Å; F53-W56 HydrophobicContact CZ-CZ3 3.93Å; F53-W56 PolarHBondContact O-N 2.89Å; F53-T57 VanDerWaalsContact CE1-OG1 3.31Å; F53-T57 WeakPolarHBondContact CE1-OG1 3.37Å; F53-T57 WeakPolarHBondContact O-CB 3.22Å; F53-T57 PolarHBondContact O-N 2.62Å; F53-T57 PolarHBondContact O-OG1 2.95Å; F53-F91 HydrophobicContact CE2-CZ 4.24Å; F53-F91 HydrophobicContact CZ-CZ 4.1Å |
| 54 | G | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T23 A50 R51 T52 T57 L58 | T23-G54 WeakPolarHBondContact CG2-O 3.22Å; T23-G54 PolarHBondContact OG1-O 2.89Å; A50-G54 PolarHBondContact O-N 3.47Å; R51-G54 PolarHBondContact O-N 2.97Å; T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.3Å; G54-T57 PolarHBondContact O-N 3.47Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å; G54-L58 PolarHBondContact O-N 3.18Å |
| 55 | I | 97.7 | Very high | 97 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.2 | -69.6 | -60.3 | 0 | 0 | 0 | 111.7 | F27 R51 T52 T57 L58 L59 | F27-I55 HydrophobicContact CE2-CD1 4.07Å; F27-I55 HydrophobicContact CE2-CG1 4.37Å; F27-I55 HydrophobicContact CZ-CD1 3.56Å; F27-I55 HydrophobicContact CZ-CG1 3.76Å; R51-I55 PolarHBondContact O-N 2.94Å; T52-I55 PolarHBondContact O-N 3.06Å; I55-T57 VanDerWaalsContact C-N 3.29Å; I55-T57 PolarHBondContact O-N 2.76Å; I55-L58 PolarHBondContact O-N 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.26Å; I55-L59 PolarHBondContact O-N 3.39Å |
| 56 | W | 98 | Very high | 97.2 | Very high | 78 Ų | 78 | 52.5 Ų | 52.5 | 30% | 0.295 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 176 | 170.3 | 78.7 | 0 | 0 | 0 | 112 | T52 F53 S60 A87 | T52-W56 PolarHBondContact O-N 2.88Å; F53-W56 HydrophobicContact CD2-CE3 4.03Å; F53-W56 HydrophobicContact CD2-CZ3 4.21Å; F53-W56 AromaticContact CE2-CE3 3.86Å; F53-W56 HydrophobicContact CE2-CE3 3.86Å; F53-W56 AromaticContact CE2-CZ3 3.58Å; F53-W56 HydrophobicContact CE2-CZ3 3.58Å; F53-W56 HydrophobicContact CZ-CE3 4.31Å; F53-W56 AromaticContact CZ-CZ3 3.93Å; F53-W56 HydrophobicContact CZ-CZ3 3.93Å; F53-W56 PolarHBondContact O-N 2.89Å; W56-S60 PolarHBondContact O-N 3.01Å; W56-S60 PolarHBondContact O-OG 3.28Å; W56-A87 HydrophobicContact CH2-CB 3.96Å; W56-A87 HydrophobicContact CZ2-CB 4.25Å |
| 57 | T | 97.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | A19 N22 F53 G54 I55 S60 S61 | A19-T57 HydrophobicContact CB-CG2 3.91Å; A19-T57 WeakPolarHBondContact O-CG2 3.3Å; N22-T57 HydrophobicContact CB-CG2 4.38Å; F53-T57 VanDerWaalsContact CE1-OG1 3.31Å; F53-T57 WeakPolarHBondContact CE1-OG1 3.37Å; F53-T57 WeakPolarHBondContact O-CB 3.22Å; F53-T57 PolarHBondContact O-N 2.62Å; F53-T57 PolarHBondContact O-OG1 2.95Å; G54-T57 PolarHBondContact O-N 3.47Å; I55-T57 VanDerWaalsContact C-N 3.29Å; I55-T57 PolarHBondContact O-N 2.76Å; T57-S60 PolarHBondContact O-N 3.18Å; T57-S61 WeakPolarHBondContact O-CB 3.18Å; T57-S61 PolarHBondContact O-N 2.94Å |
| 58 | L | 98 | Very high | 97.6 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 177.8 | -175.9 | 57.4 | 0 | 0 | 0 | 111.3 | M20 T23 G54 I55 S60 S61 V62 | M20-L58 HydrophobicContact CG-CD1 4.3Å; T23-L58 HydrophobicContact CG2-CB 3.81Å; T23-L58 HydrophobicContact CG2-CD1 4.31Å; T23-L58 HydrophobicContact CG2-CD2 4.25Å; T23-L58 HydrophobicContact CG2-CG 4.34Å; T23-L58 WeakPolarHBondContact OG1-CA 3.26Å; T23-L58 PolarHBondContact OG1-N 3.01Å; T23-L58 VanDerWaalsContact OG1-N 3.16Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å; G54-L58 PolarHBondContact O-N 3.18Å; I55-L58 PolarHBondContact O-N 3.28Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.38Å; L58-S61 WeakPolarHBondContact O-CA 3.26Å; L58-S61 WeakPolarHBondContact O-CB 3.37Å; L58-S61 PolarHBondContact O-N 2.67Å; L58-S61 VanDerWaalsContact O-N 3.09Å; L58-V62 WeakPolarHBondContact O-CG2 2.99Å; L58-V62 PolarHBondContact O-N 3Å |
| 59 | L | 98.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 47.7 Ų | 47.7 | 53% | 0.534 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 176.1 | 177 | 61.6 | 0 | 0 | 0 | 110.7 | I55 S61 V62 I63 | I55-L59 WeakPolarHBondContact O-CB 3.26Å; I55-L59 PolarHBondContact O-N 3.39Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.01Å; L59-I63 HydrophobicContact CD1-CD1 4.05Å; L59-I63 HydrophobicContact CD1-CG1 4.41Å; L59-I63 HydrophobicContact CG-CD1 4.01Å; L59-I63 WeakPolarHBondContact O-CG1 3.37Å; L59-I63 PolarHBondContact O-N 3.31Å |
| 60 | S | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | W56 T57 L58 R64 | W56-S60 PolarHBondContact O-N 3.01Å; W56-S60 PolarHBondContact O-OG 3.28Å; T57-S60 PolarHBondContact O-N 3.18Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.38Å; S60-R64 WeakPolarHBondContact O-CB 3.27Å; S60-R64 VanDerWaalsContact O-CD 3.28Å; S60-R64 WeakPolarHBondContact O-CD 3.46Å; S60-R64 WeakPolarHBondContact O-CG 3.49Å; S60-R64 PolarHBondContact O-N 3.12Å |
| 61 | S | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | S16 M20 T57 L58 L59 I63 R64 C65 | S16-S61 VanDerWaalsContact C-OG 3.3Å; S16-S61 WeakPolarHBondContact CA-OG 3.47Å; S16-S61 WeakPolarHBondContact CB-OG 3.4Å; S16-S61 PolarHBondContact O-OG 3.47Å; S16-S61 PolarHBondContact OG-O 3.4Å; M20-S61 VanDerWaalsContact CG-OG 3.28Å; M20-S61 WeakPolarHBondContact CG-OG 3.36Å; T57-S61 WeakPolarHBondContact O-CB 3.18Å; T57-S61 PolarHBondContact O-N 2.94Å; L58-S61 WeakPolarHBondContact O-CA 3.26Å; L58-S61 WeakPolarHBondContact O-CB 3.37Å; L58-S61 PolarHBondContact O-N 2.67Å; L58-S61 VanDerWaalsContact O-N 3.09Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.06Å; S61-I63 PolarHBondContact O-N 3.38Å; S61-R64 PolarHBondContact O-N 3.34Å; S61-C65 PolarHBondContact O-N 2.89Å |
| 62 | V | 98.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 178 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L58 L59 R64 C65 L66 | L58-V62 WeakPolarHBondContact O-CG2 2.99Å; L58-V62 PolarHBondContact O-N 3Å; L59-V62 PolarHBondContact O-N 3.01Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-R64 PolarHBondContact O-N 3.36Å; V62-C65 PolarHBondContact O-N 3.08Å; V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 HydrophobicContact CG1-CG 4.36Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.99Å |
| 63 | I | 98.7 | Very high | 97.7 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 177.6 | -71.4 | 168.8 | 0 | 0 | 0 | 111.1 | L59 S61 C65 L66 C67 I79 T80 T83 | L59-I63 HydrophobicContact CD1-CD1 4.05Å; L59-I63 HydrophobicContact CD1-CG1 4.41Å; L59-I63 HydrophobicContact CG-CD1 4.01Å; L59-I63 WeakPolarHBondContact O-CG1 3.37Å; L59-I63 PolarHBondContact O-N 3.31Å; S61-I63 PolarHBondContact O-N 3.38Å; I63-C65 VanDerWaalsContact C-N 3.34Å; I63-C65 PolarHBondContact O-N 3.18Å; I63-L66 PolarHBondContact O-N 3.17Å; I63-C67 PolarHBondContact O-N 3.47Å; I63-I79 HydrophobicContact CD1-CG2 4.15Å; I63-I79 HydrophobicContact CG2-CG2 3.78Å; I63-T80 WeakPolarHBondContact CG2-OG1 3.28Å; I63-T80 PolarHBondContact O-OG1 3.04Å; I63-T83 HydrophobicContact CB-CG2 4.15Å; I63-T83 HydrophobicContact CD1-CG2 4.03Å; I63-T83 HydrophobicContact CG2-CG2 3.68Å |
| 64 | R | 98.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 179.1 | -70.5 | 162.4 | -171.2 | 173.9 | 2.7 | 112 | S16 S60 S61 V62 C67 A68 T80 T83 F84 | S16-R64 WeakPolarHBondContact OG-CB 3.19Å; S60-R64 WeakPolarHBondContact O-CB 3.27Å; S60-R64 VanDerWaalsContact O-CD 3.28Å; S60-R64 WeakPolarHBondContact O-CD 3.46Å; S60-R64 WeakPolarHBondContact O-CG 3.49Å; S60-R64 PolarHBondContact O-N 3.12Å; S61-R64 PolarHBondContact O-N 3.34Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-R64 PolarHBondContact O-N 3.36Å; R64-C67 PolarHBondContact O-N 3.2Å; R64-A68 WeakPolarHBondContact O-CB 3.3Å; R64-A68 PolarHBondContact O-N 3.42Å; R64-T80 HydrophobicContact CB-CG2 4.34Å; R64-T80 HydrophobicContact CG-CG2 3.83Å; R64-T83 PolarHBondContact NE-OG1 3.16Å; R64-F84 HydrophobicContact CG-CE2 4.08Å; R64-F84 HydrophobicContact CG-CZ 3.86Å; R64-F84 VanDerWaalsContact CZ-CE1 3.45Å |
| 65 | C | 98.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | S16 S61 V62 I63 C67 A68 I69 | S16-C65 PolarHBondContact OG-N 2.91Å; S61-C65 PolarHBondContact O-N 2.89Å; V62-C65 PolarHBondContact O-N 3.08Å; I63-C65 VanDerWaalsContact C-N 3.34Å; I63-C65 PolarHBondContact O-N 3.18Å; C65-C67 VanDerWaalsContact C-N 3.34Å; C65-C67 PolarHBondContact O-N 3.31Å; C65-A68 WeakPolarHBondContact O-CA 3.38Å; C65-A68 WeakPolarHBondContact O-CB 3.35Å; C65-A68 PolarHBondContact O-N 3.03Å; C65-I69 WeakPolarHBondContact O-CG1 3.43Å; C65-I69 PolarHBondContact O-N 3.37Å |
| 66 | L | 98.5 | Very high | 97.7 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 45% | 0.445 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.7 | -70.2 | 173.4 | 0 | 0 | 0 | 111.8 | V62 I63 A68 I69 D70 | V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 HydrophobicContact CG1-CG 4.36Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.99Å; I63-L66 PolarHBondContact O-N 3.17Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.03Å; L66-I69 PolarHBondContact O-N 3.27Å; L66-D70 PolarHBondContact O-N 3.46Å |
| 67 | C | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -33.6 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | I63 R64 C65 I69 D70 I71 L76 T80 | I63-C67 PolarHBondContact O-N 3.47Å; R64-C67 PolarHBondContact O-N 3.2Å; C65-C67 VanDerWaalsContact C-N 3.34Å; C65-C67 PolarHBondContact O-N 3.31Å; C67-I69 VanDerWaalsContact C-N 3.31Å; C67-D70 CarbonylContact O-C 3.24Å; C67-D70 VanDerWaalsContact O-C 3.24Å; C67-D70 PolarHBondContact O-N 2.95Å; C67-I71 WeakPolarHBondContact O-CA 3.31Å; C67-I71 WeakPolarHBondContact O-CD1 3.27Å; C67-I71 PolarHBondContact O-N 2.62Å; C67-L76 HydrophobicContact CB-CB 4.3Å; C67-T80 HydrophobicContact CB-CG2 4.04Å; C67-T80 WeakPolarHBondContact CB-OG1 3.15Å |
| 68 | A | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R9 L12 V13 R64 C65 L66 | R9-A68 WeakPolarHBondContact CG-O 3.4Å; R9-A68 PolarHBondContact NE-O 3.12Å; R9-A68 VanDerWaalsContact NE-O 3.14Å; R9-A68 PolarHBondContact NH1-O 3.09Å; R9-A68 PolarHBondContact NH2-O 3.46Å; L12-A68 HydrophobicContact CB-CB 3.83Å; L12-A68 HydrophobicContact CD1-CB 4.49Å; V13-A68 HydrophobicContact CG2-CB 3.7Å; R64-A68 WeakPolarHBondContact O-CB 3.3Å; R64-A68 PolarHBondContact O-N 3.42Å; C65-A68 WeakPolarHBondContact O-CA 3.38Å; C65-A68 WeakPolarHBondContact O-CB 3.35Å; C65-A68 PolarHBondContact O-N 3.03Å; L66-A68 VanDerWaalsContact C-N 3.32Å; L66-A68 PolarHBondContact O-N 3.03Å |
| 69 | I | 97.5 | Very high | 97.8 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 57% | 0.569 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.1 | -49.3 | 175 | -68 | 164.4 | 0 | 0 | 0 | 110 | R9 C65 L66 C67 | R9-I69 PolarHBondContact NH1-O 3.26Å; R9-I69 PolarHBondContact NH2-O 3.33Å; C65-I69 WeakPolarHBondContact O-CG1 3.43Å; C65-I69 PolarHBondContact O-N 3.37Å; L66-I69 PolarHBondContact O-N 3.27Å; C67-I69 VanDerWaalsContact C-N 3.31Å |
| 70 | D | 96.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 64.8 | -176.2 | -170.7 | 9.1 | 0 | 0 | 0 | 112.4 | L66 C67 H72 N73 L76 | L66-D70 PolarHBondContact O-N 3.46Å; C67-D70 CarbonylContact O-C 3.24Å; C67-D70 VanDerWaalsContact O-C 3.24Å; C67-D70 PolarHBondContact O-N 2.95Å; D70-H72 PolarHBondContact O-N 3.38Å; D70-H72 VanDerWaalsContact O-N 3.17Å; D70-N73 HydrophobicContact CB-CB 4.28Å; D70-N73 VanDerWaalsContact CG-CB 3.42Å; D70-N73 WeakPolarHBondContact O-CB 3.12Å; D70-N73 PolarHBondContact O-N 2.92Å; D70-N73 VanDerWaalsContact O-N 3.14Å; D70-N73 WeakPolarHBondContact OD2-CB 3.36Å; D70-N73 PolarHBondContact OD2-ND2 3.04Å; D70-L76 HydrophobicContact CB-CD1 4.14Å |
| 71 | I | 96.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -174.1 | -158 | 66.1 | 0 | 0 | 0 | 113.9 | L8 R9 L12 C67 N73 Y77 L128 | L8-I71 HydrophobicContact CD2-CD1 4.45Å; R9-I71 HydrophobicContact CG-CB 3.82Å; R9-I71 HydrophobicContact CG-CD1 4.27Å; R9-I71 HydrophobicContact CG-CG1 3.96Å; R9-I71 HydrophobicContact CG-CG2 4.05Å; L12-I71 HydrophobicContact CD1-CD1 3.71Å; C67-I71 WeakPolarHBondContact O-CA 3.31Å; C67-I71 WeakPolarHBondContact O-CD1 3.27Å; C67-I71 PolarHBondContact O-N 2.62Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-Y77 HydrophobicContact CD1-CD2 3.92Å; I71-Y77 HydrophobicContact CD1-CE2 3.78Å; I71-Y77 HydrophobicContact CG1-CD2 4.27Å; I71-Y77 HydrophobicContact CG1-CE2 4.08Å; I71-Y77 WeakPolarHBondContact O-CD2 3.35Å; I71-L128 VanDerWaalsContact O-CD1 3.23Å; I71-L128 WeakPolarHBondContact O-CD1 3.45Å |
| 72 | H | 95.4 | Very high | 97.8 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.7 | -179.9 | -66 | -84.5 | 0 | 0 | 0 | 112.4 | D70 K74 L128 E131 | D70-H72 PolarHBondContact O-N 3.38Å; D70-H72 VanDerWaalsContact O-N 3.17Å; H72-K74 PolarHBondContact O-N 3.03Å; H72-L128 HydrophobicContact CB-CD2 4.42Å; H72-L128 VanDerWaalsContact ND1-CD2 3.32Å; H72-L128 WeakPolarHBondContact ND1-CD2 3.3Å; H72-E131 IonicContact CE1-OE1 3.06Å; H72-E131 IonicContact CE1-OE2 3.79Å; H72-E131 PolarHBondContact CE1-OE2 3.31Å; H72-E131 IonicContact ND1-OE2 3.99Å; H72-E131 PolarHBondContact ND1-OE2 2.98Å; H72-E131 VanDerWaalsContact ND1-OE2 3.09Å |
| 73 | N | 95.9 | Very high | 97.8 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | trans | -74.7 | 104.6 | 175.2 | -175.9 | -35.3 | 0 | 0 | 0 | 110.8 | D70 I71 T75 L76 Y77 | D70-N73 HydrophobicContact CB-CB 4.28Å; D70-N73 VanDerWaalsContact CG-CB 3.42Å; D70-N73 WeakPolarHBondContact O-CB 3.12Å; D70-N73 PolarHBondContact O-N 2.92Å; D70-N73 VanDerWaalsContact O-N 3.14Å; D70-N73 WeakPolarHBondContact OD2-CB 3.36Å; D70-N73 PolarHBondContact OD2-ND2 3.04Å; I71-N73 VanDerWaalsContact C-N 3.34Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 3.42Å; N73-T75 WeakPolarHBondContact OD1-CB 3.44Å; N73-T75 PolarHBondContact OD1-N 3.33Å; N73-T75 VanDerWaalsContact OD1-N 3.16Å; N73-L76 HydrophobicContact CB-CB 4.25Å; N73-L76 HydrophobicContact CB-CD1 4.16Å; N73-L76 HydrophobicContact CB-CG 4.39Å; N73-L76 PolarHBondContact O-N 3.45Å; N73-L76 PolarHBondContact OD1-N 3.39Å; N73-Y77 WeakPolarHBondContact O-CB 3.42Å; N73-Y77 PolarHBondContact O-N 3.23Å | ||
| 74 | K | 95.5 | Very high | 97.8 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.1 | -37.7 | -176 | -64.8 | -170.2 | 177.5 | -171.7 | 0 | 112.7 | H72 Y77 H78 | H72-K74 PolarHBondContact O-N 3.03Å; K74-Y77 WeakPolarHBondContact O-CB 3.34Å; K74-Y77 PolarHBondContact O-N 2.9Å; K74-H78 PolarHBondContact O-CD2 3.38Å; K74-H78 PolarHBondContact O-N 3.46Å |
| 75 | T | 97.6 | Very high | 97.8 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.1 | -50.5 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | N73 Y77 H78 I79 | N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 3.42Å; N73-T75 WeakPolarHBondContact OD1-CB 3.44Å; N73-T75 PolarHBondContact OD1-N 3.33Å; N73-T75 VanDerWaalsContact OD1-N 3.16Å; T75-Y77 VanDerWaalsContact C-N 3.26Å; T75-Y77 PolarHBondContact O-N 3.24Å; T75-H78 PolarHBondContact O-N 3.41Å; T75-I79 HydrophobicContact CG2-CD1 3.92Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 3.34Å |
| 76 | L | 97.6 | Very high | 97.8 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | 175.7 | -73.2 | 176.9 | 0 | 0 | 0 | 112 | C67 D70 N73 I79 T80 | C67-L76 HydrophobicContact CB-CB 4.3Å; D70-L76 HydrophobicContact CB-CD1 4.14Å; N73-L76 HydrophobicContact CB-CB 4.25Å; N73-L76 HydrophobicContact CB-CD1 4.16Å; N73-L76 HydrophobicContact CB-CG 4.39Å; N73-L76 PolarHBondContact O-N 3.45Å; N73-L76 PolarHBondContact OD1-N 3.39Å; L76-I79 PolarHBondContact O-N 2.94Å; L76-T80 VanDerWaalsContact O-CB 3.26Å; L76-T80 WeakPolarHBondContact O-CB 2.95Å; L76-T80 PolarHBondContact O-N 3.17Å; L76-T80 PolarHBondContact O-OG1 3.5Å |
| 77 | Y | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 177.5 | -158.6 | -80.9 | 0 | 0 | 0 | 112.1 | L8 I71 N73 K74 T75 T80 L81 M121 G124 L125 L128 | L8-Y77 HydrophobicContact CD2-CE2 4.03Å; L8-Y77 VanDerWaalsContact CD2-OH 3.25Å; L8-Y77 WeakPolarHBondContact CD2-OH 3.21Å; I71-Y77 HydrophobicContact CD1-CD2 3.92Å; I71-Y77 HydrophobicContact CD1-CE2 3.78Å; I71-Y77 HydrophobicContact CG1-CD2 4.27Å; I71-Y77 HydrophobicContact CG1-CE2 4.08Å; I71-Y77 WeakPolarHBondContact O-CD2 3.35Å; N73-Y77 WeakPolarHBondContact O-CB 3.42Å; N73-Y77 PolarHBondContact O-N 3.23Å; K74-Y77 WeakPolarHBondContact O-CB 3.34Å; K74-Y77 PolarHBondContact O-N 2.9Å; T75-Y77 VanDerWaalsContact C-N 3.26Å; T75-Y77 PolarHBondContact O-N 3.24Å; Y77-T80 PolarHBondContact O-N 3.38Å; Y77-L81 PolarHBondContact O-N 3.33Å; Y77-M121 HydrophobicContact CD1-CE 3.7Å; Y77-M121 HydrophobicContact CD2-CE 4.18Å; Y77-M121 HydrophobicContact CE1-CB 4Å; Y77-M121 HydrophobicContact CE1-CE 3.63Å; Y77-M121 HydrophobicContact CE1-CG 4.48Å; Y77-M121 VanDerWaalsContact CE1-O 3.25Å; Y77-M121 WeakPolarHBondContact CE1-O 3.32Å; Y77-M121 HydrophobicContact CE2-CE 4.13Å; Y77-M121 HydrophobicContact CG-CE 3.99Å; Y77-M121 VanDerWaalsContact O-CE 3.22Å; Y77-M121 WeakPolarHBondContact O-CE 3.44Å; Y77-M121 VanDerWaalsContact OH-C 3.28Å; Y77-M121 WeakPolarHBondContact OH-CA 3.49Å; Y77-M121 PolarHBondContact OH-O 3.06Å; Y77-G124 VanDerWaalsContact OH-C 3.26Å; Y77-G124 VanDerWaalsContact OH-CA 3.25Å; Y77-G124 WeakPolarHBondContact OH-CA 3.39Å; Y77-L125 HydrophobicContact CD1-CD1 4.05Å; Y77-L125 HydrophobicContact CE1-CB 3.84Å; Y77-L125 HydrophobicContact CE1-CD1 4.21Å; Y77-L125 PolarHBondContact OH-N 3.12Å; Y77-L125 VanDerWaalsContact OH-N 3.16Å; Y77-L128 HydrophobicContact CD2-CD1 3.5Å; Y77-L128 VanDerWaalsContact CD2-CD1 3.5Å; Y77-L128 HydrophobicContact CE2-CD1 3.53Å; Y77-L128 HydrophobicContact CG-CD1 4.06Å |
| 78 | H | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 177.5 | -71.1 | -56.4 | 0 | 0 | 0 | 112.1 | K74 T75 T80 L81 W82 | K74-H78 PolarHBondContact O-CD2 3.38Å; K74-H78 PolarHBondContact O-N 3.46Å; T75-H78 PolarHBondContact O-N 3.41Å; H78-T80 VanDerWaalsContact C-N 3.27Å; H78-T80 PolarHBondContact O-N 3.03Å; H78-L81 PolarHBondContact O-N 3.24Å; H78-W82 VanDerWaalsContact O-CD1 3.23Å; H78-W82 PolarHBondContact O-N 2.86Å |
| 79 | I | 98.6 | Very high | 97.8 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.6 | -65.7 | 168.1 | 0 | 0 | 0 | 109.9 | I63 T75 L76 W82 T83 | I63-I79 HydrophobicContact CD1-CG2 4.15Å; I63-I79 HydrophobicContact CG2-CG2 3.78Å; T75-I79 HydrophobicContact CG2-CD1 3.92Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.37Å; T75-I79 PolarHBondContact O-N 3.34Å; L76-I79 PolarHBondContact O-N 2.94Å; I79-W82 WeakPolarHBondContact O-CB 3.24Å; I79-W82 PolarHBondContact O-N 3.3Å; I79-T83 WeakPolarHBondContact O-CG2 3.34Å; I79-T83 PolarHBondContact O-N 2.95Å |
| 80 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 112 | L12 I63 R64 C67 L76 Y77 H78 W82 T83 F84 M121 | L12-T80 HydrophobicContact CD2-CG2 4.18Å; I63-T80 WeakPolarHBondContact CG2-OG1 3.28Å; I63-T80 PolarHBondContact O-OG1 3.04Å; R64-T80 HydrophobicContact CB-CG2 4.34Å; R64-T80 HydrophobicContact CG-CG2 3.83Å; C67-T80 HydrophobicContact CB-CG2 4.04Å; C67-T80 WeakPolarHBondContact CB-OG1 3.15Å; L76-T80 VanDerWaalsContact O-CB 3.26Å; L76-T80 WeakPolarHBondContact O-CB 2.95Å; L76-T80 PolarHBondContact O-N 3.17Å; L76-T80 PolarHBondContact O-OG1 3.5Å; Y77-T80 PolarHBondContact O-N 3.38Å; H78-T80 VanDerWaalsContact C-N 3.27Å; H78-T80 PolarHBondContact O-N 3.03Å; T80-W82 VanDerWaalsContact C-N 3.27Å; T80-W82 PolarHBondContact O-N 3.03Å; T80-T83 WeakPolarHBondContact O-CB 3.38Å; T80-T83 PolarHBondContact O-N 3.44Å; T80-T83 PolarHBondContact O-OG1 3.4Å; T80-F84 HydrophobicContact CG2-CD2 4.44Å; T80-F84 HydrophobicContact CG2-CE2 3.91Å; T80-F84 WeakPolarHBondContact O-CD2 3.23Å; T80-F84 PolarHBondContact O-N 2.86Å; T80-M121 HydrophobicContact CG2-CE 3.79Å; T80-M121 HydrophobicContact CG2-SD 3.88Å |
| 81 | L | 98.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 172.9 | 178.6 | 61.3 | 0 | 0 | 0 | 111 | Y77 H78 T83 F84 L85 I118 M121 L122 | Y77-L81 PolarHBondContact O-N 3.33Å; H78-L81 PolarHBondContact O-N 3.24Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.85Å; L81-F84 PolarHBondContact O-N 3.47Å; L81-F84 VanDerWaalsContact O-N 3.12Å; L81-L85 HydrophobicContact CG-CD1 4.17Å; L81-L85 PolarHBondContact O-N 2.92Å; L81-I118 HydrophobicContact CD1-CB 4.36Å; L81-I118 HydrophobicContact CD1-CG1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.19Å; L81-M121 HydrophobicContact CB-CE 4.07Å; L81-M121 HydrophobicContact CB-SD 4.32Å; L81-M121 HydrophobicContact CD1-CB 4Å; L81-L122 HydrophobicContact CD2-CD2 4.01Å |
| 82 | W | 98.6 | Very high | 97.8 | Very high | 159 Ų | 159 | 51.4 Ų | 51.4 | 60% | 0.602 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.3 | -34.4 | 174.7 | -82.1 | 111.5 | 0 | 0 | 0 | 113.3 | H78 I79 T80 F84 L85 L86 | H78-W82 VanDerWaalsContact O-CD1 3.23Å; H78-W82 PolarHBondContact O-N 2.86Å; I79-W82 WeakPolarHBondContact O-CB 3.24Å; I79-W82 PolarHBondContact O-N 3.3Å; T80-W82 VanDerWaalsContact C-N 3.27Å; T80-W82 PolarHBondContact O-N 3.03Å; W82-F84 PolarHBondContact O-N 3.22Å; W82-L85 HydrophobicContact CD2-CD1 4.01Å; W82-L85 HydrophobicContact CE3-CB 4.02Å; W82-L85 HydrophobicContact CE3-CD1 3.77Å; W82-L85 HydrophobicContact CH2-CD1 4.49Å; W82-L85 HydrophobicContact CZ3-CB 4.44Å; W82-L85 HydrophobicContact CZ3-CD1 4.03Å; W82-L85 PolarHBondContact O-N 3.34Å; W82-L86 WeakPolarHBondContact O-CB 3.48Å; W82-L86 VanDerWaalsContact O-CG 3.28Å; W82-L86 WeakPolarHBondContact O-CG 3.34Å; W82-L86 PolarHBondContact O-N 3.22Å |
| 83 | T | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 174.4 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | I63 R64 I79 T80 L81 A87 | I63-T83 HydrophobicContact CB-CG2 4.15Å; I63-T83 HydrophobicContact CD1-CG2 4.03Å; I63-T83 HydrophobicContact CG2-CG2 3.68Å; R64-T83 PolarHBondContact NE-OG1 3.16Å; I79-T83 WeakPolarHBondContact O-CG2 3.34Å; I79-T83 PolarHBondContact O-N 2.95Å; T80-T83 WeakPolarHBondContact O-CB 3.38Å; T80-T83 PolarHBondContact O-N 3.44Å; T80-T83 PolarHBondContact O-OG1 3.4Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.85Å; T83-A87 WeakPolarHBondContact O-CB 3.19Å; T83-A87 PolarHBondContact O-N 3.05Å |
| 84 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -80.1 | -38.4 | 176.1 | -66.4 | -69.2 | 0 | 0 | 0 | 112 | L12 V15 R64 T80 L81 W82 A87 L88 S117 I118 M121 | L12-F84 HydrophobicContact CD2-CE2 3.61Å; L12-F84 HydrophobicContact CD2-CZ 3.77Å; V15-F84 HydrophobicContact CG2-CE1 4.23Å; V15-F84 HydrophobicContact CG2-CZ 3.92Å; R64-F84 HydrophobicContact CG-CE2 4.08Å; R64-F84 HydrophobicContact CG-CZ 3.86Å; R64-F84 VanDerWaalsContact CZ-CE1 3.45Å; T80-F84 HydrophobicContact CG2-CD2 4.44Å; T80-F84 HydrophobicContact CG2-CE2 3.91Å; T80-F84 WeakPolarHBondContact O-CD2 3.23Å; T80-F84 PolarHBondContact O-N 2.86Å; L81-F84 PolarHBondContact O-N 3.47Å; L81-F84 VanDerWaalsContact O-N 3.12Å; W82-F84 PolarHBondContact O-N 3.22Å; F84-A87 PolarHBondContact O-N 3.42Å; F84-L88 WeakPolarHBondContact O-CB 3.19Å; F84-L88 PolarHBondContact O-N 3.49Å; F84-S117 VanDerWaalsContact CE1-CB 3.47Å; F84-S117 VanDerWaalsContact CE1-OG 3.31Å; F84-S117 WeakPolarHBondContact CE1-OG 3.36Å; F84-I118 HydrophobicContact CB-CD1 4.18Å; F84-I118 HydrophobicContact CB-CG1 3.69Å; F84-M121 HydrophobicContact CD2-SD 3.72Å; F84-M121 HydrophobicContact CE2-SD 3.71Å |
| 85 | L | 98.7 | Very high | 98 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.2 | -73.2 | 170.8 | 0 | 0 | 0 | 111.7 | L81 W82 L88 G89 I118 | L81-L85 HydrophobicContact CG-CD1 4.17Å; L81-L85 PolarHBondContact O-N 2.92Å; W82-L85 HydrophobicContact CD2-CD1 4.01Å; W82-L85 HydrophobicContact CE3-CB 4.02Å; W82-L85 HydrophobicContact CE3-CD1 3.77Å; W82-L85 HydrophobicContact CH2-CD1 4.49Å; W82-L85 HydrophobicContact CZ3-CB 4.44Å; W82-L85 HydrophobicContact CZ3-CD1 4.03Å; W82-L85 PolarHBondContact O-N 3.34Å; L85-L88 PolarHBondContact O-N 2.91Å; L85-G89 PolarHBondContact O-N 3.27Å; L85-I118 HydrophobicContact CD2-CD1 3.89Å; L85-I118 HydrophobicContact CD2-CG1 4.25Å; L85-I118 HydrophobicContact CD2-CG2 4.47Å; L85-I118 HydrophobicContact CG-CD1 4.38Å; L85-I118 HydrophobicContact CG-CG1 4.44Å |
| 86 | L | 98.6 | Very high | 98 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 53% | 0.534 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.7 | -70.6 | 172.4 | 0 | 0 | 0 | 111.6 | W82 G89 H90 | W82-L86 WeakPolarHBondContact O-CB 3.48Å; W82-L86 VanDerWaalsContact O-CG 3.28Å; W82-L86 WeakPolarHBondContact O-CG 3.34Å; W82-L86 PolarHBondContact O-N 3.22Å; L86-G89 PolarHBondContact O-N 2.85Å; L86-H90 WeakPolarHBondContact O-CB 3.36Å; L86-H90 PolarHBondContact O-N 3.49Å |
| 87 | A | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | W56 T83 F84 H90 F91 | W56-A87 HydrophobicContact CH2-CB 3.96Å; W56-A87 HydrophobicContact CZ2-CB 4.25Å; T83-A87 WeakPolarHBondContact O-CB 3.19Å; T83-A87 PolarHBondContact O-N 3.05Å; F84-A87 PolarHBondContact O-N 3.42Å; A87-H90 PolarHBondContact O-N 3.19Å; A87-F91 WeakPolarHBondContact O-CD2 3.39Å; A87-F91 PolarHBondContact O-N 3.13Å |
| 88 | L | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 176.6 | -175.4 | 67.6 | 0 | 0 | 0 | 110.8 | F84 L85 H90 F91 L92 L111 A114 I118 | F84-L88 WeakPolarHBondContact O-CB 3.19Å; F84-L88 PolarHBondContact O-N 3.49Å; L85-L88 PolarHBondContact O-N 2.91Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-H90 PolarHBondContact O-N 3.22Å; L88-F91 PolarHBondContact O-N 3.46Å; L88-L92 HydrophobicContact CD1-CD1 4.14Å; L88-L92 HydrophobicContact CD1-CG 4.36Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 2.7Å; L88-L111 HydrophobicContact CD1-CD2 3.68Å; L88-A114 HydrophobicContact CB-CB 3.99Å; L88-A114 HydrophobicContact CD1-CB 4.32Å; L88-I118 HydrophobicContact CB-CD1 4.14Å; L88-I118 HydrophobicContact CD2-CD1 3.63Å; L88-I118 HydrophobicContact CG-CD1 4.49Å |
| 89 | G | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L85 L86 S93 | L85-G89 PolarHBondContact O-N 3.27Å; L86-G89 PolarHBondContact O-N 2.85Å; G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 3.09Å; G89-S93 PolarHBondContact O-OG 3.25Å |
| 90 | H | 97.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -56 | 174.2 | 176.9 | 74.9 | 0 | 0 | 0 | 111.5 | Y38 L86 A87 L88 L92 S93 E94 | Y38-H90 AromaticContact CE1-NE2 3.81Å; Y38-H90 AromaticContact CZ-NE2 3.95Å; Y38-H90 PolarHBondContact OH-NE2 3.13Å; L86-H90 WeakPolarHBondContact O-CB 3.36Å; L86-H90 PolarHBondContact O-N 3.49Å; A87-H90 PolarHBondContact O-N 3.19Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-H90 PolarHBondContact O-N 3.22Å; H90-L92 VanDerWaalsContact C-N 3.31Å; H90-L92 PolarHBondContact O-N 2.91Å; H90-S93 PolarHBondContact O-N 2.92Å; H90-S93 PolarHBondContact O-OG 3.38Å; H90-E94 IonicContact CE1-OE1 3.41Å; H90-E94 PolarHBondContact CE1-OE1 3Å; H90-E94 IonicContact ND1-OE1 3.47Å; H90-E94 IonicContact NE2-OE1 2.75Å; H90-E94 VanDerWaalsContact O-CG 3.3Å; H90-E94 WeakPolarHBondContact O-CG 3.38Å; H90-E94 PolarHBondContact O-N 3.43Å |
| 91 | F | 96.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -30.7 | -177.4 | -74.5 | -63.6 | 0 | 0 | 0 | 113.2 | L37 F53 A87 L88 L95 V107 P110 L111 | L37-F91 HydrophobicContact CB-CE1 4.41Å; L37-F91 HydrophobicContact CD1-CE1 4.16Å; L37-F91 HydrophobicContact CD1-CZ 4.14Å; L37-F91 HydrophobicContact CD2-CE1 3.93Å; L37-F91 HydrophobicContact CD2-CZ 4.21Å; L37-F91 HydrophobicContact CG-CE1 4.41Å; F53-F91 HydrophobicContact CE2-CZ 4.24Å; F53-F91 HydrophobicContact CZ-CZ 4.1Å; A87-F91 WeakPolarHBondContact O-CD2 3.39Å; A87-F91 PolarHBondContact O-N 3.13Å; L88-F91 PolarHBondContact O-N 3.46Å; F91-L95 WeakPolarHBondContact O-CG 3.43Å; F91-L95 PolarHBondContact O-N 3.42Å; F91-L95 VanDerWaalsContact O-N 3.17Å; F91-V107 HydrophobicContact CD1-CG1 4.24Å; F91-P110 HydrophobicContact CD2-CB 3.98Å; F91-P110 HydrophobicContact CD2-CG 4.16Å; F91-P110 HydrophobicContact CE1-CG 4.4Å; F91-P110 HydrophobicContact CE2-CB 3.65Å; F91-P110 HydrophobicContact CE2-CG 3.91Å; F91-P110 HydrophobicContact CZ-CB 4.2Å; F91-P110 HydrophobicContact CZ-CG 4.03Å; F91-L111 HydrophobicContact CB-CD2 3.54Å; F91-L111 HydrophobicContact CB-CG 3.94Å |
| 92 | L | 97.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 172.6 | -71 | 175.2 | 0 | 0 | 0 | 112 | L88 H90 E94 L95 F96 L111 | L88-L92 HydrophobicContact CD1-CD1 4.14Å; L88-L92 HydrophobicContact CD1-CG 4.36Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 2.7Å; H90-L92 VanDerWaalsContact C-N 3.31Å; H90-L92 PolarHBondContact O-N 2.91Å; L92-E94 VanDerWaalsContact C-N 3.35Å; L92-L95 PolarHBondContact O-N 2.71Å; L92-F96 HydrophobicContact CB-CD2 4.49Å; L92-F96 HydrophobicContact CD2-CD2 4.13Å; L92-F96 HydrophobicContact CD2-CE2 3.72Å; L92-F96 WeakPolarHBondContact O-CD2 3.39Å; L92-F96 PolarHBondContact O-N 2.86Å; L92-L111 HydrophobicContact CD2-CD2 3.94Å; L92-L111 HydrophobicContact CG-CD2 3.9Å |
| 93 | S | 97.9 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 177.4 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | G89 H90 L95 V97 Y98 | G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 3.09Å; G89-S93 PolarHBondContact O-OG 3.25Å; H90-S93 PolarHBondContact O-N 2.92Å; H90-S93 PolarHBondContact O-OG 3.38Å; S93-L95 VanDerWaalsContact C-N 3.32Å; S93-L95 PolarHBondContact O-N 3.07Å; S93-V97 WeakPolarHBondContact O-CA 3.41Å; S93-V97 VanDerWaalsContact O-CB 3.29Å; S93-V97 WeakPolarHBondContact O-CB 3.32Å; S93-V97 PolarHBondContact O-N 2.89Å; S93-Y98 WeakPolarHBondContact O-CD2 3.33Å; S93-Y98 PolarHBondContact O-N 3.3Å |
| 94 | E | 97.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 175.9 | -64.6 | -62.6 | -178.9 | 0 | 0 | 113.3 | Y38 H90 L92 Y98 G99 T100 A101 | Y38-E94 HydrophobicContact CE1-CG 4.13Å; H90-E94 IonicContact CE1-OE1 3.41Å; H90-E94 PolarHBondContact CE1-OE1 3Å; H90-E94 IonicContact ND1-OE1 3.47Å; H90-E94 IonicContact NE2-OE1 2.75Å; H90-E94 VanDerWaalsContact O-CG 3.3Å; H90-E94 WeakPolarHBondContact O-CG 3.38Å; H90-E94 PolarHBondContact O-N 3.43Å; L92-E94 VanDerWaalsContact C-N 3.35Å; E94-Y98 WeakPolarHBondContact OE2-CB 3.28Å; E94-G99 CarbonylContact O-C 3.53Å; E94-G99 VanDerWaalsContact O-CA 3.31Å; E94-G99 WeakPolarHBondContact O-CA 3.49Å; E94-G99 PolarHBondContact O-N 3.19Å; E94-T100 VanDerWaalsContact CD-OG1 3.24Å; E94-T100 PolarHBondContact O-N 3.39Å; E94-T100 WeakPolarHBondContact OE2-CB 3.43Å; E94-T100 VanDerWaalsContact OE2-CG2 3.32Å; E94-T100 WeakPolarHBondContact OE2-CG2 3.25Å; E94-T100 PolarHBondContact OE2-OG1 3.42Å; E94-A101 HydrophobicContact CB-CB 3.87Å; E94-A101 PolarHBondContact O-N 3.05Å |
| 95 | L | 95.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.4 | -49.7 | 175.7 | -78.8 | 173.2 | 0 | 0 | 0 | 112.8 | F91 L92 S93 A101 A102 P103 V107 L111 | F91-L95 WeakPolarHBondContact O-CG 3.43Å; F91-L95 PolarHBondContact O-N 3.42Å; F91-L95 VanDerWaalsContact O-N 3.17Å; L92-L95 PolarHBondContact O-N 2.71Å; S93-L95 VanDerWaalsContact C-N 3.32Å; S93-L95 PolarHBondContact O-N 3.07Å; L95-A101 HydrophobicContact CD2-CB 3.9Å; L95-A101 HydrophobicContact CG-CB 4.13Å; L95-A102 VanDerWaalsContact CD2-C 3.44Å; L95-P103 HydrophobicContact CD2-CB 4.41Å; L95-V107 HydrophobicContact CD1-CG1 3.89Å; L95-V107 HydrophobicContact CD2-CG1 4.01Å; L95-V107 HydrophobicContact CG-CG1 3.94Å; L95-L111 HydrophobicContact CD1-CD1 3.5Å |
| 96 | F | 96.7 | Very high | 95.7 | Very high | 163 Ų | 163 | 56.6 Ų | 56.6 | 72% | 0.715 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -103.8 | -18.1 | -165.1 | -63.4 | -66 | 0 | 0 | 0 | 114.5 | L92 | L92-F96 HydrophobicContact CB-CD2 4.49Å; L92-F96 HydrophobicContact CD2-CD2 4.13Å; L92-F96 HydrophobicContact CD2-CE2 3.72Å; L92-F96 WeakPolarHBondContact O-CD2 3.39Å; L92-F96 PolarHBondContact O-N 2.86Å |
| 97 | V | 97.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 66% | 0.655 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -56.8 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | S93 | S93-V97 WeakPolarHBondContact O-CA 3.41Å; S93-V97 VanDerWaalsContact O-CB 3.29Å; S93-V97 WeakPolarHBondContact O-CB 3.32Å; S93-V97 PolarHBondContact O-N 2.89Å |
| 98 | Y | 96.7 | Very high | 95.2 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -87.9 | -21.6 | -173.6 | -56.1 | -61.5 | 0 | 0 | 0 | 113.4 | K41 S93 E94 T100 | K41-Y98 PolarHBondContact NZ-O 3.24Å; S93-Y98 WeakPolarHBondContact O-CD2 3.33Å; S93-Y98 PolarHBondContact O-N 3.3Å; E94-Y98 WeakPolarHBondContact OE2-CB 3.28Å; Y98-T100 PolarHBondContact O-N 2.98Å |
| 99 | G | 94.7 | Very high | 95.1 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | trans | 59.3 | 29.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E94 | E94-G99 CarbonylContact O-C 3.53Å; E94-G99 VanDerWaalsContact O-CA 3.31Å; E94-G99 WeakPolarHBondContact O-CA 3.49Å; E94-G99 PolarHBondContact O-N 3.19Å | ||
| 100 | T | 95.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | trans | -86.6 | -20.5 | 174.7 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | Y38 T39 G40 K41 L44 E94 Y98 | Y38-T100 CarbonylContact C-O 3.54Å; Y38-T100 WeakPolarHBondContact CA-O 3.45Å; Y38-T100 WeakPolarHBondContact CD1-OG1 3.49Å; T39-T100 PolarHBondContact N-O 3.02Å; G40-T100 WeakPolarHBondContact CA-O 3.21Å; G40-T100 PolarHBondContact N-O 2.94Å; K41-T100 HydrophobicContact CB-CG2 4.49Å; K41-T100 HydrophobicContact CD-CG2 4.32Å; K41-T100 PolarHBondContact N-O 2.88Å; L44-T100 HydrophobicContact CD1-CG2 4.26Å; E94-T100 VanDerWaalsContact CD-OG1 3.24Å; E94-T100 PolarHBondContact O-N 3.39Å; E94-T100 WeakPolarHBondContact OE2-CB 3.43Å; E94-T100 VanDerWaalsContact OE2-CG2 3.32Å; E94-T100 WeakPolarHBondContact OE2-CG2 3.25Å; E94-T100 PolarHBondContact OE2-OG1 3.42Å; Y98-T100 PolarHBondContact O-N 2.98Å | ||
| 101 | A | 94.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -106.8 | 144.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L37 E94 L95 V107 | L37-A101 WeakPolarHBondContact O-CB 3.43Å; E94-A101 HydrophobicContact CB-CB 3.87Å; E94-A101 PolarHBondContact O-N 3.05Å; L95-A101 HydrophobicContact CD2-CB 3.9Å; L95-A101 HydrophobicContact CG-CB 4.13Å; A101-V107 HydrophobicContact CB-CG1 4.26Å; A101-V107 HydrophobicContact CB-CG2 4.04Å |
| 102 | A | 92 | Very high | 94.8 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | trans | -105.8 | 156.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T39 L95 T104 V107 | T39-A102 PolarHBondContact OG1-N 2.95Å; L95-A102 VanDerWaalsContact CD2-C 3.44Å; A102-T104 HydrophobicContact CB-CG2 4.06Å; A102-T104 PolarHBondContact O-N 2.97Å; A102-V107 WeakPolarHBondContact O-CG2 3.34Å | ||
| 103 | P | 92.1 | Very high | 94.8 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 66% | 0.662 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.3 | 59.4 | -179.1 | 32.2 | -37.2 | 0 | 0 | 0 | 112.1 | L95 | L95-P103 HydrophobicContact CD2-CB 4.41Š|
| 104 | T | 92.5 | Very high | 94.9 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | trans | -89.7 | 163.1 | 177.3 | 66 | 0 | 0 | 0 | 0 | 110.2 | A102 G106 V107 L108 | A102-T104 HydrophobicContact CB-CG2 4.06Å; A102-T104 PolarHBondContact O-N 2.97Å; T104-G106 PolarHBondContact O-N 3.05Å; T104-G106 VanDerWaalsContact O-N 3.13Å; T104-V107 PolarHBondContact O-N 2.88Å; T104-L108 WeakPolarHBondContact O-CG 3.34Å; T104-L108 PolarHBondContact O-N 3.42Å | ||
| 105 | I | 90.8 | Very high | 94.9 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 70% | 0.697 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -54.6 | -33.1 | 175.5 | -168.1 | 64 | 0 | 0 | 0 | 112.6 | V107 A109 | I105-V107 VanDerWaalsContact C-N 3.31Å; I105-V107 PolarHBondContact O-N 3.43Å; I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.27Å; I105-A109 PolarHBondContact O-N 3.36Å |
| 106 | G | 90.7 | Very high | 95 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -30.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K36 L37 T104 P110 | K36-G106 CarbonylContact O-C 2.94Å; K36-G106 WeakPolarHBondContact O-CA 3.43Å; L37-G106 VanDerWaalsContact CD2-O 3.25Å; L37-G106 WeakPolarHBondContact CD2-O 3.31Å; T104-G106 PolarHBondContact O-N 3.05Å; T104-G106 VanDerWaalsContact O-N 3.13Å; G106-P110 WeakPolarHBondContact O-CD 3.49Å; G106-P110 WeakPolarHBondContact O-CG 3.38Å |
| 107 | V | 92.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -93 | -35.9 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L37 F91 L95 A101 A102 T104 I105 A109 P110 L111 | L37-V107 WeakPolarHBondContact O-CG2 3.37Å; F91-V107 HydrophobicContact CD1-CG1 4.24Å; L95-V107 HydrophobicContact CD1-CG1 3.89Å; L95-V107 HydrophobicContact CD2-CG1 4.01Å; L95-V107 HydrophobicContact CG-CG1 3.94Å; A101-V107 HydrophobicContact CB-CG1 4.26Å; A101-V107 HydrophobicContact CB-CG2 4.04Å; A102-V107 WeakPolarHBondContact O-CG2 3.34Å; T104-V107 PolarHBondContact O-N 2.88Å; I105-V107 VanDerWaalsContact C-N 3.31Å; I105-V107 PolarHBondContact O-N 3.43Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 3.23Å; V107-P110 WeakPolarHBondContact O-CD 3.3Å; V107-P110 VanDerWaalsContact O-CG 3.24Å; V107-P110 WeakPolarHBondContact O-CG 3.49Å; V107-L111 HydrophobicContact CG1-CD1 4.09Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å |
| 108 | L | 94 | Very high | 95.2 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 178 | -67.6 | 176.5 | 0 | 0 | 0 | 112.3 | T104 L111 M112 | T104-L108 WeakPolarHBondContact O-CG 3.34Å; T104-L108 PolarHBondContact O-N 3.42Å; L108-L111 HydrophobicContact CD2-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.02Å; L108-M112 WeakPolarHBondContact O-CG 3.41Å; L108-M112 PolarHBondContact O-N 3.22Å |
| 109 | A | 94.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.1 | -55.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I105 V107 L111 M112 V113 | I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.27Å; I105-A109 PolarHBondContact O-N 3.36Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 3.23Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.06Å; A109-M112 PolarHBondContact O-N 3.16Å; A109-V113 WeakPolarHBondContact O-CG2 3.25Å; A109-V113 PolarHBondContact O-N 2.95Å |
| 110 | P | 94.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 177.5 | 23.1 | -32.2 | 0 | 0 | 0 | 113 | L37 F91 G106 V107 A114 | L37-P110 HydrophobicContact CD2-CG 4.36Å; F91-P110 HydrophobicContact CD2-CB 3.98Å; F91-P110 HydrophobicContact CD2-CG 4.16Å; F91-P110 HydrophobicContact CE1-CG 4.4Å; F91-P110 HydrophobicContact CE2-CB 3.65Å; F91-P110 HydrophobicContact CE2-CG 3.91Å; F91-P110 HydrophobicContact CZ-CB 4.2Å; F91-P110 HydrophobicContact CZ-CG 4.03Å; G106-P110 WeakPolarHBondContact O-CD 3.49Å; G106-P110 WeakPolarHBondContact O-CG 3.38Å; V107-P110 WeakPolarHBondContact O-CD 3.3Å; V107-P110 VanDerWaalsContact O-CG 3.24Å; V107-P110 WeakPolarHBondContact O-CG 3.49Å; P110-A114 VanDerWaalsContact O-CB 3.27Å; P110-A114 WeakPolarHBondContact O-CB 3.14Å; P110-A114 PolarHBondContact O-N 2.83Å |
| 111 | L | 96.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -51.4 | 172.8 | -74.1 | 170.1 | 0 | 0 | 0 | 111.6 | L88 F91 L92 L95 V107 L108 A109 V113 A114 S115 | L88-L111 HydrophobicContact CD1-CD2 3.68Å; F91-L111 HydrophobicContact CB-CD2 3.54Å; F91-L111 HydrophobicContact CB-CG 3.94Å; L92-L111 HydrophobicContact CD2-CD2 3.94Å; L92-L111 HydrophobicContact CG-CD2 3.9Å; L95-L111 HydrophobicContact CD1-CD1 3.5Å; V107-L111 HydrophobicContact CG1-CD1 4.09Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å; L108-L111 HydrophobicContact CD2-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.02Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.06Å; L111-V113 PolarHBondContact O-N 3.38Å; L111-A114 PolarHBondContact O-N 2.85Å; L111-S115 PolarHBondContact O-N 2.83Å; L111-S115 PolarHBondContact O-OG 3.49Å; L111-S115 VanDerWaalsContact O-OG 3.06Å |
| 112 | M | 96.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.1 | -72.9 | -173.1 | -68.3 | 0 | 0 | 111.8 | L108 A109 A114 S115 F116 | L108-M112 WeakPolarHBondContact O-CG 3.41Å; L108-M112 PolarHBondContact O-N 3.22Å; A109-M112 PolarHBondContact O-N 3.16Å; M112-A114 VanDerWaalsContact C-N 3.32Å; M112-A114 PolarHBondContact O-N 3.05Å; M112-S115 PolarHBondContact O-N 2.9Å; M112-F116 HydrophobicContact CB-CD2 4.4Å; M112-F116 HydrophobicContact CB-CE2 4.17Å; M112-F116 WeakPolarHBondContact O-CD2 3.31Å; M112-F116 WeakPolarHBondContact O-CG 3.37Å; M112-F116 PolarHBondContact O-N 2.86Å |
| 113 | V | 97.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | W11 V15 A109 L111 S117 | W11-V113 HydrophobicContact CZ2-CG1 4.21Å; V15-V113 HydrophobicContact CB-CG1 4.29Å; V15-V113 HydrophobicContact CG1-CG1 3.74Å; A109-V113 WeakPolarHBondContact O-CG2 3.25Å; A109-V113 PolarHBondContact O-N 2.95Å; L111-V113 PolarHBondContact O-N 3.38Å; V113-S117 VanDerWaalsContact O-CB 3.23Å; V113-S117 WeakPolarHBondContact O-CB 3.36Å; V113-S117 PolarHBondContact O-N 3.4Å; V113-S117 PolarHBondContact O-OG 2.9Å |
| 114 | A | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L88 P110 L111 M112 S117 I118 | L88-A114 HydrophobicContact CB-CB 3.99Å; L88-A114 HydrophobicContact CD1-CB 4.32Å; P110-A114 VanDerWaalsContact O-CB 3.27Å; P110-A114 WeakPolarHBondContact O-CB 3.14Å; P110-A114 PolarHBondContact O-N 2.83Å; L111-A114 PolarHBondContact O-N 2.85Å; M112-A114 VanDerWaalsContact C-N 3.32Å; M112-A114 PolarHBondContact O-N 3.05Å; A114-S117 PolarHBondContact O-N 3.37Å; A114-I118 WeakPolarHBondContact O-CD1 3.39Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.92Å |
| 115 | S | 98.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 178.7 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | L111 M112 S117 I118 L119 | L111-S115 PolarHBondContact O-N 2.83Å; L111-S115 PolarHBondContact O-OG 3.49Å; L111-S115 VanDerWaalsContact O-OG 3.06Å; M112-S115 PolarHBondContact O-N 2.9Å; S115-S117 VanDerWaalsContact C-N 3.32Å; S115-S117 PolarHBondContact O-N 3.39Å; S115-I118 PolarHBondContact O-N 3.4Å; S115-L119 WeakPolarHBondContact O-CG 3.12Å; S115-L119 PolarHBondContact O-N 3.22Å |
| 116 | F | 98.1 | Very high | 96.4 | Very high | 127 Ų | 127 | 46.9 Ų | 46.9 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.2 | -37 | 177.8 | -67.1 | -44.2 | 0 | 0 | 0 | 112.3 | W11 M112 L119 G120 | W11-F116 HydrophobicContact CZ2-CB 4.46Å; M112-F116 HydrophobicContact CB-CD2 4.4Å; M112-F116 HydrophobicContact CB-CE2 4.17Å; M112-F116 WeakPolarHBondContact O-CD2 3.31Å; M112-F116 WeakPolarHBondContact O-CG 3.37Å; M112-F116 PolarHBondContact O-N 2.86Å; F116-L119 PolarHBondContact O-N 3.23Å; F116-G120 PolarHBondContact O-N 3.42Å |
| 117 | S | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | W11 F84 V113 A114 S115 G120 M121 | W11-S117 PolarHBondContact NE1-OG 3.35Å; F84-S117 VanDerWaalsContact CE1-CB 3.47Å; F84-S117 VanDerWaalsContact CE1-OG 3.31Å; F84-S117 WeakPolarHBondContact CE1-OG 3.36Å; V113-S117 VanDerWaalsContact O-CB 3.23Å; V113-S117 WeakPolarHBondContact O-CB 3.36Å; V113-S117 PolarHBondContact O-N 3.4Å; V113-S117 PolarHBondContact O-OG 2.9Å; A114-S117 PolarHBondContact O-N 3.37Å; S115-S117 VanDerWaalsContact C-N 3.32Å; S115-S117 PolarHBondContact O-N 3.39Å; S117-G120 PolarHBondContact O-N 3.19Å; S117-M121 VanDerWaalsContact O-CB 3.26Å; S117-M121 WeakPolarHBondContact O-CB 3.41Å; S117-M121 VanDerWaalsContact O-CG 3.22Å; S117-M121 WeakPolarHBondContact O-CG 3.43Å; S117-M121 PolarHBondContact O-N 3.19Å |
| 118 | I | 98.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 176.2 | -70.8 | 156.9 | 0 | 0 | 0 | 110 | L81 F84 L85 L88 A114 S115 G120 M121 L122 | L81-I118 HydrophobicContact CD1-CB 4.36Å; L81-I118 HydrophobicContact CD1-CG1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.19Å; F84-I118 HydrophobicContact CB-CD1 4.18Å; F84-I118 HydrophobicContact CB-CG1 3.69Å; L85-I118 HydrophobicContact CD2-CD1 3.89Å; L85-I118 HydrophobicContact CD2-CG1 4.25Å; L85-I118 HydrophobicContact CD2-CG2 4.47Å; L85-I118 HydrophobicContact CG-CD1 4.38Å; L85-I118 HydrophobicContact CG-CG1 4.44Å; L88-I118 HydrophobicContact CB-CD1 4.14Å; L88-I118 HydrophobicContact CD2-CD1 3.63Å; L88-I118 HydrophobicContact CG-CD1 4.49Å; A114-I118 WeakPolarHBondContact O-CD1 3.39Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.92Å; S115-I118 PolarHBondContact O-N 3.4Å; I118-G120 PolarHBondContact O-N 2.5Å; I118-M121 PolarHBondContact O-N 3.36Å; I118-L122 HydrophobicContact CG2-CD1 3.81Å; I118-L122 HydrophobicContact CG2-CG 4.27Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 VanDerWaalsContact O-CG 3.27Å; I118-L122 WeakPolarHBondContact O-CG 3.33Å; I118-L122 PolarHBondContact O-N 3.29Å |
| 119 | L | 98.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 51.7 Ų | 51.7 | 56% | 0.555 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.4 | -48.8 | 179.2 | -71 | 172.8 | 0 | 0 | 0 | 111.7 | S115 F116 M121 L122 V123 | S115-L119 WeakPolarHBondContact O-CG 3.12Å; S115-L119 PolarHBondContact O-N 3.22Å; F116-L119 PolarHBondContact O-N 3.23Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.43Å; L119-L122 PolarHBondContact O-N 2.79Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.25Å |
| 120 | G | 98 | Very high | 95.7 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F4 F116 S117 I118 G124 | F4-G120 WeakPolarHBondContact CE1-O 3.49Å; F4-G120 WeakPolarHBondContact CZ-O 3.23Å; F116-G120 PolarHBondContact O-N 3.42Å; S117-G120 PolarHBondContact O-N 3.19Å; I118-G120 PolarHBondContact O-N 2.5Å; G120-G124 PolarHBondContact O-N 2.83Å |
| 121 | M | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 178 | -73.7 | -168.8 | 77.8 | 0 | 0 | 112.8 | L8 L12 Y77 T80 L81 F84 S117 I118 L119 V123 G124 L125 | L8-M121 HydrophobicContact CD1-CG 4.07Å; L8-M121 HydrophobicContact CD2-CG 4.3Å; L12-M121 HydrophobicContact CD2-SD 4.28Å; Y77-M121 HydrophobicContact CD1-CE 3.7Å; Y77-M121 HydrophobicContact CD2-CE 4.18Å; Y77-M121 HydrophobicContact CE1-CB 4Å; Y77-M121 HydrophobicContact CE1-CE 3.63Å; Y77-M121 HydrophobicContact CE1-CG 4.48Å; Y77-M121 VanDerWaalsContact CE1-O 3.25Å; Y77-M121 WeakPolarHBondContact CE1-O 3.32Å; Y77-M121 HydrophobicContact CE2-CE 4.13Å; Y77-M121 HydrophobicContact CG-CE 3.99Å; Y77-M121 VanDerWaalsContact O-CE 3.22Å; Y77-M121 WeakPolarHBondContact O-CE 3.44Å; Y77-M121 VanDerWaalsContact OH-C 3.28Å; Y77-M121 WeakPolarHBondContact OH-CA 3.49Å; Y77-M121 PolarHBondContact OH-O 3.06Å; T80-M121 HydrophobicContact CG2-CE 3.79Å; T80-M121 HydrophobicContact CG2-SD 3.88Å; L81-M121 HydrophobicContact CB-CE 4.07Å; L81-M121 HydrophobicContact CB-SD 4.32Å; L81-M121 HydrophobicContact CD1-CB 4Å; F84-M121 HydrophobicContact CD2-SD 3.72Å; F84-M121 HydrophobicContact CE2-SD 3.71Å; S117-M121 VanDerWaalsContact O-CB 3.26Å; S117-M121 WeakPolarHBondContact O-CB 3.41Å; S117-M121 VanDerWaalsContact O-CG 3.22Å; S117-M121 WeakPolarHBondContact O-CG 3.43Å; S117-M121 PolarHBondContact O-N 3.19Å; I118-M121 PolarHBondContact O-N 3.36Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.43Å; M121-V123 VanDerWaalsContact C-N 3.35Å; M121-V123 PolarHBondContact O-N 2.97Å; M121-G124 PolarHBondContact O-N 3.34Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 PolarHBondContact O-N 3.14Å |
| 122 | L | 97.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 40% | 0.403 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.5 | -71.4 | 173.6 | 0 | 0 | 0 | 111.6 | L81 I118 L119 L125 R126 | L81-L122 HydrophobicContact CD2-CD2 4.01Å; I118-L122 HydrophobicContact CG2-CD1 3.81Å; I118-L122 HydrophobicContact CG2-CG 4.27Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 VanDerWaalsContact O-CG 3.27Å; I118-L122 WeakPolarHBondContact O-CG 3.33Å; I118-L122 PolarHBondContact O-N 3.29Å; L119-L122 PolarHBondContact O-N 2.79Å; L122-L125 PolarHBondContact O-N 3.35Å; L122-R126 PolarHBondContact O-N 3.1Å |
| 123 | V | 96.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 173 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F4 L119 M121 L125 R126 Y127 | F4-V123 HydrophobicContact CE1-CB 4.29Å; F4-V123 HydrophobicContact CE1-CG1 4.02Å; F4-V123 HydrophobicContact CE2-CG1 3.97Å; F4-V123 HydrophobicContact CZ-CB 3.82Å; F4-V123 HydrophobicContact CZ-CG1 3.62Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.25Å; M121-V123 VanDerWaalsContact C-N 3.35Å; M121-V123 PolarHBondContact O-N 2.97Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.2Å; V123-R126 PolarHBondContact O-N 3.27Å; V123-Y127 HydrophobicContact CG1-CD2 4.45Å; V123-Y127 HydrophobicContact CG1-CE2 3.71Å; V123-Y127 PolarHBondContact O-N 3.3Å |
| 124 | G | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y77 G120 M121 R126 Y127 L128 | Y77-G124 VanDerWaalsContact OH-C 3.26Å; Y77-G124 VanDerWaalsContact OH-CA 3.25Å; Y77-G124 WeakPolarHBondContact OH-CA 3.39Å; G120-G124 PolarHBondContact O-N 2.83Å; M121-G124 PolarHBondContact O-N 3.34Å; G124-R126 VanDerWaalsContact C-N 3.34Å; G124-R126 PolarHBondContact O-N 2.9Å; G124-Y127 WeakPolarHBondContact O-CB 3.3Å; G124-Y127 PolarHBondContact O-N 3.11Å; G124-Y127 VanDerWaalsContact O-N 3.09Å; G124-L128 WeakPolarHBondContact O-CG 3.34Å; G124-L128 PolarHBondContact O-N 3.22Å |
| 125 | L | 95.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 178.3 | -176.6 | 60.8 | 0 | 0 | 0 | 110.9 | Y77 M121 L122 V123 Y127 L128 E129 | Y77-L125 HydrophobicContact CD1-CD1 4.05Å; Y77-L125 HydrophobicContact CE1-CB 3.84Å; Y77-L125 HydrophobicContact CE1-CD1 4.21Å; Y77-L125 PolarHBondContact OH-N 3.12Å; Y77-L125 VanDerWaalsContact OH-N 3.16Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 PolarHBondContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 3.35Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.2Å; L125-Y127 PolarHBondContact O-N 3.38Å; L125-L128 PolarHBondContact O-N 3.22Å; L125-L128 VanDerWaalsContact O-N 3.08Å; L125-E129 WeakPolarHBondContact O-CG 3.33Å; L125-E129 PolarHBondContact O-N 3.29Å |
| 126 | R | 94.3 | Very high | 87.4 | Confident | 185 Ų | 185 | 67.3 Ų | 67.3 | 70% | 0.698 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.7 | -37.2 | 175.4 | -65.1 | -179.5 | 179.9 | -170.6 | -0.2 | 112 | L122 V123 G124 E129 V130 | L122-R126 PolarHBondContact O-N 3.1Å; V123-R126 PolarHBondContact O-N 3.27Å; G124-R126 VanDerWaalsContact C-N 3.34Å; G124-R126 PolarHBondContact O-N 2.9Å; R126-E129 PolarHBondContact O-N 3.32Å; R126-V130 WeakPolarHBondContact O-CG2 3.4Å; R126-V130 PolarHBondContact O-N 3.42Å |
| 127 | Y | 90.8 | Very high | 85.5 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 176.2 | -63.3 | -40.7 | 0 | 0 | 0 | 112.5 | M1 F4 V123 G124 L125 E129 V130 E131 | M1-Y127 HydrophobicContact CG-CD1 4.25Å; F4-Y127 HydrophobicContact CB-CD2 4.27Å; F4-Y127 HydrophobicContact CB-CE2 3.91Å; F4-Y127 AromaticContact CD1-CD2 3.55Å; F4-Y127 HydrophobicContact CD1-CD2 3.55Å; F4-Y127 AromaticContact CD1-CE2 3.53Å; F4-Y127 HydrophobicContact CD1-CE2 3.53Å; F4-Y127 HydrophobicContact CD2-CE2 4.19Å; F4-Y127 HydrophobicContact CE1-CD2 4.16Å; F4-Y127 HydrophobicContact CE1-CE2 4.09Å; F4-Y127 HydrophobicContact CG-CD2 4.03Å; F4-Y127 AromaticContact CG-CE2 3.59Å; F4-Y127 HydrophobicContact CG-CE2 3.59Å; V123-Y127 HydrophobicContact CG1-CD2 4.45Å; V123-Y127 HydrophobicContact CG1-CE2 3.71Å; V123-Y127 PolarHBondContact O-N 3.3Å; G124-Y127 WeakPolarHBondContact O-CB 3.3Å; G124-Y127 PolarHBondContact O-N 3.11Å; G124-Y127 VanDerWaalsContact O-N 3.09Å; L125-Y127 PolarHBondContact O-N 3.38Å; Y127-E129 PolarHBondContact O-N 2.89Å; Y127-V130 PolarHBondContact O-N 3.1Å; Y127-E131 PolarHBondContact O-N 3.04Å; Y127-E131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 90.9 | Very high | 83.8 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.8 | -25.2 | 177.2 | -67.4 | 174.8 | 0 | 0 | 0 | 112.9 | L5 I71 H72 Y77 G124 L125 P132 | L5-L128 HydrophobicContact CD1-CD2 3.75Å; L5-L128 HydrophobicContact CD1-CG 4.48Å; L5-L128 HydrophobicContact CD2-CD2 4.27Å; L5-L128 HydrophobicContact CD2-CG 4.22Å; I71-L128 VanDerWaalsContact O-CD1 3.23Å; I71-L128 WeakPolarHBondContact O-CD1 3.45Å; H72-L128 HydrophobicContact CB-CD2 4.42Å; H72-L128 VanDerWaalsContact ND1-CD2 3.32Å; H72-L128 WeakPolarHBondContact ND1-CD2 3.3Å; Y77-L128 HydrophobicContact CD2-CD1 3.5Å; Y77-L128 VanDerWaalsContact CD2-CD1 3.5Å; Y77-L128 HydrophobicContact CE2-CD1 3.53Å; Y77-L128 HydrophobicContact CG-CD1 4.06Å; G124-L128 WeakPolarHBondContact O-CG 3.34Å; G124-L128 PolarHBondContact O-N 3.22Å; L125-L128 PolarHBondContact O-N 3.22Å; L125-L128 VanDerWaalsContact O-N 3.08Å; L128-P132 VanDerWaalsContact O-CD 3.27Å; L128-P132 WeakPolarHBondContact O-CD 3.4Å |
| 129 | E | 89.3 | Confident | 82 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77 | -34.4 | 175 | -72 | 171.2 | 164.7 | 0 | 0 | 113 | L125 R126 Y127 P132 | L125-E129 WeakPolarHBondContact O-CG 3.33Å; L125-E129 PolarHBondContact O-N 3.29Å; R126-E129 PolarHBondContact O-N 3.32Å; Y127-E129 PolarHBondContact O-N 2.89Å; E129-P132 WeakPolarHBondContact O-CD 3.48Å |
| 130 | V | 86.1 | Confident | 80.2 | Confident | 75 Ų | 75 | 92.1 Ų | 92.1 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -80.9 | -27.4 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | M1 R126 Y127 V133 S134 | M1-V130 HydrophobicContact CE-CG1 4.07Å; R126-V130 WeakPolarHBondContact O-CG2 3.4Å; R126-V130 PolarHBondContact O-N 3.42Å; Y127-V130 PolarHBondContact O-N 3.1Å; V130-V133 PolarHBondContact O-N 3.1Å; V130-S134 PolarHBondContact O-N 3.29Å |
| 131 | E | 78.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 95.9 Ų | 95.9 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | -174.9 | -165.1 | 179 | 175.1 | 0 | 0 | 114.7 | H72 Y127 V133 S134 R135 | H72-E131 IonicContact CE1-OE1 3.06Å; H72-E131 IonicContact CE1-OE2 3.79Å; H72-E131 PolarHBondContact CE1-OE2 3.31Å; H72-E131 IonicContact ND1-OE2 3.99Å; H72-E131 PolarHBondContact ND1-OE2 2.98Å; H72-E131 VanDerWaalsContact ND1-OE2 3.09Å; Y127-E131 PolarHBondContact O-N 3.04Å; Y127-E131 VanDerWaalsContact O-N 3.12Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 3.18Å; E131-S134 PolarHBondContact O-N 2.9Å; E131-S134 VanDerWaalsContact O-N 3.15Å; E131-S134 PolarHBondContact O-OG 3.28Å; E131-R135 PolarHBondContact O-N 3.04Å; E131-R135 VanDerWaalsContact O-N 3.08Å; E131-R135 IonicContact OE1-CZ 3.19Å; E131-R135 IonicContact OE1-NE 3.86Å; E131-R135 PolarHBondContact OE1-NE 3.08Å; E131-R135 IonicContact OE1-NH2 3.09Å; E131-R135 PolarHBondContact OE1-NH2 3.14Å |
| 132 | P | 71.9 | Confident | 78.3 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 177.6 | -23.4 | 33.3 | 0 | 0 | 0 | 113.2 | L128 E129 S134 R135 Q136 | L128-P132 VanDerWaalsContact O-CD 3.27Å; L128-P132 WeakPolarHBondContact O-CD 3.4Å; E129-P132 WeakPolarHBondContact O-CD 3.48Å; P132-S134 VanDerWaalsContact C-N 3.33Å; P132-S134 PolarHBondContact O-N 3.1Å; P132-R135 PolarHBondContact O-N 2.92Å; P132-Q136 PolarHBondContact O-N 2.71Å; P132-Q136 VanDerWaalsContact O-N 3.13Å |
| 133 | V | 69.7 | Low | 77.2 | Confident | 97 Ų | 97 | 102.2 Ų | 102.2 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | V130 E131 Q136 K137 | V130-V133 PolarHBondContact O-N 3.1Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 3.18Å; V133-Q136 PolarHBondContact O-N 2.9Å; V133-K137 PolarHBondContact O-N 2.92Å; V133-K137 VanDerWaalsContact O-N 3.15Å |
| 134 | S | 64.5 | Low | 76 | Confident | 48 Ų | 48 | 104.8 Ų | 104.8 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 178.4 | 77 | 0 | 0 | 0 | 0 | 113.2 | V130 E131 P132 K138 | V130-S134 PolarHBondContact O-N 3.29Å; E131-S134 PolarHBondContact O-N 2.9Å; E131-S134 VanDerWaalsContact O-N 3.15Å; E131-S134 PolarHBondContact O-OG 3.28Å; P132-S134 VanDerWaalsContact C-N 3.33Å; P132-S134 PolarHBondContact O-N 3.1Å; S134-K138 PolarHBondContact O-N 2.99Å |
| 135 | R | 65.5 | Low | 74.8 | Confident | 152 Ų | 152 | 111.3 Ų | 111.3 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.8 | -34.9 | 177.8 | -71.2 | -171.2 | -172.5 | -170.3 | 4.3 | 112 | E131 P132 | E131-R135 PolarHBondContact O-N 3.04Å; E131-R135 VanDerWaalsContact O-N 3.08Å; E131-R135 IonicContact OE1-CZ 3.19Å; E131-R135 IonicContact OE1-NE 3.86Å; E131-R135 PolarHBondContact OE1-NE 3.08Å; E131-R135 IonicContact OE1-NH2 3.09Å; E131-R135 PolarHBondContact OE1-NH2 3.14Å; P132-R135 PolarHBondContact O-N 2.92Å |
| 136 | Q | 57.9 | Low | 73.4 | Confident | 135 Ų | 135 | 117.3 Ų | 117.3 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 173.2 | -77.6 | -177.7 | -36.9 | 0 | 0 | 111.9 | P132 V133 K138 R139 N140 | P132-Q136 PolarHBondContact O-N 2.71Å; P132-Q136 VanDerWaalsContact O-N 3.13Å; V133-Q136 PolarHBondContact O-N 2.9Å; Q136-K138 PolarHBondContact O-N 3.22Å; Q136-R139 PolarHBondContact O-N 3.12Å; Q136-N140 PolarHBondContact O-N 3.17Å |
| 137 | K | 57.2 | Low | 71.9 | Confident | 173 Ų | 173 | 112.4 Ų | 112.4 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -23.1 | 179 | -167.2 | 173 | -178.3 | 178.9 | 0 | 114 | V133 | V133-K137 PolarHBondContact O-N 2.92Å; V133-K137 VanDerWaalsContact O-N 3.15Å |
| 138 | K | 62.1 | Low | 70.4 | Confident | 184 Ų | 184 | 114.6 Ų | 114.6 | 80% | 0.8 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -14.2 | 173.9 | -75.2 | -174.7 | 177.5 | -174.5 | 0 | 114.1 | S134 Q136 | S134-K138 PolarHBondContact O-N 2.99Å; Q136-K138 PolarHBondContact O-N 3.22Å |
| 139 | R | 62.6 | Low | 68.7 | Low | 222 Ų | 222 | 123.7 Ų | 123.7 | 84% | 0.838 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -15.6 | 179.3 | -70.2 | 178.5 | 84.2 | -177.2 | 6.2 | 113 | Q136 | Q136-R139 PolarHBondContact O-N 3.12Š|
| 140 | N | 59.3 | Low | 66.8 | Low | 195 Ų | 195 | 125.7 Ų | 125.7 | 100% | 1.043 | 60% | 0.6 | S | S | * | * | trans | -98.5 | 0 | 172.5 | -63.3 | -1.6 | 0 | 0 | 0 | 109.6 | Q136 | Q136-N140 PolarHBondContact O-N 3.17Š|
Retrieved 140 of 140 residues in 78.5 ms
(Link to these results)