| 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 | 50.1 | Low | 81.4 | Confident | 212 Ų | 212 | 76.8 Ų | 76.8 | 100% | 1.044 | 42% | 0.422 | S | S | * | . | 0 | 126 | 0 | -164.3 | -177.6 | -75.7 | 0 | 0 | 107.7 | F3 | M1-F3 HydrophobicContact CG-CB 4.3Š| |||
| 2 | V | 65.2 | Low | 82.7 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | trans | -99.2 | -2.6 | -175.8 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | R4 D67 L70 N126 | V2-R4 WeakPolarHBondContact O-CD 3.27Å; V2-R4 WeakPolarHBondContact O-CG 3.47Å; V2-R4 PolarHBondContact O-N 3.39Å; V2-R4 PolarHBondContact O-NE 3.41Å; V2-D67 HydrophobicContact CG2-CB 4.05Å; V2-L70 HydrophobicContact CG1-CD1 4.04Å; V2-L70 HydrophobicContact CG2-CD1 3.78Å; V2-L70 HydrophobicContact CG2-CG 4.49Å; V2-N126 WeakPolarHBondContact CG1-OD1 3.47Å | ||
| 3 | F | 67.8 | Low | 83.7 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | trans | -57.3 | 127.3 | 179 | -165.6 | -99.6 | 0 | 0 | 0 | 111.1 | M1 V10 V13 N125 | M1-F3 HydrophobicContact CG-CB 4.3Å; F3-V10 HydrophobicContact CE1-CG2 4.05Å; F3-V10 HydrophobicContact CZ-CG2 4.14Å; F3-V13 HydrophobicContact CE2-CG2 4.35Å; F3-N125 HydrophobicContact CE2-CB 4Å | ||
| 4 | R | 77.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | trans | -101.2 | 143.6 | -175.2 | -59.1 | -56.3 | 177.1 | 171.5 | 0.2 | 109.7 | V2 D6 C110 N125 | V2-R4 WeakPolarHBondContact O-CD 3.27Å; V2-R4 WeakPolarHBondContact O-CG 3.47Å; V2-R4 PolarHBondContact O-N 3.39Å; V2-R4 PolarHBondContact O-NE 3.41Å; R4-D6 WeakPolarHBondContact CB-OD1 3.42Å; R4-D6 PolarHBondContact O-N 3.4Å; R4-C110 PolarHBondContact NH2-O 2.78Å; R4-C110 VanDerWaalsContact NH2-O 3.12Å; R4-N125 PolarHBondContact O-ND2 3.29Å | ||
| 5 | L | 80.9 | Confident | 85.5 | Confident | 157 Ų | 157 | 70.7 Ų | 70.7 | 82% | 0.822 | 39% | 0.387 | S | S | * | . | trans | -91.5 | 34.9 | 177.6 | -65 | 172.9 | 0 | 0 | 0 | 111.3 | ||||
| 6 | D | 85.2 | Confident | 86.2 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | trans | -75.1 | 129.3 | 171.2 | 59.6 | -71.2 | 0 | 0 | 0 | 109.9 | R4 C8 G9 V10 N125 | R4-D6 WeakPolarHBondContact CB-OD1 3.42Å; R4-D6 PolarHBondContact O-N 3.4Å; D6-C8 PolarHBondContact O-N 3.11Å; D6-G9 PolarHBondContact O-N 2.89Å; D6-G9 WeakPolarHBondContact OD2-CA 3.48Å; D6-G9 PolarHBondContact OD2-N 3.44Å; D6-V10 WeakPolarHBondContact O-CG2 3.34Å; D6-V10 PolarHBondContact O-N 3.47Å; D6-N125 PolarHBondContact OD1-ND2 3.09Å; D6-N125 PolarHBondContact OD1-OD1 2.73Å | ||
| 7 | P | 90.4 | Very high | 86.9 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.8 | -35.6 | -175.3 | -28.2 | 35 | 0 | 0 | 0 | 113.9 | A11 | P7-A11 VanDerWaalsContact O-CB 3.29Å; P7-A11 WeakPolarHBondContact O-CB 3.33Å; P7-A11 PolarHBondContact O-N 3.33Å |
| 8 | C | 93.1 | Very high | 87.6 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 57% | 0.568 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66 | -53 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | D6 V10 A11 C12 | D6-C8 PolarHBondContact O-N 3.11Å; C8-V10 PolarHBondContact O-N 3.44Å; C8-A11 PolarHBondContact O-N 3.07Å; C8-C12 PolarHBondContact O-N 3.05Å; C8-C12 PolarHBondContact O-SG 3.23Å; C8-C12 VanDerWaalsContact O-SG 3.37Å |
| 9 | G | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D6 C12 V13 | D6-G9 PolarHBondContact O-N 2.89Å; D6-G9 WeakPolarHBondContact OD2-CA 3.48Å; D6-G9 PolarHBondContact OD2-N 3.44Å; G9-C12 PolarHBondContact O-N 3.46Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 2.72Å |
| 10 | V | 94.4 | Very high | 88.6 | Confident | 45 Ų | 45 | 64.5 Ų | 64.5 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | F3 D6 C8 C12 V13 L14 | F3-V10 HydrophobicContact CE1-CG2 4.05Å; F3-V10 HydrophobicContact CZ-CG2 4.14Å; D6-V10 WeakPolarHBondContact O-CG2 3.34Å; D6-V10 PolarHBondContact O-N 3.47Å; C8-V10 PolarHBondContact O-N 3.44Å; V10-C12 PolarHBondContact O-N 3.31Å; V10-V13 PolarHBondContact O-N 3.34Å; V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CG 3.17Å; V10-L14 PolarHBondContact O-N 3.16Å |
| 11 | A | 96.7 | Very high | 89 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P7 C8 V13 L14 I15 | P7-A11 VanDerWaalsContact O-CB 3.29Å; P7-A11 WeakPolarHBondContact O-CB 3.33Å; P7-A11 PolarHBondContact O-N 3.33Å; C8-A11 PolarHBondContact O-N 3.07Å; A11-V13 PolarHBondContact O-N 3.27Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-I15 WeakPolarHBondContact O-CB 3.37Å; A11-I15 WeakPolarHBondContact O-CD1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.19Å; A11-I15 PolarHBondContact O-N 3.48Å |
| 12 | C | 96.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 177.1 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | C8 G9 V10 I15 T16 P122 W123 | C8-C12 PolarHBondContact O-N 3.05Å; C8-C12 PolarHBondContact O-SG 3.23Å; C8-C12 VanDerWaalsContact O-SG 3.37Å; G9-C12 PolarHBondContact O-N 3.46Å; V10-C12 PolarHBondContact O-N 3.31Å; C12-I15 PolarHBondContact O-N 3.46Å; C12-T16 PolarHBondContact O-N 3.01Å; C12-T16 PolarHBondContact O-OG1 2.95Å; C12-T16 VanDerWaalsContact O-OG1 3.09Å; C12-P122 HydrophobicContact CB-CB 4.49Å; C12-P122 VanDerWaalsContact CB-O 3.25Å; C12-P122 WeakPolarHBondContact CB-O 3.38Å; C12-W123 HydrophobicContact CB-CD2 4.23Å; C12-W123 HydrophobicContact CB-CE3 3.84Å; C12-W123 HydrophobicContact CB-CZ3 4.3Å |
| 13 | V | 96.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.2 | 165 | 0 | 0 | 0 | 0 | 111.5 | F3 G9 V10 A11 T16 H17 N125 | F3-V13 HydrophobicContact CE2-CG2 4.35Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 2.72Å; V10-V13 PolarHBondContact O-N 3.34Å; A11-V13 PolarHBondContact O-N 3.27Å; V13-T16 PolarHBondContact O-N 3.26Å; V13-H17 PolarHBondContact O-N 2.9Å; V13-H17 VanDerWaalsContact O-N 3.16Å; V13-H17 PolarHBondContact O-ND1 3.42Å; V13-N125 HydrophobicContact CG2-CB 3.72Å |
| 14 | L | 96.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.5 | -69.6 | 175.4 | 0 | 0 | 0 | 111.4 | V10 A11 T16 H17 L18 | V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CG 3.17Å; V10-L14 PolarHBondContact O-N 3.16Å; A11-L14 PolarHBondContact O-N 3.23Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 3.33Å; L14-H17 PolarHBondContact O-N 2.97Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.87Å |
| 15 | I | 97.5 | Very high | 95.2 | Very high | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 176.5 | -69.9 | 164.3 | 0 | 0 | 0 | 110.4 | A11 C12 H17 L18 L19 W123 | A11-I15 WeakPolarHBondContact O-CB 3.37Å; A11-I15 WeakPolarHBondContact O-CD1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.19Å; A11-I15 PolarHBondContact O-N 3.48Å; C12-I15 PolarHBondContact O-N 3.46Å; I15-H17 VanDerWaalsContact C-N 3.33Å; I15-H17 PolarHBondContact O-N 3.39Å; I15-L18 PolarHBondContact O-N 2.91Å; I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.17Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.25Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.47Å; I15-W123 HydrophobicContact CB-CZ3 4.25Å; I15-W123 HydrophobicContact CG2-CH2 4.39Å; I15-W123 HydrophobicContact CG2-CZ3 3.88Å |
| 16 | T | 96.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | C12 V13 L14 L19 V20 F139 | C12-T16 PolarHBondContact O-N 3.01Å; C12-T16 PolarHBondContact O-OG1 2.95Å; C12-T16 VanDerWaalsContact O-OG1 3.09Å; V13-T16 PolarHBondContact O-N 3.26Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 3.33Å; T16-L19 PolarHBondContact O-N 3.34Å; T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.37Å; T16-F139 HydrophobicContact CG2-CE2 4.12Å; T16-F139 HydrophobicContact CG2-CZ 4.15Å |
| 17 | H | 98.1 | Very high | 96.5 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 179.4 | -72.4 | 67.5 | 0 | 0 | 0 | 111.9 | V13 L14 I15 L19 V20 L21 H60 | V13-H17 PolarHBondContact O-N 2.9Å; V13-H17 VanDerWaalsContact O-N 3.16Å; V13-H17 PolarHBondContact O-ND1 3.42Å; L14-H17 PolarHBondContact O-N 2.97Å; I15-H17 VanDerWaalsContact C-N 3.33Å; I15-H17 PolarHBondContact O-N 3.39Å; H17-L19 VanDerWaalsContact C-N 3.32Å; H17-L19 PolarHBondContact O-N 3.46Å; H17-V20 PolarHBondContact O-N 3.31Å; H17-L21 WeakPolarHBondContact O-CG 3.46Å; H17-L21 PolarHBondContact O-N 3Å; H17-H60 AromaticContact CE1-CE1 3.57Å; H17-H60 AromaticContact CE1-ND1 3.35Å; H17-H60 PolarHBondContact CE1-ND1 3.03Å; H17-H60 VanDerWaalsContact CE1-ND1 3.35Å |
| 18 | L | 98.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 59% | 0.586 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.6 | -38 | 177.6 | -70.2 | 174.6 | 0 | 0 | 0 | 112.1 | L14 I15 L21 Y22 | L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.87Å; I15-L18 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-Y22 WeakPolarHBondContact O-CB 2.97Å; L18-Y22 PolarHBondContact O-N 3.36Å |
| 19 | L | 97.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.7 | -74.3 | 170.1 | 0 | 0 | 0 | 111.9 | I15 T16 H17 S23 I186 F190 | I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.17Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.25Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.47Å; T16-L19 PolarHBondContact O-N 3.34Å; H17-L19 VanDerWaalsContact C-N 3.32Å; H17-L19 PolarHBondContact O-N 3.46Å; L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.15Å; L19-S23 PolarHBondContact O-OG 2.98Å; L19-I186 HydrophobicContact CD2-CD1 4.07Å; L19-I186 HydrophobicContact CD2-CG2 4.25Å; L19-F190 HydrophobicContact CD1-CE1 4.19Å; L19-F190 HydrophobicContact CD1-CE2 3.71Å; L19-F190 HydrophobicContact CD1-CZ 3.44Å; L19-F190 VanDerWaalsContact CD1-CZ 3.44Å; L19-F190 HydrophobicContact CD2-CE2 4.47Å |
| 20 | V | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -48.5 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | T16 H17 Y22 S23 D24 A53 L56 L57 L146 | T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.37Å; H17-V20 PolarHBondContact O-N 3.31Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 2.89Å; V20-S23 PolarHBondContact O-N 2.86Å; V20-S23 PolarHBondContact O-OG 3.42Å; V20-D24 PolarHBondContact O-N 3.12Å; V20-A53 HydrophobicContact CG1-CB 3.95Å; V20-L56 HydrophobicContact CG2-CD1 4.01Å; V20-L56 HydrophobicContact CG2-CD2 3.68Å; V20-L57 HydrophobicContact CB-CD2 4.07Å; V20-L57 HydrophobicContact CG1-CD1 4.16Å; V20-L57 HydrophobicContact CG1-CD2 4.11Å; V20-L57 HydrophobicContact CG1-CG 4.02Å; V20-L57 HydrophobicContact CG2-CD2 4.04Å; V20-L146 HydrophobicContact CG1-CD2 4.47Å |
| 21 | L | 97.7 | Very high | 96.3 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.6 | -67.4 | 174.8 | 0 | 0 | 0 | 112.3 | H17 L18 D24 Y25 | H17-L21 WeakPolarHBondContact O-CG 3.46Å; H17-L21 PolarHBondContact O-N 3Å; L18-L21 PolarHBondContact O-N 3.43Å; L21-D24 PolarHBondContact O-N 3.03Å; L21-Y25 WeakPolarHBondContact O-CB 3.44Å; L21-Y25 PolarHBondContact O-N 3.45Å |
| 22 | Y | 98.3 | Very high | 96 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.1 | 176.3 | -102.6 | 0 | 0 | 0 | 111.6 | L18 V20 D24 Y25 V26 H179 I182 I186 | L18-Y22 WeakPolarHBondContact O-CB 2.97Å; L18-Y22 PolarHBondContact O-N 3.36Å; V20-Y22 VanDerWaalsContact C-N 3.33Å; V20-Y22 PolarHBondContact O-N 2.89Å; Y22-D24 PolarHBondContact O-N 3.48Å; Y22-Y25 HydrophobicContact CD2-CD1 4.38Å; Y22-Y25 PolarHBondContact O-N 3.07Å; Y22-V26 HydrophobicContact CD1-CG2 4.29Å; Y22-V26 HydrophobicContact CD2-CG2 4.17Å; Y22-V26 HydrophobicContact CE1-CG2 3.79Å; Y22-V26 HydrophobicContact CE2-CG2 3.65Å; Y22-V26 HydrophobicContact CG-CG2 4.46Å; Y22-V26 VanDerWaalsContact CZ-CG2 3.44Å; Y22-V26 WeakPolarHBondContact O-CG2 3.49Å; Y22-V26 PolarHBondContact O-N 3.3Å; Y22-H179 AromaticContact CE2-ND1 3.8Å; Y22-H179 AromaticContact CZ-ND1 3.73Å; Y22-H179 PolarHBondContact OH-ND1 3.4Å; Y22-I182 HydrophobicContact CE1-CG2 3.81Å; Y22-I182 WeakPolarHBondContact OH-CG2 3.31Å; Y22-I186 HydrophobicContact CD1-CD1 4.25Å; Y22-I186 HydrophobicContact CE1-CD1 4.06Å |
| 23 | S | 97.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 177.2 | 74 | 0 | 0 | 0 | 0 | 112 | L19 V20 V26 V27 | L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.15Å; L19-S23 PolarHBondContact O-OG 2.98Å; V20-S23 PolarHBondContact O-N 2.86Å; V20-S23 PolarHBondContact O-OG 3.42Å; S23-V26 PolarHBondContact O-N 3.12Å; S23-V27 VanDerWaalsContact O-CB 3.32Å; S23-V27 WeakPolarHBondContact O-CB 3.34Å; S23-V27 VanDerWaalsContact O-CG2 3.23Å; S23-V27 WeakPolarHBondContact O-CG2 3.48Å; S23-V27 PolarHBondContact O-N 2.67Å |
| 24 | D | 97.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 174.5 | -178.6 | 65.9 | 0 | 0 | 0 | 111.4 | V20 L21 Y22 V26 V27 V28 F49 N50 | V20-D24 PolarHBondContact O-N 3.12Å; L21-D24 PolarHBondContact O-N 3.03Å; Y22-D24 PolarHBondContact O-N 3.48Å; D24-V26 PolarHBondContact O-N 3.32Å; D24-V27 PolarHBondContact O-N 3.42Å; D24-V28 WeakPolarHBondContact O-CB 3.46Å; D24-V28 WeakPolarHBondContact O-CG2 3.26Å; D24-V28 PolarHBondContact O-N 2.86Å; D24-F49 HydrophobicContact CB-CE1 4.21Å; D24-N50 PolarHBondContact OD1-ND2 3.41Å; D24-N50 PolarHBondContact OD1-OD1 2.91Å |
| 25 | Y | 97.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.6 | -49.6 | 175.4 | 170.2 | -106.9 | 0 | 0 | 0 | 112.4 | L21 Y22 F29 Y30 | L21-Y25 WeakPolarHBondContact O-CB 3.44Å; L21-Y25 PolarHBondContact O-N 3.45Å; Y22-Y25 HydrophobicContact CD2-CD1 4.38Å; Y22-Y25 PolarHBondContact O-N 3.07Å; Y25-F29 AromaticContact CD2-CD2 3.42Å; Y25-F29 HydrophobicContact CD2-CD2 3.42Å; Y25-F29 VanDerWaalsContact CD2-CD2 3.42Å; Y25-F29 AromaticContact CD2-CE2 3.94Å; Y25-F29 HydrophobicContact CD2-CE2 3.94Å; Y25-F29 HydrophobicContact CD2-CG 4.27Å; Y25-F29 HydrophobicContact CE2-CB 4.41Å; Y25-F29 AromaticContact CE2-CD2 3.82Å; Y25-F29 HydrophobicContact CE2-CD2 3.82Å; Y25-F29 HydrophobicContact CE2-CE2 4.42Å; Y25-F29 HydrophobicContact CE2-CG 4.26Å; Y25-F29 HydrophobicContact CG-CD2 4.32Å; Y25-F29 WeakPolarHBondContact O-CB 3.47Å; Y25-F29 WeakPolarHBondContact O-CD2 3.31Å; Y25-F29 PolarHBondContact O-N 2.86Å; Y25-Y30 HydrophobicContact CD1-CE2 4.34Å; Y25-Y30 HydrophobicContact CE1-CD2 4.34Å; Y25-Y30 AromaticContact CE1-CE2 3.55Å; Y25-Y30 HydrophobicContact CE1-CE2 3.55Å; Y25-Y30 HydrophobicContact CE2-CE2 4.29Å; Y25-Y30 AromaticContact CZ-CE2 3.53Å; Y25-Y30 WeakPolarHBondContact OH-CE2 3.31Å; Y25-Y30 PolarHBondContact OH-OH 3.14Å; Y25-Y30 VanDerWaalsContact OH-OH 3.07Å |
| 26 | V | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | Y22 S23 D24 V28 Y30 L31 H179 L183 | Y22-V26 HydrophobicContact CD1-CG2 4.29Å; Y22-V26 HydrophobicContact CD2-CG2 4.17Å; Y22-V26 HydrophobicContact CE1-CG2 3.79Å; Y22-V26 HydrophobicContact CE2-CG2 3.65Å; Y22-V26 HydrophobicContact CG-CG2 4.46Å; Y22-V26 VanDerWaalsContact CZ-CG2 3.44Å; Y22-V26 WeakPolarHBondContact O-CG2 3.49Å; Y22-V26 PolarHBondContact O-N 3.3Å; S23-V26 PolarHBondContact O-N 3.12Å; D24-V26 PolarHBondContact O-N 3.32Å; V26-V28 PolarHBondContact O-N 3.43Å; V26-Y30 WeakPolarHBondContact O-CA 3.44Å; V26-Y30 WeakPolarHBondContact O-CB 3.36Å; V26-Y30 PolarHBondContact O-N 3.28Å; V26-L31 PolarHBondContact O-N 2.85Å; V26-H179 HydrophobicContact CG1-CB 3.92Å; V26-H179 HydrophobicContact CG2-CB 4.11Å; V26-L183 HydrophobicContact CB-CD2 4.43Å; V26-L183 HydrophobicContact CG1-CB 4.1Å; V26-L183 HydrophobicContact CG1-CD2 3.85Å; V26-L183 HydrophobicContact CG1-CG 4.47Å |
| 27 | V | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -61.9 | -45.2 | -179.1 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | S23 D24 L31 V32 F49 A150 L153 L183 | S23-V27 VanDerWaalsContact O-CB 3.32Å; S23-V27 WeakPolarHBondContact O-CB 3.34Å; S23-V27 VanDerWaalsContact O-CG2 3.23Å; S23-V27 WeakPolarHBondContact O-CG2 3.48Å; S23-V27 PolarHBondContact O-N 2.67Å; D24-V27 PolarHBondContact O-N 3.42Å; V27-L31 HydrophobicContact CG2-CD1 4.29Å; V27-L31 WeakPolarHBondContact O-CB 3.2Å; V27-L31 PolarHBondContact O-N 2.96Å; V27-V32 HydrophobicContact CG1-CG2 3.96Å; V27-V32 WeakPolarHBondContact O-CB 3.41Å; V27-V32 WeakPolarHBondContact O-CG2 3.47Å; V27-V32 PolarHBondContact O-N 3.48Å; V27-F49 HydrophobicContact CB-CD1 4.44Å; V27-F49 HydrophobicContact CB-CE1 4.17Å; V27-F49 HydrophobicContact CB-CZ 4.21Å; V27-F49 HydrophobicContact CG1-CD1 4.23Å; V27-F49 HydrophobicContact CG1-CD2 4.18Å; V27-F49 HydrophobicContact CG1-CE1 4.41Å; V27-F49 HydrophobicContact CG1-CE2 4.35Å; V27-F49 HydrophobicContact CG1-CG 4.12Å; V27-F49 HydrophobicContact CG1-CZ 4.46Å; V27-F49 HydrophobicContact CG2-CE1 4.17Å; V27-F49 HydrophobicContact CG2-CE2 3.94Å; V27-F49 HydrophobicContact CG2-CZ 3.71Å; V27-A150 HydrophobicContact CG2-CB 4.44Å; V27-L153 HydrophobicContact CG1-CD1 3.69Å; V27-L183 HydrophobicContact CG2-CD2 3.82Å |
| 28 | V | 93.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 53 Ų | 53 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -72 | -55.3 | -178.5 | 175.3 | 0 | 0 | 0 | 0 | 111 | D24 V26 L33 T46 | D24-V28 WeakPolarHBondContact O-CB 3.46Å; D24-V28 WeakPolarHBondContact O-CG2 3.26Å; D24-V28 PolarHBondContact O-N 2.86Å; V26-V28 PolarHBondContact O-N 3.43Å; V28-L33 HydrophobicContact CG1-CD1 3.77Å; V28-L33 HydrophobicContact CG1-CG 4.02Å; V28-L33 VanDerWaalsContact O-CB 3.28Å; V28-L33 WeakPolarHBondContact O-CB 3.3Å; V28-L33 VanDerWaalsContact O-CG 3.23Å; V28-L33 WeakPolarHBondContact O-CG 3.3Å; V28-L33 PolarHBondContact O-N 2.97Å; V28-T46 HydrophobicContact CG2-CG2 4.02Å |
| 29 | F | 92.2 | Very high | 91.9 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 50% | 0.504 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -85.3 | -24.3 | -168.3 | -67.6 | -78.4 | 0 | 0 | 0 | 114.8 | Y25 L33 P34 | Y25-F29 AromaticContact CD2-CD2 3.42Å; Y25-F29 HydrophobicContact CD2-CD2 3.42Å; Y25-F29 VanDerWaalsContact CD2-CD2 3.42Å; Y25-F29 AromaticContact CD2-CE2 3.94Å; Y25-F29 HydrophobicContact CD2-CE2 3.94Å; Y25-F29 HydrophobicContact CD2-CG 4.27Å; Y25-F29 HydrophobicContact CE2-CB 4.41Å; Y25-F29 AromaticContact CE2-CD2 3.82Å; Y25-F29 HydrophobicContact CE2-CD2 3.82Å; Y25-F29 HydrophobicContact CE2-CE2 4.42Å; Y25-F29 HydrophobicContact CE2-CG 4.26Å; Y25-F29 HydrophobicContact CG-CD2 4.32Å; Y25-F29 WeakPolarHBondContact O-CB 3.47Å; Y25-F29 WeakPolarHBondContact O-CD2 3.31Å; Y25-F29 PolarHBondContact O-N 2.86Å; F29-L33 HydrophobicContact CD1-CD1 3.91Å; F29-L33 HydrophobicContact CE1-CD1 4.11Å; F29-P34 WeakPolarHBondContact O-CD 3.35Å; F29-P34 WeakPolarHBondContact O-CG 3.32Å |
| 30 | Y | 91 | Very high | 91.7 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 18% | 0.18 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -114.1 | -10.3 | -175.8 | -64.8 | -90.7 | 0 | 0 | 0 | 114.3 | Y25 V26 V175 V176 H179 | Y25-Y30 HydrophobicContact CD1-CE2 4.34Å; Y25-Y30 HydrophobicContact CE1-CD2 4.34Å; Y25-Y30 AromaticContact CE1-CE2 3.55Å; Y25-Y30 HydrophobicContact CE1-CE2 3.55Å; Y25-Y30 HydrophobicContact CE2-CE2 4.29Å; Y25-Y30 AromaticContact CZ-CE2 3.53Å; Y25-Y30 WeakPolarHBondContact OH-CE2 3.31Å; Y25-Y30 PolarHBondContact OH-OH 3.14Å; Y25-Y30 VanDerWaalsContact OH-OH 3.07Å; V26-Y30 WeakPolarHBondContact O-CA 3.44Å; V26-Y30 WeakPolarHBondContact O-CB 3.36Å; V26-Y30 PolarHBondContact O-N 3.28Å; Y30-V175 HydrophobicContact CE1-CG1 3.74Å; Y30-V176 HydrophobicContact CD1-CB 4.46Å; Y30-V176 HydrophobicContact CD1-CG2 3.81Å; Y30-H179 AromaticContact CD1-CD2 3.99Å; Y30-H179 AromaticContact CE1-CD2 3.67Å; Y30-H179 AromaticContact CE2-CD2 3.92Å; Y30-H179 HydrophobicContact CG-CB 4.41Å; Y30-H179 AromaticContact CZ-CD2 3.61Å; Y30-H179 AromaticContact CZ-NE2 3.81Å |
| 31 | L | 90.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -119.8 | -63.5 | 176 | -59.4 | 174.8 | 0 | 0 | 0 | 112 | V26 V27 V35 V154 C157 L183 | V26-L31 PolarHBondContact O-N 2.85Å; V27-L31 HydrophobicContact CG2-CD1 4.29Å; V27-L31 WeakPolarHBondContact O-CB 3.2Å; V27-L31 PolarHBondContact O-N 2.96Å; L31-V35 VanDerWaalsContact O-CB 3.28Å; L31-V35 WeakPolarHBondContact O-CB 3.44Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.43Å; L31-V154 HydrophobicContact CD1-CG2 3.52Å; L31-V154 HydrophobicContact CD2-CG2 4.36Å; L31-C157 HydrophobicContact CD2-CB 4.41Å; L31-L183 HydrophobicContact CD1-CD2 3.82Å |
| 32 | V | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -71.2 | -53.6 | -169.9 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | V27 L36 A42 L153 | V27-V32 HydrophobicContact CG1-CG2 3.96Å; V27-V32 WeakPolarHBondContact O-CB 3.41Å; V27-V32 WeakPolarHBondContact O-CG2 3.47Å; V27-V32 PolarHBondContact O-N 3.48Å; V32-L36 HydrophobicContact CG1-CB 4.5Å; V32-L36 WeakPolarHBondContact O-CA 3.33Å; V32-L36 VanDerWaalsContact O-CB 3.29Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.5Å; V32-A42 HydrophobicContact CG1-CB 3.65Å; V32-A42 WeakPolarHBondContact CG1-O 3.27Å; V32-L153 HydrophobicContact CG2-CD1 4.39Å |
| 33 | L | 89.3 | Confident | 90.8 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | -177.2 | -68 | 177.8 | 0 | 0 | 0 | 113.3 | V28 F29 K37 | V28-L33 HydrophobicContact CG1-CD1 3.77Å; V28-L33 HydrophobicContact CG1-CG 4.02Å; V28-L33 VanDerWaalsContact O-CB 3.28Å; V28-L33 WeakPolarHBondContact O-CB 3.3Å; V28-L33 VanDerWaalsContact O-CG 3.23Å; V28-L33 WeakPolarHBondContact O-CG 3.3Å; V28-L33 PolarHBondContact O-N 2.97Å; F29-L33 HydrophobicContact CD1-CD1 3.91Å; F29-L33 HydrophobicContact CE1-CD1 4.11Å; L33-K37 WeakPolarHBondContact O-CA 3.37Å; L33-K37 VanDerWaalsContact O-CB 3.27Å; L33-K37 WeakPolarHBondContact O-CB 3.26Å; L33-K37 PolarHBondContact O-N 3.1Å |
| 34 | P | 86.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 178.5 | -23 | 35.6 | 0 | 0 | 0 | 113 | F29 | F29-P34 WeakPolarHBondContact O-CD 3.35Å; F29-P34 WeakPolarHBondContact O-CG 3.32Å |
| 35 | V | 87 | Confident | 90.6 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -89.6 | -40.8 | -169.8 | -170.8 | 0 | 0 | 0 | 0 | 112 | L31 C157 M160 I161 K166 | L31-V35 VanDerWaalsContact O-CB 3.28Å; L31-V35 WeakPolarHBondContact O-CB 3.44Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.43Å; V35-C157 HydrophobicContact CB-CB 4.35Å; V35-C157 HydrophobicContact CG1-CB 4.26Å; V35-C157 HydrophobicContact CG2-CB 4.1Å; V35-M160 HydrophobicContact CG1-CB 4.37Å; V35-M160 HydrophobicContact CG1-CE 3.7Å; V35-I161 HydrophobicContact CG1-CG1 4.38Å; V35-I161 HydrophobicContact CG2-CD1 3.91Å; V35-I161 HydrophobicContact CG2-CG1 4.4Å; V35-K166 HydrophobicContact CG1-CG 4Å; V35-K166 VanDerWaalsContact O-CD 3.26Å; V35-K166 WeakPolarHBondContact O-CD 3.27Å; V35-K166 WeakPolarHBondContact O-CE 3.31Å; V35-K166 PolarHBondContact O-NZ 3.15Å; V35-K166 VanDerWaalsContact O-NZ 3.13Å |
| 36 | L | 86.1 | Confident | 90.6 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -100.2 | 18 | -176.5 | -60.2 | 178.2 | 0 | 0 | 0 | 113 | V32 N38 S39 W41 A42 M160 | V32-L36 HydrophobicContact CG1-CB 4.5Å; V32-L36 WeakPolarHBondContact O-CA 3.33Å; V32-L36 VanDerWaalsContact O-CB 3.29Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.5Å; L36-N38 PolarHBondContact O-N 3.15Å; L36-S39 WeakPolarHBondContact O-CB 3.43Å; L36-S39 PolarHBondContact O-N 3Å; L36-W41 HydrophobicContact CD1-CB 4.45Å; L36-A42 HydrophobicContact CB-CB 3.78Å; L36-A42 VanDerWaalsContact O-CB 3.23Å; L36-A42 WeakPolarHBondContact O-CB 3.26Å; L36-M160 HydrophobicContact CD2-CE 3.55Å; L36-M160 HydrophobicContact CD2-SD 3.95Å; L36-M160 HydrophobicContact CG-CE 4.29Å |
| 37 | K | 81.8 | Confident | 90.6 | Very high | 141 Ų | 141 | 61.8 Ų | 61.8 | 61% | 0.613 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.7 | 132.2 | -177.3 | -165.3 | 176.1 | 178.7 | 179 | 0 | 113.2 | L33 S39 | L33-K37 WeakPolarHBondContact O-CA 3.37Å; L33-K37 VanDerWaalsContact O-CB 3.27Å; L33-K37 WeakPolarHBondContact O-CB 3.26Å; L33-K37 PolarHBondContact O-N 3.1Å; K37-S39 PolarHBondContact O-N 3.25Å; K37-S39 VanDerWaalsContact O-N 3.09Å |
| 38 | N | 77.5 | Confident | 90.7 | Very high | 159 Ų | 159 | 63.8 Ų | 63.8 | 85% | 0.85 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 18.2 | 177.7 | -58.7 | -23.6 | 0 | 0 | 0 | 115.5 | L36 | L36-N38 PolarHBondContact O-N 3.15Š|
| 39 | S | 85.8 | Confident | 90.9 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -93 | 145.2 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L36 K37 W41 A42 | L36-S39 WeakPolarHBondContact O-CB 3.43Å; L36-S39 PolarHBondContact O-N 3Å; K37-S39 PolarHBondContact O-N 3.25Å; K37-S39 VanDerWaalsContact O-N 3.09Å; S39-W41 PolarHBondContact O-N 3.35Å; S39-W41 WeakPolarHBondContact OG-CB 3.37Å; S39-W41 VanDerWaalsContact OG-CD1 3.3Å; S39-W41 PolarHBondContact OG-N 3.35Å; S39-A42 WeakPolarHBondContact O-CB 3.39Å; S39-A42 PolarHBondContact O-N 3.17Å | ||
| 40 | F | 93 | Very high | 91.1 | Very high | 139 Ų | 139 | 60.2 Ų | 60.2 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -49.6 | -37.1 | 163.5 | 169.7 | -104.8 | 0 | 0 | 0 | 111.6 | A42 I43 L44 | F40-A42 VanDerWaalsContact C-N 3.31Å; F40-A42 PolarHBondContact O-N 2.78Å; F40-I43 PolarHBondContact O-N 3.23Å; F40-L44 HydrophobicContact CE1-CD2 4Å; F40-L44 HydrophobicContact CZ-CD2 4.28Å; F40-L44 WeakPolarHBondContact O-CB 3.42Å; F40-L44 PolarHBondContact O-N 2.96Å |
| 41 | W | 91.1 | Very high | 91.4 | Very high | 152 Ų | 152 | 62.4 Ų | 62.4 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.8 | -30.5 | 178.4 | -61.2 | 114.5 | 0 | 0 | 0 | 113.5 | L36 S39 L44 N45 | L36-W41 HydrophobicContact CD1-CB 4.45Å; S39-W41 PolarHBondContact O-N 3.35Å; S39-W41 WeakPolarHBondContact OG-CB 3.37Å; S39-W41 VanDerWaalsContact OG-CD1 3.3Å; S39-W41 PolarHBondContact OG-N 3.35Å; W41-L44 HydrophobicContact CE3-CD2 3.87Å; W41-L44 HydrophobicContact CZ3-CD2 3.78Å; W41-N45 WeakPolarHBondContact O-CB 3.32Å; W41-N45 PolarHBondContact O-N 2.77Å; W41-N45 PolarHBondContact O-ND2 2.86Å |
| 42 | A | 92.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V32 L36 S39 F40 T46 | V32-A42 HydrophobicContact CG1-CB 3.65Å; V32-A42 WeakPolarHBondContact CG1-O 3.27Å; L36-A42 HydrophobicContact CB-CB 3.78Å; L36-A42 VanDerWaalsContact O-CB 3.23Å; L36-A42 WeakPolarHBondContact O-CB 3.26Å; S39-A42 WeakPolarHBondContact O-CB 3.39Å; S39-A42 PolarHBondContact O-N 3.17Å; F40-A42 VanDerWaalsContact C-N 3.31Å; F40-A42 PolarHBondContact O-N 2.78Å; A42-T46 VanDerWaalsContact O-CB 3.3Å; A42-T46 WeakPolarHBondContact O-CB 3.24Å; A42-T46 PolarHBondContact O-N 3.4Å; A42-T46 PolarHBondContact O-OG1 3.12Å |
| 43 | I | 93.7 | Very high | 92.1 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 178.7 | -61.9 | 173.7 | 0 | 0 | 0 | 109.6 | F40 N45 T46 I47 | F40-I43 PolarHBondContact O-N 3.23Å; I43-N45 PolarHBondContact O-N 3.46Å; I43-T46 PolarHBondContact O-N 2.86Å; I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CB 3.49Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.05Å |
| 44 | L | 95.5 | Very high | 92.5 | Very high | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 179.8 | -178.5 | 64.2 | 0 | 0 | 0 | 112 | F40 W41 T46 I47 C48 | F40-L44 HydrophobicContact CE1-CD2 4Å; F40-L44 HydrophobicContact CZ-CD2 4.28Å; F40-L44 WeakPolarHBondContact O-CB 3.42Å; F40-L44 PolarHBondContact O-N 2.96Å; W41-L44 HydrophobicContact CE3-CD2 3.87Å; W41-L44 HydrophobicContact CZ3-CD2 3.78Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.02Å; L44-I47 PolarHBondContact O-N 3.02Å; L44-C48 WeakPolarHBondContact O-CB 3.46Å; L44-C48 PolarHBondContact O-N 3.38Å; L44-C48 PolarHBondContact O-SG 3.16Å; L44-C48 VanDerWaalsContact O-SG 3.32Å |
| 45 | N | 95.5 | Very high | 93 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | -179 | -78 | -75.2 | 0 | 0 | 0 | 112.4 | W41 I43 F49 Y149 L153 | W41-N45 WeakPolarHBondContact O-CB 3.32Å; W41-N45 PolarHBondContact O-N 2.77Å; W41-N45 PolarHBondContact O-ND2 2.86Å; I43-N45 PolarHBondContact O-N 3.46Å; N45-F49 WeakPolarHBondContact O-CB 3.44Å; N45-F49 PolarHBondContact O-N 2.96Å; N45-Y149 WeakPolarHBondContact OD1-CE1 3.33Å; N45-Y149 PolarHBondContact OD1-OH 3.5Å; N45-L153 HydrophobicContact CB-CD2 4.26Å |
| 46 | T | 95.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | V28 A42 I43 L44 N50 | V28-T46 HydrophobicContact CG2-CG2 4.02Å; A42-T46 VanDerWaalsContact O-CB 3.3Å; A42-T46 WeakPolarHBondContact O-CB 3.24Å; A42-T46 PolarHBondContact O-N 3.4Å; A42-T46 PolarHBondContact O-OG1 3.12Å; I43-T46 PolarHBondContact O-N 2.86Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.02Å; T46-N50 WeakPolarHBondContact O-CB 3.48Å; T46-N50 PolarHBondContact O-N 2.9Å; T46-N50 PolarHBondContact O-ND2 3.07Å |
| 47 | I | 96.7 | Very high | 94 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -50.1 | 178.4 | -68.8 | 171.7 | 0 | 0 | 0 | 110.7 | I43 L44 F49 N50 I51 | I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CB 3.49Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.05Å; L44-I47 PolarHBondContact O-N 3.02Å; I47-F49 PolarHBondContact O-N 3.41Å; I47-N50 PolarHBondContact O-N 3.08Å; I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 HydrophobicContact CG2-CG1 4.4Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.23Å; I47-I51 PolarHBondContact O-N 2.82Å |
| 48 | C | 97.6 | Very high | 94.7 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | -178.8 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | L44 I51 V52 Y149 | L44-C48 WeakPolarHBondContact O-CB 3.46Å; L44-C48 PolarHBondContact O-N 3.38Å; L44-C48 PolarHBondContact O-SG 3.16Å; L44-C48 VanDerWaalsContact O-SG 3.32Å; C48-I51 PolarHBondContact O-N 3.48Å; C48-V52 WeakPolarHBondContact O-CG2 3.4Å; C48-V52 PolarHBondContact O-N 3.19Å; C48-V52 VanDerWaalsContact O-N 3.14Å; C48-Y149 HydrophobicContact CB-CE2 3.91Å; C48-Y149 WeakPolarHBondContact CB-OH 3.28Å |
| 49 | F | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.4 | -167.9 | -92.2 | 0 | 0 | 0 | 111.3 | D24 V27 N45 I47 I51 V52 A53 L146 Y149 A150 L153 | D24-F49 HydrophobicContact CB-CE1 4.21Å; V27-F49 HydrophobicContact CB-CD1 4.44Å; V27-F49 HydrophobicContact CB-CE1 4.17Å; V27-F49 HydrophobicContact CB-CZ 4.21Å; V27-F49 HydrophobicContact CG1-CD1 4.23Å; V27-F49 HydrophobicContact CG1-CD2 4.18Å; V27-F49 HydrophobicContact CG1-CE1 4.41Å; V27-F49 HydrophobicContact CG1-CE2 4.35Å; V27-F49 HydrophobicContact CG1-CG 4.12Å; V27-F49 HydrophobicContact CG1-CZ 4.46Å; V27-F49 HydrophobicContact CG2-CE1 4.17Å; V27-F49 HydrophobicContact CG2-CE2 3.94Å; V27-F49 HydrophobicContact CG2-CZ 3.71Å; N45-F49 WeakPolarHBondContact O-CB 3.44Å; N45-F49 PolarHBondContact O-N 2.96Å; I47-F49 PolarHBondContact O-N 3.41Å; F49-I51 PolarHBondContact O-N 3.47Å; F49-V52 PolarHBondContact O-N 3.18Å; F49-A53 WeakPolarHBondContact O-CB 3.22Å; F49-A53 PolarHBondContact O-N 3.35Å; F49-L146 HydrophobicContact CD1-CD1 4.14Å; F49-L146 HydrophobicContact CD2-CD1 3.85Å; F49-L146 HydrophobicContact CE1-CD1 3.75Å; F49-L146 HydrophobicContact CE1-CG 4.42Å; F49-L146 HydrophobicContact CE2-CD1 3.44Å; F49-L146 VanDerWaalsContact CE2-CD1 3.44Å; F49-L146 HydrophobicContact CE2-CG 3.95Å; F49-L146 HydrophobicContact CG-CD1 4.18Å; F49-L146 HydrophobicContact CZ-CD1 3.39Å; F49-L146 HydrophobicContact CZ-CD2 4.32Å; F49-L146 HydrophobicContact CZ-CG 3.74Å; F49-Y149 HydrophobicContact CB-CE2 4.36Å; F49-Y149 HydrophobicContact CD2-CD2 4.07Å; F49-Y149 HydrophobicContact CD2-CG 4.13Å; F49-A150 HydrophobicContact CE2-CB 4.21Å; F49-L153 HydrophobicContact CD2-CD1 4.39Å |
| 50 | N | 97.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -32.8 | 177.8 | -88.2 | -87.2 | 0 | 0 | 0 | 113.5 | D24 T46 I47 A53 S54 | D24-N50 PolarHBondContact OD1-ND2 3.41Å; D24-N50 PolarHBondContact OD1-OD1 2.91Å; T46-N50 WeakPolarHBondContact O-CB 3.48Å; T46-N50 PolarHBondContact O-N 2.9Å; T46-N50 PolarHBondContact O-ND2 3.07Å; I47-N50 PolarHBondContact O-N 3.08Å; N50-A53 PolarHBondContact O-N 2.98Å; N50-S54 VanDerWaalsContact O-CB 3.28Å; N50-S54 WeakPolarHBondContact O-CB 3Å; N50-S54 PolarHBondContact O-N 2.78Å; N50-S54 PolarHBondContact O-OG 3.16Å |
| 51 | I | 97.6 | Very high | 96.3 | Very high | 91 Ų | 91 | 48 Ų | 48 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.1 | -47 | 172.3 | -72 | 166.9 | 0 | 0 | 0 | 110.2 | I47 C48 F49 S54 L55 | I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 HydrophobicContact CG2-CG1 4.4Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.23Å; I47-I51 PolarHBondContact O-N 2.82Å; C48-I51 PolarHBondContact O-N 3.48Å; F49-I51 PolarHBondContact O-N 3.47Å; I51-S54 PolarHBondContact O-N 2.51Å; I51-L55 HydrophobicContact CG2-CD1 3.99Å; I51-L55 WeakPolarHBondContact O-CG 2.98Å; I51-L55 PolarHBondContact O-N 3.32Å |
| 52 | V | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.5 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | C48 F49 S54 L55 L56 Y142 I145 L146 | C48-V52 WeakPolarHBondContact O-CG2 3.4Å; C48-V52 PolarHBondContact O-N 3.19Å; C48-V52 VanDerWaalsContact O-N 3.14Å; F49-V52 PolarHBondContact O-N 3.18Å; V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 PolarHBondContact O-N 2.68Å; V52-L55 PolarHBondContact O-N 2.98Å; V52-L56 WeakPolarHBondContact O-CB 3.37Å; V52-L56 PolarHBondContact O-N 2.92Å; V52-Y142 HydrophobicContact CG1-CD1 4.48Å; V52-I145 HydrophobicContact CG1-CB 4.2Å; V52-I145 HydrophobicContact CG1-CG2 3.8Å; V52-I145 HydrophobicContact CG2-CG2 4.09Å; V52-L146 HydrophobicContact CB-CD1 4.11Å; V52-L146 HydrophobicContact CG1-CB 4.06Å; V52-L146 HydrophobicContact CG1-CD1 3.84Å |
| 53 | A | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V20 F49 N50 L56 L57 L146 | V20-A53 HydrophobicContact CG1-CB 3.95Å; F49-A53 WeakPolarHBondContact O-CB 3.22Å; F49-A53 PolarHBondContact O-N 3.35Å; N50-A53 PolarHBondContact O-N 2.98Å; A53-L56 WeakPolarHBondContact O-CB 3.24Å; A53-L56 PolarHBondContact O-N 3.4Å; A53-L57 WeakPolarHBondContact O-CG 3.49Å; A53-L57 PolarHBondContact O-N 2.62Å; A53-L146 HydrophobicContact CB-CD1 4.26Å |
| 54 | S | 97.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | N50 I51 V52 L56 L57 F58 | N50-S54 VanDerWaalsContact O-CB 3.28Å; N50-S54 WeakPolarHBondContact O-CB 3Å; N50-S54 PolarHBondContact O-N 2.78Å; N50-S54 PolarHBondContact O-OG 3.16Å; I51-S54 PolarHBondContact O-N 2.51Å; V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 PolarHBondContact O-N 2.68Å; S54-L56 VanDerWaalsContact C-N 3.35Å; S54-L57 PolarHBondContact O-N 3.05Å; S54-F58 VanDerWaalsContact O-CB 3.26Å; S54-F58 WeakPolarHBondContact O-CB 3.5Å; S54-F58 PolarHBondContact O-N 2.83Å |
| 55 | L | 96.9 | Very high | 96.5 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 175.6 | -71.2 | 168.1 | 0 | 0 | 0 | 112.1 | I51 V52 S59 Y142 L268 | I51-L55 HydrophobicContact CG2-CD1 3.99Å; I51-L55 WeakPolarHBondContact O-CG 2.98Å; I51-L55 PolarHBondContact O-N 3.32Å; V52-L55 PolarHBondContact O-N 2.98Å; L55-S59 WeakPolarHBondContact O-CB 3.49Å; L55-S59 PolarHBondContact O-N 2.81Å; L55-S59 PolarHBondContact O-OG 3.26Å; L55-Y142 HydrophobicContact CB-CD1 3.97Å; L55-Y142 HydrophobicContact CB-CD2 4.04Å; L55-Y142 HydrophobicContact CB-CE1 3.77Å; L55-Y142 HydrophobicContact CB-CE2 3.85Å; L55-Y142 HydrophobicContact CB-CG 4.12Å; L55-Y142 HydrophobicContact CD1-CE1 3.74Å; L55-Y142 HydrophobicContact CG-CE1 4.35Å; L55-L268 HydrophobicContact CD2-CD2 4.03Å |
| 56 | L | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -54.3 | 171.7 | -172 | 171.2 | 0 | 0 | 0 | 110.6 | V20 V52 A53 S54 F58 S59 H60 F139 V143 L146 | V20-L56 HydrophobicContact CG2-CD1 4.01Å; V20-L56 HydrophobicContact CG2-CD2 3.68Å; V52-L56 WeakPolarHBondContact O-CB 3.37Å; V52-L56 PolarHBondContact O-N 2.92Å; A53-L56 WeakPolarHBondContact O-CB 3.24Å; A53-L56 PolarHBondContact O-N 3.4Å; S54-L56 VanDerWaalsContact C-N 3.35Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.42Å; L56-S59 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-OG 3.46Å; L56-H60 WeakPolarHBondContact O-CB 3.11Å; L56-H60 PolarHBondContact O-N 3.46Å; L56-F139 HydrophobicContact CD2-CD2 3.9Å; L56-F139 HydrophobicContact CD2-CE2 3.77Å; L56-F139 HydrophobicContact CG-CD2 4.26Å; L56-F139 HydrophobicContact CG-CE2 4.4Å; L56-V143 HydrophobicContact CD1-CB 4.3Å; L56-V143 HydrophobicContact CD1-CG2 3.74Å; L56-V143 HydrophobicContact CD2-CG2 4.24Å; L56-V143 HydrophobicContact CG-CG2 3.88Å; L56-L146 HydrophobicContact CD1-CB 4.27Å; L56-L146 HydrophobicContact CD1-CD2 3.69Å |
| 57 | L | 97.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 37 Ų | 37 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | -179.8 | -68.5 | 178.6 | 0 | 0 | 0 | 111.7 | V20 A53 S54 H60 I61 | V20-L57 HydrophobicContact CB-CD2 4.07Å; V20-L57 HydrophobicContact CG1-CD1 4.16Å; V20-L57 HydrophobicContact CG1-CD2 4.11Å; V20-L57 HydrophobicContact CG1-CG 4.02Å; V20-L57 HydrophobicContact CG2-CD2 4.04Å; A53-L57 WeakPolarHBondContact O-CG 3.49Å; A53-L57 PolarHBondContact O-N 2.62Å; S54-L57 PolarHBondContact O-N 3.05Å; L57-H60 PolarHBondContact O-N 2.79Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.34Å |
| 58 | F | 96.3 | Very high | 96 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 38% | 0.377 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 178.3 | -177.1 | -139.3 | 0 | 0 | 0 | 111.9 | S54 L56 H60 I61 C62 P269 | S54-F58 VanDerWaalsContact O-CB 3.26Å; S54-F58 WeakPolarHBondContact O-CB 3.5Å; S54-F58 PolarHBondContact O-N 2.83Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.42Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.46Å; F58-I61 PolarHBondContact O-N 2.96Å; F58-C62 VanDerWaalsContact CE2-SG 3.58Å; F58-C62 WeakPolarHBondContact O-CB 3.5Å; F58-C62 PolarHBondContact O-N 2.92Å; F58-C62 PolarHBondContact O-SG 2.88Å; F58-P269 HydrophobicContact CB-CG 4.32Å; F58-P269 HydrophobicContact CD1-CB 3.51Å; F58-P269 HydrophobicContact CD1-CG 3.32Å; F58-P269 HydrophobicContact CE1-CB 3.52Å; F58-P269 HydrophobicContact CE1-CG 3.79Å; F58-P269 HydrophobicContact CG-CB 4.12Å; F58-P269 HydrophobicContact CG-CG 4.02Å; F58-P269 HydrophobicContact CZ-CB 4.17Å |
| 59 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | L55 L56 C62 A63 F139 | L55-S59 WeakPolarHBondContact O-CB 3.49Å; L55-S59 PolarHBondContact O-N 2.81Å; L55-S59 PolarHBondContact O-OG 3.26Å; L56-S59 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-OG 3.46Å; S59-C62 PolarHBondContact O-N 3.39Å; S59-A63 WeakPolarHBondContact O-CB 3.32Å; S59-A63 PolarHBondContact O-N 3.43Å; S59-F139 VanDerWaalsContact OG-CA 3.28Å; S59-F139 WeakPolarHBondContact OG-CA 3.21Å; S59-F139 PolarHBondContact OG-N 2.87Å |
| 60 | H | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -51.7 | 173.9 | 178.3 | -82.9 | 0 | 0 | 0 | 111.7 | H17 L56 L57 F58 C62 A63 A64 W123 F139 | H17-H60 AromaticContact CE1-CE1 3.57Å; H17-H60 AromaticContact CE1-ND1 3.35Å; H17-H60 PolarHBondContact CE1-ND1 3.03Å; H17-H60 VanDerWaalsContact CE1-ND1 3.35Å; L56-H60 WeakPolarHBondContact O-CB 3.11Å; L56-H60 PolarHBondContact O-N 3.46Å; L57-H60 PolarHBondContact O-N 2.79Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.46Å; H60-C62 VanDerWaalsContact C-N 3.33Å; H60-C62 PolarHBondContact O-N 2.98Å; H60-A63 PolarHBondContact O-N 3.17Å; H60-A63 VanDerWaalsContact O-N 3.16Å; H60-A64 WeakPolarHBondContact O-CB 3.49Å; H60-A64 PolarHBondContact O-N 3.45Å; H60-W123 PolarHBondContact NE2-O 2.61Å; H60-F139 HydrophobicContact CB-CD2 3.83Å; H60-F139 HydrophobicContact CB-CE2 4.16Å; H60-F139 HydrophobicContact CB-CG 4.37Å; H60-F139 AromaticContact CD2-CE2 3.73Å; H60-F139 AromaticContact CD2-CZ 3.79Å |
| 61 | I | 95.1 | Very high | 95 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.9 | -48 | 177.2 | -69.6 | 165.8 | 0 | 0 | 0 | 109.7 | L57 F58 A63 A64 V65 | L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.34Å; F58-I61 PolarHBondContact O-N 2.96Å; I61-A63 VanDerWaalsContact C-N 3.35Å; I61-A63 PolarHBondContact O-N 3.28Å; I61-A64 PolarHBondContact O-N 2.95Å; I61-A64 VanDerWaalsContact O-N 3.16Å; I61-V65 HydrophobicContact CG2-CG1 4.33Å; I61-V65 HydrophobicContact CG2-CG2 4.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.14Å; I61-V65 PolarHBondContact O-N 3.45Å |
| 62 | C | 94 | Very high | 94.3 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 10% | 0.095 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | 176.6 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | F58 S59 H60 A64 T66 Y135 | F58-C62 VanDerWaalsContact CE2-SG 3.58Å; F58-C62 WeakPolarHBondContact O-CB 3.5Å; F58-C62 PolarHBondContact O-N 2.92Å; F58-C62 PolarHBondContact O-SG 2.88Å; S59-C62 PolarHBondContact O-N 3.39Å; H60-C62 VanDerWaalsContact C-N 3.33Å; H60-C62 PolarHBondContact O-N 2.98Å; C62-A64 VanDerWaalsContact C-N 3.33Å; C62-A64 PolarHBondContact O-N 3.19Å; C62-T66 WeakPolarHBondContact O-CB 3.31Å; C62-T66 PolarHBondContact O-N 2.73Å; C62-T66 PolarHBondContact O-OG1 3.26Å; C62-Y135 HydrophobicContact CB-CD1 3.53Å; C62-Y135 HydrophobicContact CB-CD2 4.01Å; C62-Y135 HydrophobicContact CB-CE1 3.92Å; C62-Y135 HydrophobicContact CB-CE2 4.36Å; C62-Y135 HydrophobicContact CB-CG 3.57Å |
| 63 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S59 H60 I61 I124 N126 N132 F136 | S59-A63 WeakPolarHBondContact O-CB 3.32Å; S59-A63 PolarHBondContact O-N 3.43Å; H60-A63 PolarHBondContact O-N 3.17Å; H60-A63 VanDerWaalsContact O-N 3.16Å; I61-A63 VanDerWaalsContact C-N 3.35Å; I61-A63 PolarHBondContact O-N 3.28Å; A63-I124 HydrophobicContact CB-CB 4.48Å; A63-I124 HydrophobicContact CB-CD1 4.15Å; A63-I124 HydrophobicContact CB-CG2 4.1Å; A63-N126 PolarHBondContact O-ND2 3.34Å; A63-N132 PolarHBondContact O-ND2 3.24Å; A63-N132 VanDerWaalsContact O-ND2 3.13Å; A63-F136 HydrophobicContact CB-CB 4.5Å |
| 64 | A | 95 | Very high | 91.5 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.2 | -40.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H60 I61 C62 I124 N126 | H60-A64 WeakPolarHBondContact O-CB 3.49Å; H60-A64 PolarHBondContact O-N 3.45Å; I61-A64 PolarHBondContact O-N 2.95Å; I61-A64 VanDerWaalsContact O-N 3.16Å; C62-A64 VanDerWaalsContact C-N 3.33Å; C62-A64 PolarHBondContact O-N 3.19Å; A64-I124 VanDerWaalsContact CA-O 3.24Å; A64-I124 WeakPolarHBondContact CA-O 3.2Å; A64-I124 HydrophobicContact CB-CB 4.33Å; A64-I124 WeakPolarHBondContact CB-O 3.34Å; A64-N126 PolarHBondContact O-ND2 3.15Å |
| 65 | V | 92.5 | Very high | 89.6 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -97.2 | -18.7 | -173 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | I61 | I61-V65 HydrophobicContact CG2-CG1 4.33Å; I61-V65 HydrophobicContact CG2-CG2 4.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.14Å; I61-V65 PolarHBondContact O-N 3.45Å |
| 66 | T | 92.1 | Very high | 88 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -71.6 | 138.4 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | C62 N126 N132 Y135 Y272 | C62-T66 WeakPolarHBondContact O-CB 3.31Å; C62-T66 PolarHBondContact O-N 2.73Å; C62-T66 PolarHBondContact O-OG1 3.26Å; T66-N126 PolarHBondContact O-ND2 2.84Å; T66-N132 HydrophobicContact CG2-CB 3.97Å; T66-Y135 HydrophobicContact CG2-CD2 4.41Å; T66-Y135 HydrophobicContact CG2-CE2 4.08Å; T66-Y272 HydrophobicContact CG2-CD2 4.11Å; T66-Y272 HydrophobicContact CG2-CE2 3.66Å |
| 67 | D | 92.2 | Very high | 86.4 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | trans | -61.5 | 124.6 | 172.4 | -171 | -64.2 | 0 | 0 | 0 | 109.8 | V2 G69 L70 C131 | V2-D67 HydrophobicContact CG2-CB 4.05Å; D67-G69 PolarHBondContact O-N 2.84Å; D67-G69 WeakPolarHBondContact OD1-CA 3.09Å; D67-G69 PolarHBondContact OD1-N 3.45Å; D67-L70 PolarHBondContact OD1-N 3.36Å; D67-L70 WeakPolarHBondContact OD2-CG 3.46Å; D67-C131 WeakPolarHBondContact O-CB 3.5Å | ||
| 68 | P | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -74 | -5.1 | -176 | 32 | -38.2 | 0 | 0 | 0 | 113.9 | L70 V114 C127 G129 E130 C131 | P68-L70 HydrophobicContact CG-CD2 3.81Å; P68-L70 HydrophobicContact CG-CG 4.17Å; P68-V114 HydrophobicContact CB-CG1 3.89Å; P68-V114 HydrophobicContact CG-CG1 4.04Å; P68-C127 HydrophobicContact CB-CB 4.09Å; P68-C127 WeakPolarHBondContact CB-O 3.41Å; P68-C127 HydrophobicContact CG-CB 3.94Å; P68-G129 CarbonylContact O-C 3.23Å; P68-G129 VanDerWaalsContact O-C 3.23Å; P68-G129 WeakPolarHBondContact O-CA 3.45Å; P68-E130 PolarHBondContact O-N 3.37Å; P68-E130 VanDerWaalsContact O-N 3.11Å; P68-C131 PolarHBondContact O-N 3.12Å | ||
| 69 | G | 92 | Very high | 83.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | 110.7 | 42.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.2 | D67 R115 | D67-G69 PolarHBondContact O-N 2.84Å; D67-G69 WeakPolarHBondContact OD1-CA 3.09Å; D67-G69 PolarHBondContact OD1-N 3.45Å; G69-R115 WeakPolarHBondContact O-CG 3.36Å; G69-R115 PolarHBondContact O-N 3.11Å | ||
| 70 | L | 91.4 | Very high | 82.1 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -63 | 133.8 | 178.9 | -60 | -174.1 | 0 | 0 | 0 | 111.4 | V2 D67 P68 R112 V114 Y277 | V2-L70 HydrophobicContact CG1-CD1 4.04Å; V2-L70 HydrophobicContact CG2-CD1 3.78Å; V2-L70 HydrophobicContact CG2-CG 4.49Å; D67-L70 PolarHBondContact OD1-N 3.36Å; D67-L70 WeakPolarHBondContact OD2-CG 3.46Å; P68-L70 HydrophobicContact CG-CD2 3.81Å; P68-L70 HydrophobicContact CG-CG 4.17Å; L70-R112 HydrophobicContact CD1-CG 4.4Å; L70-R112 HydrophobicContact CD2-CB 3.8Å; L70-R112 HydrophobicContact CD2-CG 4.39Å; L70-V114 HydrophobicContact CD2-CG2 3.83Å; L70-Y277 VanDerWaalsContact O-CE1 3.23Å; L70-Y277 WeakPolarHBondContact O-CE1 3.28Å; L70-Y277 PolarHBondContact O-OH 3.32Å |
| 71 | I | 89.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 134 | 173.4 | -57.3 | 177.6 | 0 | 0 | 0 | 109.5 | L73 I98 P101 A104 R112 C113 R115 Y281 | I71-L73 PolarHBondContact O-N 3.17Å; I71-I98 HydrophobicContact CB-CD1 3.81Å; I71-I98 HydrophobicContact CD1-CD1 4.1Å; I71-I98 HydrophobicContact CG2-CD1 3.45Å; I71-I98 VanDerWaalsContact CG2-CD1 3.45Å; I71-P101 VanDerWaalsContact CD1-CD 3.47Å; I71-P101 HydrophobicContact CD1-CG 4.13Å; I71-A104 HydrophobicContact CD1-CB 3.95Å; I71-R112 PolarHBondContact O-NH2 3.19Å; I71-C113 HydrophobicContact CB-CB 4.33Å; I71-C113 HydrophobicContact CD1-CB 3.68Å; I71-C113 HydrophobicContact CG1-CB 4.19Å; I71-C113 PolarHBondContact N-O 3.11Å; I71-R115 HydrophobicContact CD1-CG 4.42Å; I71-R115 HydrophobicContact CG1-CG 3.97Å; I71-Y281 HydrophobicContact CG2-CD1 4.35Å; I71-Y281 HydrophobicContact CG2-CE1 3.63Å; I71-Y281 HydrophobicContact CG2-CE2 3.83Å; I71-Y281 VanDerWaalsContact CG2-OH 3.27Å; I71-Y281 WeakPolarHBondContact CG2-OH 3.37Å |
| 72 | P | 83 | Confident | 79.5 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 132 | 177.5 | 25.6 | -34.8 | 0 | 0 | 0 | 111.4 | Y281 | P72-Y281 HydrophobicContact CG-CG 4.45Š|
| 73 | L | 75 | Confident | 78.3 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | trans | -101.6 | -33.7 | 177.7 | -65 | -175.7 | 0 | 0 | 0 | 113.3 | I71 Q75 C96 I98 R112 | I71-L73 PolarHBondContact O-N 3.17Å; L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 2.92Å; L73-C96 HydrophobicContact CD2-CB 3.57Å; L73-I98 HydrophobicContact CD2-CD1 4.12Å; L73-I98 HydrophobicContact CD2-CG1 4.41Å; L73-I98 HydrophobicContact CD2-CG2 4.1Å; L73-R112 VanDerWaalsContact CD1-CD 3.4Å | ||
| 74 | H | 62.5 | Low | 77.2 | Confident | 148 Ų | 148 | 48.7 Ų | 48.7 | 69% | 0.685 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 24.7 | -152.9 | 50.8 | 65.4 | 0 | 0 | 0 | 115 | ||
| 75 | Q | 56.9 | Low | 76.3 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -4.5 | -174.3 | -81.2 | 164 | -26.5 | 0 | 0 | 114.3 | L73 | L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 2.92Å |
| 76 | Y | 62.3 | Low | 75.9 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 12% | 0.122 | 32% | 0.324 | C | S | . | . | trans | -129 | 114.4 | -164.4 | -45.6 | -51.1 | 0 | 0 | 0 | 111.2 | Y281 L284 I288 | Y76-Y281 HydrophobicContact CE2-CD1 4.28Å; Y76-Y281 PolarHBondContact OH-O 3.21Å; Y76-L284 HydrophobicContact CD1-CD1 4.38Å; Y76-L284 HydrophobicContact CD1-CD2 3.49Å; Y76-L284 VanDerWaalsContact CD1-CD2 3.49Å; Y76-L284 HydrophobicContact CD1-CG 3.61Å; Y76-L284 HydrophobicContact CD2-CD2 3.85Å; Y76-L284 HydrophobicContact CE1-CB 4.06Å; Y76-L284 HydrophobicContact CE1-CD1 4.42Å; Y76-L284 HydrophobicContact CE1-CD2 3.37Å; Y76-L284 HydrophobicContact CE1-CG 3.28Å; Y76-L284 HydrophobicContact CE2-CD2 3.71Å; Y76-L284 HydrophobicContact CE2-CG 4.49Å; Y76-L284 HydrophobicContact CG-CD2 3.74Å; Y76-L284 HydrophobicContact CG-CG 4.36Å; Y76-L284 VanDerWaalsContact CZ-CD2 3.45Å; Y76-I288 HydrophobicContact CD1-CD1 3.24Å; Y76-I288 HydrophobicContact CE1-CD1 3.63Å; Y76-I288 HydrophobicContact CG-CD1 4.43Å | ||
| 77 | T | 64.4 | Low | 75.5 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | trans | -66.9 | 152.9 | 162.7 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | N79 Q80 L81 | T77-N79 PolarHBondContact O-N 3.24Å; T77-N79 VanDerWaalsContact O-N 3.15Å; T77-Q80 PolarHBondContact O-N 3.38Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.43Å; T77-Q80 VanDerWaalsContact OG1-CD 3.27Å; T77-Q80 WeakPolarHBondContact OG1-CG 2.97Å; T77-Q80 PolarHBondContact OG1-N 3.12Å; T77-Q80 VanDerWaalsContact OG1-N 3.12Å; T77-Q80 PolarHBondContact OG1-OE1 3.18Å; T77-L81 PolarHBondContact O-N 2.93Å | ||
| 78 | A | 67.8 | Low | 75.1 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.9 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A82 | A78-A82 WeakPolarHBondContact O-CB 3.09Å; A78-A82 PolarHBondContact O-N 3.25Å |
| 79 | N | 66.2 | Low | 74.4 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.8 | -43.8 | 176.3 | -66.1 | -10.8 | 0 | 0 | 0 | 112.6 | T77 L81 A82 S83 | T77-N79 PolarHBondContact O-N 3.24Å; T77-N79 VanDerWaalsContact O-N 3.15Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.26Å; N79-A82 PolarHBondContact O-N 2.1Å; N79-S83 WeakPolarHBondContact O-CB 3.48Å; N79-S83 PolarHBondContact O-N 3.27Å; N79-S83 PolarHBondContact O-OG 3.45Å |
| 80 | Q | 67.2 | Low | 74.2 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.1 | -79.7 | 165.3 | -32.7 | 0 | 0 | 111.3 | T77 S83 V84 I288 | T77-Q80 PolarHBondContact O-N 3.38Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.43Å; T77-Q80 VanDerWaalsContact OG1-CD 3.27Å; T77-Q80 WeakPolarHBondContact OG1-CG 2.97Å; T77-Q80 PolarHBondContact OG1-N 3.12Å; T77-Q80 VanDerWaalsContact OG1-N 3.12Å; T77-Q80 PolarHBondContact OG1-OE1 3.18Å; Q80-S83 PolarHBondContact O-N 2.94Å; Q80-S83 PolarHBondContact O-OG 3.38Å; Q80-V84 PolarHBondContact O-N 2.87Å; Q80-I288 HydrophobicContact CB-CD1 3.93Å; Q80-I288 HydrophobicContact CB-CG1 4.47Å; Q80-I288 HydrophobicContact CG-CD1 4.11Å; Q80-I288 HydrophobicContact CG-CG1 4.21Å |
| 81 | L | 68.7 | Low | 74 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.3 | -38.9 | 177.8 | -163.9 | 75.7 | 0 | 0 | 0 | 112.4 | T77 N79 S83 V84 G97 I98 Y280 L284 | T77-L81 PolarHBondContact O-N 2.93Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.26Å; L81-S83 PolarHBondContact O-N 3.18Å; L81-V84 PolarHBondContact O-N 3.2Å; L81-V84 VanDerWaalsContact O-N 3.07Å; L81-G97 WeakPolarHBondContact CD2-O 3.25Å; L81-I98 VanDerWaalsContact CD2-CA 3.42Å; L81-I98 HydrophobicContact CD2-CB 4.5Å; L81-Y280 VanDerWaalsContact CD1-OH 3.31Å; L81-Y280 WeakPolarHBondContact CD1-OH 3.36Å; L81-L284 HydrophobicContact CD1-CD2 3.64Å |
| 82 | A | 68.3 | Low | 73.8 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 70% | 0.702 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -29.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A78 N79 V84 | A78-A82 WeakPolarHBondContact O-CB 3.09Å; A78-A82 PolarHBondContact O-N 3.25Å; N79-A82 PolarHBondContact O-N 2.1Å; A82-V84 VanDerWaalsContact C-N 3.3Å |
| 83 | S | 68.4 | Low | 74.1 | Confident | 94 Ų | 94 | 72 Ų | 72 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75 | -18.2 | 175.7 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | N79 Q80 L81 | N79-S83 WeakPolarHBondContact O-CB 3.48Å; N79-S83 PolarHBondContact O-N 3.27Å; N79-S83 PolarHBondContact O-OG 3.45Å; Q80-S83 PolarHBondContact O-N 2.94Å; Q80-S83 PolarHBondContact O-OG 3.38Å; L81-S83 PolarHBondContact O-N 3.18Å |
| 84 | V | 72.3 | Confident | 74.6 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 25% | 0.248 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -101.9 | 120.2 | 180 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | Q80 L81 A82 K86 Y280 L284 | Q80-V84 PolarHBondContact O-N 2.87Å; L81-V84 PolarHBondContact O-N 3.2Å; L81-V84 VanDerWaalsContact O-N 3.07Å; A82-V84 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 3.38Å; V84-Y280 HydrophobicContact CG1-CE2 3.68Å; V84-L284 HydrophobicContact CB-CD1 3.92Å; V84-L284 HydrophobicContact CG1-CD1 4.16Å; V84-L284 HydrophobicContact CG2-CD1 3.4Å; V84-L284 VanDerWaalsContact CG2-CD1 3.4Å |
| 85 | Q | 77.2 | Confident | 75.8 | Confident | 170 Ų | 170 | 76 Ų | 76 | 79% | 0.794 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 126.4 | 179.8 | -172.2 | 174.5 | -0.8 | 0 | 0 | 111.2 | P87 | Q85-P87 WeakPolarHBondContact O-CD 3.36Š|
| 86 | K | 83.2 | Confident | 77.2 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 124.7 | 171 | -176 | -177.1 | 73.8 | 177.7 | 0 | 108.9 | V84 W90 H99 | V84-K86 PolarHBondContact O-N 3.38Å; K86-W90 WeakPolarHBondContact CD-O 3.29Å; K86-W90 WeakPolarHBondContact CE-O 3.35Å; K86-W90 HydrophobicContact CG-CB 4.05Å; K86-H99 HydrophobicContact CG-CB 4.29Å |
| 87 | P | 84.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 154.3 | 176.5 | -18 | 30.1 | 0 | 0 | 0 | 112.1 | Q85 W90 Y280 | Q85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-W90 HydrophobicContact CB-CD2 4.19Å; P87-W90 HydrophobicContact CB-CG 3.93Å; P87-W90 HydrophobicContact CG-CD2 3.93Å; P87-W90 HydrophobicContact CG-CE3 4.38Å; P87-W90 HydrophobicContact CG-CG 4.12Å; P87-W90 VanDerWaalsContact O-CB 3.31Å; P87-W90 WeakPolarHBondContact O-CB 3.36Å; P87-W90 PolarHBondContact O-N 2.77Å; P87-W90 VanDerWaalsContact O-N 3.16Å; P87-Y280 HydrophobicContact CG-CD2 3.43Å; P87-Y280 VanDerWaalsContact CG-CD2 3.43Å; P87-Y280 HydrophobicContact CG-CE2 3.82Å; P87-Y280 HydrophobicContact CG-CG 4.13Å |
| 88 | D | 82.9 | Confident | 79.2 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 82% | 0.824 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 138.4 | 178.8 | -61.8 | -36.7 | 0 | 0 | 0 | 111.9 | W90 | D88-W90 PolarHBondContact O-N 3.16Š|
| 89 | G | 79.6 | Confident | 80.2 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 90 | W | 86.8 | Confident | 81.2 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | trans | -87.9 | 147.1 | 174.2 | -69.7 | 46.1 | 0 | 0 | 0 | 111 | K86 P87 D88 H99 R100 P101 P278 Y280 Y281 | K86-W90 WeakPolarHBondContact CD-O 3.29Å; K86-W90 WeakPolarHBondContact CE-O 3.35Å; K86-W90 HydrophobicContact CG-CB 4.05Å; P87-W90 HydrophobicContact CB-CD2 4.19Å; P87-W90 HydrophobicContact CB-CG 3.93Å; P87-W90 HydrophobicContact CG-CD2 3.93Å; P87-W90 HydrophobicContact CG-CE3 4.38Å; P87-W90 HydrophobicContact CG-CG 4.12Å; P87-W90 VanDerWaalsContact O-CB 3.31Å; P87-W90 WeakPolarHBondContact O-CB 3.36Å; P87-W90 PolarHBondContact O-N 2.77Å; P87-W90 VanDerWaalsContact O-N 3.16Å; D88-W90 PolarHBondContact O-N 3.16Å; W90-H99 HydrophobicContact CE3-CB 4.15Å; W90-R100 WeakPolarHBondContact CA-O 3.44Å; W90-R100 VanDerWaalsContact CB-O 3.31Å; W90-R100 WeakPolarHBondContact CB-O 3.36Å; W90-P101 VanDerWaalsContact CD2-CA 3.47Å; W90-P101 HydrophobicContact CD2-CB 4.25Å; W90-P101 HydrophobicContact CE3-CB 4.21Å; W90-P101 VanDerWaalsContact CE3-N 3.31Å; W90-P101 HydrophobicContact CH2-CB 3.66Å; W90-P101 HydrophobicContact CH2-CG 4.34Å; W90-P101 HydrophobicContact CZ2-CB 3.69Å; W90-P101 HydrophobicContact CZ3-CB 3.93Å; W90-P101 HydrophobicContact CZ3-CG 4.38Å; W90-P278 HydrophobicContact CH2-CB 3.7Å; W90-P278 HydrophobicContact CH2-CG 4.07Å; W90-P278 HydrophobicContact CZ2-CB 4.05Å; W90-Y280 HydrophobicContact CE3-CD1 4.43Å; W90-Y280 AromaticContact CH2-CD1 3.97Å; W90-Y280 HydrophobicContact CH2-CD1 3.97Å; W90-Y280 AromaticContact CH2-CG 3.95Å; W90-Y280 HydrophobicContact CH2-CG 3.95Å; W90-Y280 AromaticContact CZ3-CD1 3.63Å; W90-Y280 HydrophobicContact CZ3-CD1 3.63Å; W90-Y280 HydrophobicContact CZ3-CE1 4.31Å; W90-Y280 AromaticContact CZ3-CG 3.96Å; W90-Y280 HydrophobicContact CZ3-CG 3.96Å; W90-Y281 HydrophobicContact CH2-CD2 4.5Å; W90-Y281 AromaticContact CH2-CE2 3.93Å; W90-Y281 HydrophobicContact CH2-CE2 3.93Å; W90-Y281 AromaticContact CZ3-CE2 3.79Å; W90-Y281 HydrophobicContact CZ3-CE2 3.79Å; W90-Y281 AromaticContact CZ3-CZ 3.79Å | ||
| 91 | T | 87.1 | Confident | 82.2 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 165.1 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | H99 R100 | T91-H99 CarbonylContact O-C 3.45Å; T91-H99 WeakPolarHBondContact O-CA 3.13Å; T91-R100 PolarHBondContact N-O 3.19Å; T91-R100 VanDerWaalsContact N-O 3.16Å; T91-R100 PolarHBondContact O-N 2.92Å |
| 92 | T | 85.9 | Confident | 83 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.7 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | H99 | T92-H99 PolarHBondContact OG1-CE1 3.13Å; T92-H99 PolarHBondContact OG1-ND1 3.1Å |
| 93 | C | 89.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.7 | 174.3 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | K95 C96 G97 I98 R100 C113 | C93-K95 VanDerWaalsContact C-N 3.27Å; C93-K95 PolarHBondContact O-N 2.79Å; C93-C96 HydrophobicContact CB-CB 3.98Å; C93-C96 PolarHBondContact O-N 3.43Å; C93-C96 WeakPolarHBondContact SG-CB 3.09Å; C93-C96 PolarHBondContact SG-N 2.99Å; C93-C96 VanDerWaalsContact SG-N 3.35Å; C93-G97 WeakPolarHBondContact O-CA 3.4Å; C93-G97 PolarHBondContact O-N 3Å; C93-I98 HydrophobicContact CB-CG1 4Å; C93-I98 WeakPolarHBondContact CB-O 3.32Å; C93-I98 PolarHBondContact N-O 3.43Å; C93-R100 HydrophobicContact CB-CG 3.94Å; C93-R100 PolarHBondContact SG-NH2 3.19Å; C93-C113 PolarHBondContact SG-SG 3.16Å |
| 94 | N | 86.5 | Confident | 85 | Confident | 150 Ų | 150 | 59 Ų | 59 | 80% | 0.802 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.6 | 177.5 | -59.4 | -6.5 | 0 | 0 | 0 | 112.3 | C96 | N94-C96 VanDerWaalsContact C-N 3.31Å; N94-C96 PolarHBondContact O-N 3.42Å |
| 95 | K | 87.2 | Confident | 85.9 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.3 | -179.6 | -63.6 | -172.2 | 178.2 | -165.7 | 0 | 115.1 | C93 H106 | C93-K95 VanDerWaalsContact C-N 3.27Å; C93-K95 PolarHBondContact O-N 2.79Å; K95-H106 WeakPolarHBondContact CD-NE2 3.24Å |
| 96 | C | 86.3 | Confident | 86.7 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -10.3 | -177.2 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | L73 C93 N94 I98 H106 | L73-C96 HydrophobicContact CD2-CB 3.57Å; C93-C96 HydrophobicContact CB-CB 3.98Å; C93-C96 PolarHBondContact O-N 3.43Å; C93-C96 WeakPolarHBondContact SG-CB 3.09Å; C93-C96 PolarHBondContact SG-N 2.99Å; C93-C96 VanDerWaalsContact SG-N 3.35Å; N94-C96 VanDerWaalsContact C-N 3.31Å; N94-C96 PolarHBondContact O-N 3.42Å; C96-I98 VanDerWaalsContact C-N 3.27Å; C96-I98 HydrophobicContact CB-CD1 4.19Å; C96-I98 HydrophobicContact CB-CG1 3.65Å; C96-I98 PolarHBondContact O-N 3.25Å; C96-H106 PolarHBondContact SG-CE1 2.87Å; C96-H106 PolarHBondContact SG-ND1 2.92Å |
| 97 | G | 84 | Confident | 87.2 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L81 C93 | L81-G97 WeakPolarHBondContact CD2-O 3.25Å; C93-G97 WeakPolarHBondContact O-CA 3.4Å; C93-G97 PolarHBondContact O-N 3Å |
| 98 | I | 85 | Confident | 87.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.7 | -179.7 | 58.3 | 162.5 | 0 | 0 | 0 | 112.2 | I71 L73 L81 C93 C96 C113 | I71-I98 HydrophobicContact CB-CD1 3.81Å; I71-I98 HydrophobicContact CD1-CD1 4.1Å; I71-I98 HydrophobicContact CG2-CD1 3.45Å; I71-I98 VanDerWaalsContact CG2-CD1 3.45Å; L73-I98 HydrophobicContact CD2-CD1 4.12Å; L73-I98 HydrophobicContact CD2-CG1 4.41Å; L73-I98 HydrophobicContact CD2-CG2 4.1Å; L81-I98 VanDerWaalsContact CD2-CA 3.42Å; L81-I98 HydrophobicContact CD2-CB 4.5Å; C93-I98 HydrophobicContact CB-CG1 4Å; C93-I98 WeakPolarHBondContact CB-O 3.32Å; C93-I98 PolarHBondContact N-O 3.43Å; C96-I98 VanDerWaalsContact C-N 3.27Å; C96-I98 HydrophobicContact CB-CD1 4.19Å; C96-I98 HydrophobicContact CB-CG1 3.65Å; C96-I98 PolarHBondContact O-N 3.25Å; I98-C113 HydrophobicContact CD1-CB 3.96Å |
| 99 | H | 87.4 | Confident | 87.9 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 136.2 | 160.8 | -59.6 | -50.1 | 0 | 0 | 0 | 108.6 | K86 W90 T91 T92 Y280 Y281 | K86-H99 HydrophobicContact CG-CB 4.29Å; W90-H99 HydrophobicContact CE3-CB 4.15Å; T91-H99 CarbonylContact O-C 3.45Å; T91-H99 WeakPolarHBondContact O-CA 3.13Å; T92-H99 PolarHBondContact OG1-CE1 3.13Å; T92-H99 PolarHBondContact OG1-ND1 3.1Å; H99-Y280 PolarHBondContact CD2-OH 3.47Å; H99-Y281 PolarHBondContact O-OH 2.88Å |
| 100 | R | 88.5 | Confident | 88.4 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.5 | -178.8 | -60.1 | -178.6 | -173.8 | 136.3 | 1.9 | 108.6 | W90 T91 C93 A104 C113 | W90-R100 WeakPolarHBondContact CA-O 3.44Å; W90-R100 VanDerWaalsContact CB-O 3.31Å; W90-R100 WeakPolarHBondContact CB-O 3.36Å; T91-R100 PolarHBondContact N-O 3.19Å; T91-R100 VanDerWaalsContact N-O 3.16Å; T91-R100 PolarHBondContact O-N 2.92Å; C93-R100 HydrophobicContact CB-CG 3.94Å; C93-R100 PolarHBondContact SG-NH2 3.19Å; R100-A104 HydrophobicContact CB-CB 4.19Å; R100-A104 WeakPolarHBondContact CD-O 3.46Å; R100-C113 PolarHBondContact NE-SG 3.38Å |
| 101 | P | 88.3 | Confident | 88.7 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60 | 160.5 | 169.5 | 27.2 | -32.3 | 0 | 0 | 0 | 110.1 | I71 W90 R103 A104 R115 P278 Y281 | I71-P101 VanDerWaalsContact CD1-CD 3.47Å; I71-P101 HydrophobicContact CD1-CG 4.13Å; W90-P101 VanDerWaalsContact CD2-CA 3.47Å; W90-P101 HydrophobicContact CD2-CB 4.25Å; W90-P101 HydrophobicContact CE3-CB 4.21Å; W90-P101 VanDerWaalsContact CE3-N 3.31Å; W90-P101 HydrophobicContact CH2-CB 3.66Å; W90-P101 HydrophobicContact CH2-CG 4.34Å; W90-P101 HydrophobicContact CZ2-CB 3.69Å; W90-P101 HydrophobicContact CZ3-CB 3.93Å; W90-P101 HydrophobicContact CZ3-CG 4.38Å; P101-R103 PolarHBondContact O-N 3.36Å; P101-A104 HydrophobicContact CG-CB 3.79Å; P101-A104 WeakPolarHBondContact O-CB 3.4Å; P101-A104 PolarHBondContact O-N 2.72Å; P101-A104 VanDerWaalsContact O-N 3.15Å; P101-R115 HydrophobicContact CG-CG 4.25Å; P101-P278 HydrophobicContact CB-CG 4.33Å; P101-P278 HydrophobicContact CG-CG 4.38Å; P101-Y281 VanDerWaalsContact CD-OH 3.31Å; P101-Y281 WeakPolarHBondContact CD-OH 3.37Å |
| 102 | P | 85.2 | Confident | 88.9 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 143.5 | 169.5 | -26.6 | 34.4 | 0 | 0 | 0 | 110.1 | A104 | P102-A104 PolarHBondContact O-N 3.33Š|
| 103 | R | 87.2 | Confident | 89.2 | Confident | 41 Ų | 41 | 56 Ų | 56 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 1.4 | 177.7 | -37.2 | -173.9 | 62 | 179.7 | 1.8 | 115.7 | P101 H105 R116 M117 D208 E213 | P101-R103 PolarHBondContact O-N 3.36Å; R103-H105 PolarHBondContact O-CD2 2.75Å; R103-R116 WeakPolarHBondContact O-CA 3.38Å; R103-R116 PolarHBondContact O-N 3.15Å; R103-M117 PolarHBondContact O-N 2.83Å; R103-D208 VanDerWaalsContact CZ-O 3.29Å; R103-D208 IonicContact CZ-OD1 2.99Å; R103-D208 PolarHBondContact NH1-O 2.82Å; R103-D208 IonicContact NH1-OD1 3.25Å; R103-D208 PolarHBondContact NH1-OD1 2.82Å; R103-D208 IonicContact NH1-OD2 3.52Å; R103-D208 PolarHBondContact NH2-O 3.13Å; R103-D208 IonicContact NH2-OD1 3.82Å; R103-E213 WeakPolarHBondContact CA-OE1 3.36Å; R103-E213 WeakPolarHBondContact CB-OE1 3.32Å; R103-E213 WeakPolarHBondContact CG-OE1 3.45Å; R103-E213 IonicContact CZ-OE1 3.25Å; R103-E213 IonicContact CZ-OE2 2.86Å; R103-E213 IonicContact NE-OE1 3.8Å; R103-E213 PolarHBondContact NE-OE1 3.32Å; R103-E213 IonicContact NE-OE2 3.38Å; R103-E213 PolarHBondContact NE-OE2 2.94Å; R103-E213 IonicContact NH2-OE1 3.68Å; R103-E213 IonicContact NH2-OE2 2.87Å; R103-E213 PolarHBondContact NH2-OE2 3.48Å |
| 104 | A | 90.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | trans | -91 | 134 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I71 R100 P101 P102 V114 | I71-A104 HydrophobicContact CD1-CB 3.95Å; R100-A104 HydrophobicContact CB-CB 4.19Å; R100-A104 WeakPolarHBondContact CD-O 3.46Å; P101-A104 HydrophobicContact CG-CB 3.79Å; P101-A104 WeakPolarHBondContact O-CB 3.4Å; P101-A104 PolarHBondContact O-N 2.72Å; P101-A104 VanDerWaalsContact O-N 3.15Å; P102-A104 PolarHBondContact O-N 3.33Å; A104-V114 VanDerWaalsContact CA-O 3.26Å; A104-V114 WeakPolarHBondContact CA-O 3.48Å; A104-V114 WeakPolarHBondContact CB-O 3.44Å | ||
| 105 | H | 92.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.3 | -178.7 | -59.4 | -77.3 | 0 | 0 | 0 | 111.3 | R103 C113 V114 M117 V212 | R103-H105 PolarHBondContact O-CD2 2.75Å; H105-C113 WeakPolarHBondContact O-CA 3.19Å; H105-V114 PolarHBondContact N-O 3.2Å; H105-V114 VanDerWaalsContact N-O 3.17Å; H105-V114 PolarHBondContact O-N 3.29Å; H105-M117 HydrophobicContact CB-CB 4.06Å; H105-M117 HydrophobicContact CB-SD 3.92Å; H105-V212 VanDerWaalsContact CE1-CG1 3.42Å; H105-V212 WeakPolarHBondContact CE1-CG1 3.26Å |
| 106 | H | 93 | Very high | 89.7 | Confident | 37 Ų | 37 | 44 Ų | 44 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.5 | 176.1 | -179.2 | 97.2 | 0 | 0 | 0 | 110.2 | K95 C96 | K95-H106 WeakPolarHBondContact CD-NE2 3.24Å; C96-H106 PolarHBondContact SG-CE1 2.87Å; C96-H106 PolarHBondContact SG-ND1 2.92Å |
| 107 | C | 93.3 | Very high | 90 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.6 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | I109 C110 R111 R112 V114 M117 C127 | C107-I109 VanDerWaalsContact C-N 3.3Å; C107-I109 PolarHBondContact O-N 3.49Å; C107-I109 PolarHBondContact SG-N 3.04Å; C107-I109 VanDerWaalsContact SG-N 3.45Å; C107-C110 HydrophobicContact CB-CB 3.83Å; C107-C110 PolarHBondContact SG-N 2.75Å; C107-R111 VanDerWaalsContact O-CA 3.27Å; C107-R111 WeakPolarHBondContact O-CA 3.47Å; C107-R111 PolarHBondContact O-N 2.83Å; C107-R112 PolarHBondContact N-O 3.48Å; C107-R112 PolarHBondContact O-N 2.78Å; C107-V114 HydrophobicContact CB-CG2 4.5Å; C107-M117 HydrophobicContact CB-CE 3.58Å; C107-M117 HydrophobicContact CB-SD 3.84Å; C107-C127 WeakPolarHBondContact CB-SG 3.39Å; C107-C127 PolarHBondContact SG-SG 3.33Å |
| 108 | R | 91.7 | Very high | 90.3 | Very high | 194 Ų | 194 | 42.1 Ų | 42.1 | 73% | 0.732 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -32.8 | 177.8 | -60.9 | -178.4 | -177.1 | -175.8 | 0.9 | 112.4 | R111 | R108-R111 VanDerWaalsContact O-CG 3.32Å; R108-R111 WeakPolarHBondContact O-CG 3.43Å |
| 109 | I | 91.1 | Very high | 90.7 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 49% | 0.492 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -53 | -179.9 | -55.6 | 166.9 | 0 | 0 | 0 | 109.8 | C107 R111 H120 | C107-I109 VanDerWaalsContact C-N 3.3Å; C107-I109 PolarHBondContact O-N 3.49Å; C107-I109 PolarHBondContact SG-N 3.04Å; C107-I109 VanDerWaalsContact SG-N 3.45Å; I109-R111 PolarHBondContact O-N 3.28Å; I109-H120 HydrophobicContact CD1-CB 4.25Å; I109-H120 WeakPolarHBondContact CD1-CD2 3.21Å; I109-H120 WeakPolarHBondContact CG2-NE2 3.49Å |
| 110 | C | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.8 | 174.9 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | R4 C107 R112 H120 C127 | R4-C110 PolarHBondContact NH2-O 2.78Å; R4-C110 VanDerWaalsContact NH2-O 3.12Å; C107-C110 HydrophobicContact CB-CB 3.83Å; C107-C110 PolarHBondContact SG-N 2.75Å; C110-R112 VanDerWaalsContact O-CG 3.3Å; C110-R112 WeakPolarHBondContact O-CG 3.32Å; C110-R112 PolarHBondContact O-N 3Å; C110-H120 PolarHBondContact SG-ND1 3.13Å; C110-C127 WeakPolarHBondContact CB-SG 3.45Å; C110-C127 WeakPolarHBondContact SG-CB 3.33Å; C110-C127 CovalentContact SG-SG 2.1Å; C110-C127 PolarHBondContact SG-SG 3.34Å |
| 111 | R | 91.2 | Very high | 91.4 | Very high | 200 Ų | 200 | 43.2 Ų | 43.2 | 76% | 0.755 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 33.6 | -173.2 | -62 | -174.7 | -177.2 | 178.1 | 1.2 | 114 | C107 R108 I109 | C107-R111 VanDerWaalsContact O-CA 3.27Å; C107-R111 WeakPolarHBondContact O-CA 3.47Å; C107-R111 PolarHBondContact O-N 2.83Å; R108-R111 VanDerWaalsContact O-CG 3.32Å; R108-R111 WeakPolarHBondContact O-CG 3.43Å; I109-R111 PolarHBondContact O-N 3.28Å |
| 112 | R | 92 | Very high | 91.7 | Very high | 54 Ų | 54 | 45 Ų | 45 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.3 | -173.1 | -66.2 | -67.3 | -72 | -90.2 | -3 | 110.1 | L70 I71 L73 C107 C110 | L70-R112 HydrophobicContact CD1-CG 4.4Å; L70-R112 HydrophobicContact CD2-CB 3.8Å; L70-R112 HydrophobicContact CD2-CG 4.39Å; I71-R112 PolarHBondContact O-NH2 3.19Å; L73-R112 VanDerWaalsContact CD1-CD 3.4Å; C107-R112 PolarHBondContact N-O 3.48Å; C107-R112 PolarHBondContact O-N 2.78Å; C110-R112 VanDerWaalsContact O-CG 3.3Å; C110-R112 WeakPolarHBondContact O-CG 3.32Å; C110-R112 PolarHBondContact O-N 3Å |
| 113 | C | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.2 | 164.7 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | I71 C93 I98 R100 H105 | I71-C113 HydrophobicContact CB-CB 4.33Å; I71-C113 HydrophobicContact CD1-CB 3.68Å; I71-C113 HydrophobicContact CG1-CB 4.19Å; I71-C113 PolarHBondContact N-O 3.11Å; C93-C113 PolarHBondContact SG-SG 3.16Å; I98-C113 HydrophobicContact CD1-CB 3.96Å; R100-C113 PolarHBondContact NE-SG 3.38Å; H105-C113 WeakPolarHBondContact O-CA 3.19Å |
| 114 | V | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.8 | -179.5 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | P68 L70 A104 H105 C107 M117 C127 | P68-V114 HydrophobicContact CB-CG1 3.89Å; P68-V114 HydrophobicContact CG-CG1 4.04Å; L70-V114 HydrophobicContact CD2-CG2 3.83Å; A104-V114 VanDerWaalsContact CA-O 3.26Å; A104-V114 WeakPolarHBondContact CA-O 3.48Å; A104-V114 WeakPolarHBondContact CB-O 3.44Å; H105-V114 PolarHBondContact N-O 3.2Å; H105-V114 VanDerWaalsContact N-O 3.17Å; H105-V114 PolarHBondContact O-N 3.29Å; C107-V114 HydrophobicContact CB-CG2 4.5Å; V114-M117 HydrophobicContact CB-CB 3.92Å; V114-M117 HydrophobicContact CB-CG 4.06Å; V114-M117 HydrophobicContact CB-SD 4.37Å; V114-M117 HydrophobicContact CG1-CB 4.26Å; V114-M117 HydrophobicContact CG1-CG 4.44Å; V114-M117 HydrophobicContact CG2-SD 4.42Å; V114-C127 HydrophobicContact CG1-CB 4.44Å; V114-C127 HydrophobicContact CG2-CB 3.9Å |
| 115 | R | 91.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 137.6 | 175.4 | -67.7 | -175.2 | -64.2 | 138 | -17.2 | 110.8 | G69 I71 P101 M117 E130 K275 | G69-R115 WeakPolarHBondContact O-CG 3.36Å; G69-R115 PolarHBondContact O-N 3.11Å; I71-R115 HydrophobicContact CD1-CG 4.42Å; I71-R115 HydrophobicContact CG1-CG 3.97Å; P101-R115 HydrophobicContact CG-CG 4.25Å; R115-M117 PolarHBondContact O-N 2.86Å; R115-E130 IonicContact CZ-OE2 3.67Å; R115-E130 IonicContact NH1-OE2 2.77Å; R115-E130 PolarHBondContact NH1-OE2 2.79Å; R115-E130 PolarHBondContact O-N 2.91Å; R115-K275 PolarHBondContact NH2-O 2.94Å |
| 116 | R | 89.6 | Confident | 93 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 48.2 | -177.1 | -161.2 | -179.7 | 177 | 158.6 | -1.3 | 110.3 | R103 D118 E130 D208 T210 E256 | R103-R116 WeakPolarHBondContact O-CA 3.38Å; R103-R116 PolarHBondContact O-N 3.15Å; R116-D118 PolarHBondContact O-N 2.87Å; R116-E130 HydrophobicContact CB-CB 3.94Å; R116-E130 HydrophobicContact CB-CG 4.06Å; R116-D208 IonicContact CZ-OD1 3.9Å; R116-D208 IonicContact NH1-OD1 2.92Å; R116-D208 IonicContact NH2-OD1 2.69Å; R116-D208 PolarHBondContact NH2-OD1 3.48Å; R116-T210 HydrophobicContact CB-CG2 4.5Å; R116-T210 HydrophobicContact CG-CG2 3.66Å; R116-E256 IonicContact NH1-OE2 3.77Å; R116-E256 PolarHBondContact NH1-OE2 3.02Å |
| 117 | M | 91.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | trans | -64.9 | 122.8 | -176.1 | -175.3 | -179.9 | 164.9 | 0 | 0 | 108.5 | R103 H105 C107 V114 R115 T210 | R103-M117 PolarHBondContact O-N 2.83Å; H105-M117 HydrophobicContact CB-CB 4.06Å; H105-M117 HydrophobicContact CB-SD 3.92Å; C107-M117 HydrophobicContact CB-CE 3.58Å; C107-M117 HydrophobicContact CB-SD 3.84Å; V114-M117 HydrophobicContact CB-CB 3.92Å; V114-M117 HydrophobicContact CB-CG 4.06Å; V114-M117 HydrophobicContact CB-SD 4.37Å; V114-M117 HydrophobicContact CG1-CB 4.26Å; V114-M117 HydrophobicContact CG1-CG 4.44Å; V114-M117 HydrophobicContact CG2-SD 4.42Å; R115-M117 PolarHBondContact O-N 2.86Å; M117-T210 WeakPolarHBondContact O-CB 3.35Å | ||
| 118 | D | 91 | Very high | 93.2 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | trans | -86.1 | -67.6 | 171.6 | -164.9 | -112.7 | 0 | 0 | 0 | 109.3 | R116 V128 Q201 A211 | R116-D118 PolarHBondContact O-N 2.87Å; D118-V128 HydrophobicContact CB-CB 4.35Å; D118-V128 HydrophobicContact CB-CG1 4.23Å; D118-V128 PolarHBondContact N-O 2.98Å; D118-Q201 PolarHBondContact OD1-NE2 2.94Å; D118-A211 WeakPolarHBondContact OD2-CB 3.37Å; D118-A211 PolarHBondContact OD2-N 2.87Å | ||
| 119 | H | 93.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 29.6 Ų | 29.6 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 174.5 | 176.8 | 62.3 | -81.8 | 0 | 0 | 0 | 111.8 | C127 V128 F136 | H119-C127 CarbonylContact O-C 3.58Å; H119-C127 WeakPolarHBondContact O-CA 3.47Å; H119-V128 PolarHBondContact O-N 2.79Å; H119-F136 AromaticContact CE1-CE1 3.78Å; H119-F136 AromaticContact CE1-CZ 3.99Å; H119-F136 AromaticContact NE2-CZ 3.86Å |
| 120 | H | 94.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.139 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.1 | 164.9 | 179.5 | 89.1 | 0 | 0 | 0 | 109.1 | I109 C110 | I109-H120 HydrophobicContact CD1-CB 4.25Å; I109-H120 WeakPolarHBondContact CD1-CD2 3.21Å; I109-H120 WeakPolarHBondContact CG2-NE2 3.49Å; C110-H120 PolarHBondContact SG-ND1 3.13Å |
| 121 | C | 95.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.4 | -175.9 | -180 | 0 | 0 | 0 | 0 | 110.1 | W123 I124 N125 N126 V128 F136 | C121-W123 PolarHBondContact O-N 2.83Å; C121-I124 HydrophobicContact CB-CD1 4.21Å; C121-I124 HydrophobicContact CB-CG1 3.74Å; C121-I124 PolarHBondContact O-N 3.08Å; C121-N125 PolarHBondContact O-N 3.39Å; C121-N125 VanDerWaalsContact O-N 3.07Å; C121-N126 PolarHBondContact N-O 2.69Å; C121-N126 PolarHBondContact O-N 2.78Å; C121-V128 HydrophobicContact CB-CG2 4.15Å; C121-F136 HydrophobicContact CB-CE2 4.48Å |
| 122 | P | 94.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 17.9 Ų | 17.9 | 31% | 0.305 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -65.5 | -28.4 | 179.8 | 26.9 | -34 | 0 | 0 | 0 | 112.1 | C12 I124 N125 | C12-P122 HydrophobicContact CB-CB 4.49Å; C12-P122 VanDerWaalsContact CB-O 3.25Å; C12-P122 WeakPolarHBondContact CB-O 3.38Å; P122-I124 VanDerWaalsContact C-N 3.3Å; P122-I124 PolarHBondContact O-N 3.26Å; P122-N125 PolarHBondContact O-N 3.25Å |
| 123 | W | 95.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 15.7 Ų | 15.7 | 27% | 0.273 | 8% | 0.075 | S | C | . | . | G | 310 helix | trans | -68.2 | -23.8 | -179.4 | -63.1 | 105.6 | 0 | 0 | 0 | 114.8 | C12 I15 H60 C121 | C12-W123 HydrophobicContact CB-CD2 4.23Å; C12-W123 HydrophobicContact CB-CE3 3.84Å; C12-W123 HydrophobicContact CB-CZ3 4.3Å; I15-W123 HydrophobicContact CB-CZ3 4.25Å; I15-W123 HydrophobicContact CG2-CH2 4.39Å; I15-W123 HydrophobicContact CG2-CZ3 3.88Å; H60-W123 PolarHBondContact NE2-O 2.61Å; C121-W123 PolarHBondContact O-N 2.83Å |
| 124 | I | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -107.8 | 1.6 | 168.9 | 62.5 | 166.8 | 0 | 0 | 0 | 111.8 | A63 A64 C121 P122 N126 V128 F136 F139 | A63-I124 HydrophobicContact CB-CB 4.48Å; A63-I124 HydrophobicContact CB-CD1 4.15Å; A63-I124 HydrophobicContact CB-CG2 4.1Å; A64-I124 VanDerWaalsContact CA-O 3.24Å; A64-I124 WeakPolarHBondContact CA-O 3.2Å; A64-I124 HydrophobicContact CB-CB 4.33Å; A64-I124 WeakPolarHBondContact CB-O 3.34Å; C121-I124 HydrophobicContact CB-CD1 4.21Å; C121-I124 HydrophobicContact CB-CG1 3.74Å; C121-I124 PolarHBondContact O-N 3.08Å; P122-I124 VanDerWaalsContact C-N 3.3Å; P122-I124 PolarHBondContact O-N 3.26Å; I124-N126 HydrophobicContact CD1-CB 4.09Å; I124-N126 HydrophobicContact CG1-CB 4.14Å; I124-N126 PolarHBondContact O-N 2.95Å; I124-N126 VanDerWaalsContact O-N 3.13Å; I124-V128 HydrophobicContact CD1-CG2 3.75Å; I124-F136 HydrophobicContact CD1-CD2 4.09Å; I124-F136 HydrophobicContact CG2-CD2 4.24Å; I124-F139 HydrophobicContact CG2-CD1 4.34Å; I124-F139 HydrophobicContact CG2-CE1 4.34Å |
| 125 | N | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 42.8 | -174.5 | -167.1 | 13.5 | 0 | 0 | 0 | 114 | F3 R4 D6 V13 C121 P122 | F3-N125 HydrophobicContact CE2-CB 4Å; R4-N125 PolarHBondContact O-ND2 3.29Å; D6-N125 PolarHBondContact OD1-ND2 3.09Å; D6-N125 PolarHBondContact OD1-OD1 2.73Å; V13-N125 HydrophobicContact CG2-CB 3.72Å; C121-N125 PolarHBondContact O-N 3.39Å; C121-N125 VanDerWaalsContact O-N 3.07Å; P122-N125 PolarHBondContact O-N 3.25Å |
| 126 | N | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 158.5 | -176.3 | -163.3 | 7.4 | 0 | 0 | 0 | 110.2 | V2 A63 A64 T66 C121 I124 N132 | V2-N126 WeakPolarHBondContact CG1-OD1 3.47Å; A63-N126 PolarHBondContact O-ND2 3.34Å; A64-N126 PolarHBondContact O-ND2 3.15Å; T66-N126 PolarHBondContact O-ND2 2.84Å; C121-N126 PolarHBondContact N-O 2.69Å; C121-N126 PolarHBondContact O-N 2.78Å; I124-N126 HydrophobicContact CD1-CB 4.09Å; I124-N126 HydrophobicContact CG1-CB 4.14Å; I124-N126 PolarHBondContact O-N 2.95Å; I124-N126 VanDerWaalsContact O-N 3.13Å; N126-N132 PolarHBondContact ND2-ND2 2.64Å |
| 127 | C | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.2 | 167.8 | -70.9 | 0 | 0 | 0 | 0 | 109.2 | P68 C107 C110 V114 H119 N132 | P68-C127 HydrophobicContact CB-CB 4.09Å; P68-C127 WeakPolarHBondContact CB-O 3.41Å; P68-C127 HydrophobicContact CG-CB 3.94Å; C107-C127 WeakPolarHBondContact CB-SG 3.39Å; C107-C127 PolarHBondContact SG-SG 3.33Å; C110-C127 WeakPolarHBondContact CB-SG 3.45Å; C110-C127 WeakPolarHBondContact SG-CB 3.33Å; C110-C127 CovalentContact SG-SG 2.1Å; C110-C127 PolarHBondContact SG-SG 3.34Å; V114-C127 HydrophobicContact CG1-CB 4.44Å; V114-C127 HydrophobicContact CG2-CB 3.9Å; H119-C127 CarbonylContact O-C 3.58Å; H119-C127 WeakPolarHBondContact O-CA 3.47Å; C127-N132 PolarHBondContact O-ND2 3.13Å; C127-N132 PolarHBondContact O-OD1 2.73Å |
| 128 | V | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.6 | 166.8 | -179.1 | 0 | 0 | 0 | 0 | 107 | D118 H119 C121 I124 Q133 F136 | D118-V128 HydrophobicContact CB-CB 4.35Å; D118-V128 HydrophobicContact CB-CG1 4.23Å; D118-V128 PolarHBondContact N-O 2.98Å; H119-V128 PolarHBondContact O-N 2.79Å; C121-V128 HydrophobicContact CB-CG2 4.15Å; I124-V128 HydrophobicContact CD1-CG2 3.75Å; V128-Q133 HydrophobicContact CG1-CB 4.21Å; V128-Q133 HydrophobicContact CG1-CG 4.24Å; V128-F136 HydrophobicContact CG1-CB 4.22Å; V128-F136 HydrophobicContact CG1-CD1 3.96Å; V128-F136 HydrophobicContact CG1-CG 4.2Å; V128-F136 HydrophobicContact CG2-CB 4.3Å; V128-F136 HydrophobicContact CG2-CD1 3.95Å; V128-F136 HydrophobicContact CG2-CD2 3.95Å; V128-F136 HydrophobicContact CG2-CE1 4.24Å; V128-F136 HydrophobicContact CG2-CE2 4.24Å; V128-F136 HydrophobicContact CG2-CG 3.79Å; V128-F136 HydrophobicContact CG2-CZ 4.37Å |
| 129 | G | 93.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | trans | -151.4 | -170.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P68 C131 N132 Q133 | P68-G129 CarbonylContact O-C 3.23Å; P68-G129 VanDerWaalsContact O-C 3.23Å; P68-G129 WeakPolarHBondContact O-CA 3.45Å; G129-C131 PolarHBondContact O-N 3Å; G129-N132 PolarHBondContact N-OD1 3.21Å; G129-N132 PolarHBondContact O-N 3.46Å; G129-N132 PolarHBondContact O-OD1 3.35Å; G129-Q133 VanDerWaalsContact O-CB 3.31Å; G129-Q133 WeakPolarHBondContact O-CB 3.13Å; G129-Q133 PolarHBondContact O-N 3.5Å | ||
| 130 | E | 90.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 12.8 Ų | 12.8 | 20% | 0.201 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.7 | -167.2 | -150.6 | -173.2 | 174.6 | 0 | 0 | 115.2 | P68 R115 R116 K275 | P68-E130 PolarHBondContact O-N 3.37Å; P68-E130 VanDerWaalsContact O-N 3.11Å; R115-E130 IonicContact CZ-OE2 3.67Å; R115-E130 IonicContact NH1-OE2 2.77Å; R115-E130 PolarHBondContact NH1-OE2 2.79Å; R115-E130 PolarHBondContact O-N 2.91Å; R116-E130 HydrophobicContact CB-CB 3.94Å; R116-E130 HydrophobicContact CB-CG 4.06Å; E130-K275 HydrophobicContact CG-CD 3.64Å; E130-K275 VanDerWaalsContact CG-NZ 3.28Å; E130-K275 WeakPolarHBondContact OE1-CD 3.43Å; E130-K275 WeakPolarHBondContact OE1-CE 3.32Å; E130-K275 IonicContact OE1-NZ 3.98Å; E130-K275 PolarHBondContact OE1-NZ 2.97Å |
| 131 | C | 91.7 | Very high | 95 | Very high | 8 Ų | 8 | 14 Ų | 14 | 5% | 0.054 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -11.8 | -173 | -70.1 | 0 | 0 | 0 | 0 | 114.4 | D67 P68 G129 | D67-C131 WeakPolarHBondContact O-CB 3.5Å; P68-C131 PolarHBondContact O-N 3.12Å; G129-C131 PolarHBondContact O-N 3Å |
| 132 | N | 93.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -3 | 179.7 | 73.3 | -20.6 | 0 | 0 | 0 | 114.6 | A63 T66 N126 C127 G129 K134 Y135 F136 | A63-N132 PolarHBondContact O-ND2 3.24Å; A63-N132 VanDerWaalsContact O-ND2 3.13Å; T66-N132 HydrophobicContact CG2-CB 3.97Å; N126-N132 PolarHBondContact ND2-ND2 2.64Å; C127-N132 PolarHBondContact O-ND2 3.13Å; C127-N132 PolarHBondContact O-OD1 2.73Å; G129-N132 PolarHBondContact N-OD1 3.21Å; G129-N132 PolarHBondContact O-N 3.46Å; G129-N132 PolarHBondContact O-OD1 3.35Å; N132-K134 PolarHBondContact O-N 2.95Å; N132-Y135 HydrophobicContact CB-CD2 4.31Å; N132-Y135 PolarHBondContact O-N 3.34Å; N132-F136 PolarHBondContact O-N 2.9Å; N132-F136 VanDerWaalsContact O-N 3.14Å |
| 133 | Q | 94.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54.2 | -36.9 | 178.2 | -173.8 | 175.7 | 27.3 | 0 | 0 | 112.8 | V128 G129 Y135 F136 I137 V257 | V128-Q133 HydrophobicContact CG1-CB 4.21Å; V128-Q133 HydrophobicContact CG1-CG 4.24Å; G129-Q133 VanDerWaalsContact O-CB 3.31Å; G129-Q133 WeakPolarHBondContact O-CB 3.13Å; G129-Q133 PolarHBondContact O-N 3.5Å; Q133-Y135 PolarHBondContact O-N 3.05Å; Q133-F136 PolarHBondContact O-N 3.33Å; Q133-I137 HydrophobicContact CG-CD1 3.97Å; Q133-I137 WeakPolarHBondContact O-CG1 3.4Å; Q133-I137 PolarHBondContact O-N 3.38Å; Q133-V257 HydrophobicContact CB-CG1 4.36Å; Q133-V257 HydrophobicContact CG-CG1 4.18Å |
| 134 | K | 94.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 10.7 Ų | 10.7 | 4% | 0.035 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -52.6 | -53.9 | 173.4 | 177.3 | -176.1 | 174.3 | 167.8 | 0 | 112.3 | N132 F136 I137 Q138 V257 F258 S265 S271 | N132-K134 PolarHBondContact O-N 2.95Å; K134-F136 VanDerWaalsContact C-N 3.28Å; K134-F136 PolarHBondContact O-N 3.03Å; K134-I137 PolarHBondContact O-N 3.34Å; K134-Q138 WeakPolarHBondContact O-CG 3.43Å; K134-Q138 PolarHBondContact O-N 2.84Å; K134-V257 HydrophobicContact CB-CG1 4.41Å; K134-V257 WeakPolarHBondContact CB-O 3.5Å; K134-F258 HydrophobicContact CG-CD1 3.86Å; K134-F258 HydrophobicContact CG-CE1 4.33Å; K134-F258 PolarHBondContact NZ-O 3.34Å; K134-S265 PolarHBondContact NZ-O 3.48Å; K134-S271 PolarHBondContact NZ-O 3.43Å; K134-S271 PolarHBondContact NZ-OG 3.36Å |
| 135 | Y | 95.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 4% | 0.039 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | -177 | -58.7 | -58.3 | 0 | 0 | 0 | 111.1 | C62 T66 N132 Q133 Q138 F139 P269 S271 Y272 | C62-Y135 HydrophobicContact CB-CD1 3.53Å; C62-Y135 HydrophobicContact CB-CD2 4.01Å; C62-Y135 HydrophobicContact CB-CE1 3.92Å; C62-Y135 HydrophobicContact CB-CE2 4.36Å; C62-Y135 HydrophobicContact CB-CG 3.57Å; T66-Y135 HydrophobicContact CG2-CD2 4.41Å; T66-Y135 HydrophobicContact CG2-CE2 4.08Å; N132-Y135 HydrophobicContact CB-CD2 4.31Å; N132-Y135 PolarHBondContact O-N 3.34Å; Q133-Y135 PolarHBondContact O-N 3.05Å; Y135-Q138 PolarHBondContact O-N 3.37Å; Y135-F139 WeakPolarHBondContact O-CB 3.35Å; Y135-F139 PolarHBondContact O-N 2.87Å; Y135-P269 HydrophobicContact CD1-CB 4.1Å; Y135-P269 HydrophobicContact CE1-CB 4.24Å; Y135-P269 WeakPolarHBondContact CE1-O 3.38Å; Y135-S271 PolarHBondContact OH-O 3.26Å; Y135-Y272 HydrophobicContact CE2-CD2 4.44Å; Y135-Y272 WeakPolarHBondContact OH-CA 3.06Å; Y135-Y272 PolarHBondContact OH-N 2.88Å |
| 136 | F | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 174.3 | -175.8 | -113.4 | 0 | 0 | 0 | 111.7 | A63 H119 C121 I124 V128 N132 Q133 K134 F139 L140 I197 Q201 | A63-F136 HydrophobicContact CB-CB 4.5Å; H119-F136 AromaticContact CE1-CE1 3.78Å; H119-F136 AromaticContact CE1-CZ 3.99Å; H119-F136 AromaticContact NE2-CZ 3.86Å; C121-F136 HydrophobicContact CB-CE2 4.48Å; I124-F136 HydrophobicContact CD1-CD2 4.09Å; I124-F136 HydrophobicContact CG2-CD2 4.24Å; V128-F136 HydrophobicContact CG1-CB 4.22Å; V128-F136 HydrophobicContact CG1-CD1 3.96Å; V128-F136 HydrophobicContact CG1-CG 4.2Å; V128-F136 HydrophobicContact CG2-CB 4.3Å; V128-F136 HydrophobicContact CG2-CD1 3.95Å; V128-F136 HydrophobicContact CG2-CD2 3.95Å; V128-F136 HydrophobicContact CG2-CE1 4.24Å; V128-F136 HydrophobicContact CG2-CE2 4.24Å; V128-F136 HydrophobicContact CG2-CG 3.79Å; V128-F136 HydrophobicContact CG2-CZ 4.37Å; N132-F136 PolarHBondContact O-N 2.9Å; N132-F136 VanDerWaalsContact O-N 3.14Å; Q133-F136 PolarHBondContact O-N 3.33Å; K134-F136 VanDerWaalsContact C-N 3.28Å; K134-F136 PolarHBondContact O-N 3.03Å; F136-F139 HydrophobicContact CD2-CD1 4.22Å; F136-F139 HydrophobicContact CE2-CD1 4.33Å; F136-F139 WeakPolarHBondContact O-CB 3.29Å; F136-F139 PolarHBondContact O-N 3.34Å; F136-L140 HydrophobicContact CD1-CD1 4.16Å; F136-L140 HydrophobicContact CE1-CD1 3.76Å; F136-L140 HydrophobicContact CE1-CG 4.32Å; F136-L140 HydrophobicContact CE2-CD2 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.16Å; F136-L140 HydrophobicContact CZ-CD2 4.15Å; F136-L140 HydrophobicContact CZ-CG 4.34Å; F136-L140 WeakPolarHBondContact O-CG 3.36Å; F136-L140 PolarHBondContact O-N 3.07Å; F136-I197 HydrophobicContact CE1-CG2 4.07Å; F136-I197 HydrophobicContact CZ-CG2 4.13Å; F136-Q201 HydrophobicContact CD1-CG 4.39Å; F136-Q201 HydrophobicContact CE1-CG 4.13Å |
| 137 | I | 96.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 5% | 0.046 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 177.8 | -63.4 | 163.9 | 0 | 0 | 0 | 111.8 | Q133 K134 F139 L140 I141 L198 Q201 I205 V257 F258 | Q133-I137 HydrophobicContact CG-CD1 3.97Å; Q133-I137 WeakPolarHBondContact O-CG1 3.4Å; Q133-I137 PolarHBondContact O-N 3.38Å; K134-I137 PolarHBondContact O-N 3.34Å; I137-F139 VanDerWaalsContact C-N 3.29Å; I137-F139 PolarHBondContact O-N 3.46Å; I137-L140 PolarHBondContact O-N 3.04Å; I137-I141 HydrophobicContact CG2-CD1 3.84Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 WeakPolarHBondContact O-CG1 3.32Å; I137-I141 PolarHBondContact O-N 3.11Å; I137-L198 HydrophobicContact CG2-CD1 3.98Å; I137-Q201 HydrophobicContact CD1-CB 4.45Å; I137-Q201 HydrophobicContact CG1-CB 4.19Å; I137-Q201 HydrophobicContact CG1-CG 4.45Å; I137-I205 HydrophobicContact CD1-CD1 3.51Å; I137-V257 HydrophobicContact CD1-CG1 4.04Å; I137-F258 HydrophobicContact CB-CZ 4.06Å; I137-F258 HydrophobicContact CD1-CE2 4.36Å; I137-F258 HydrophobicContact CD1-CZ 4.17Å; I137-F258 HydrophobicContact CG2-CE1 4.37Å; I137-F258 HydrophobicContact CG2-CZ 3.68Å |
| 138 | Q | 95.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 172.8 | -73.3 | 173.4 | -30.5 | 0 | 0 | 110.9 | K134 Y135 L140 I141 Y142 F258 W266 L267 L268 | K134-Q138 WeakPolarHBondContact O-CG 3.43Å; K134-Q138 PolarHBondContact O-N 2.84Å; Y135-Q138 PolarHBondContact O-N 3.37Å; Q138-L140 PolarHBondContact O-N 3.18Å; Q138-I141 PolarHBondContact O-N 3.13Å; Q138-Y142 HydrophobicContact CB-CD2 4.35Å; Q138-Y142 HydrophobicContact CB-CE2 4.22Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.11Å; Q138-Y142 PolarHBondContact O-N 3.37Å; Q138-F258 HydrophobicContact CG-CE1 4.48Å; Q138-W266 PolarHBondContact NE2-O 3.05Å; Q138-L267 PolarHBondContact NE2-O 2.91Å; Q138-L268 PolarHBondContact NE2-O 2.84Å; Q138-L268 VanDerWaalsContact NE2-O 3.08Å |
| 139 | F | 97.2 | Very high | 96 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 6% | 0.057 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 175 | 162.8 | -118.7 | 0 | 0 | 0 | 111.6 | T16 L56 S59 H60 I124 Y135 F136 I137 I141 Y142 V143 | T16-F139 HydrophobicContact CG2-CE2 4.12Å; T16-F139 HydrophobicContact CG2-CZ 4.15Å; L56-F139 HydrophobicContact CD2-CD2 3.9Å; L56-F139 HydrophobicContact CD2-CE2 3.77Å; L56-F139 HydrophobicContact CG-CD2 4.26Å; L56-F139 HydrophobicContact CG-CE2 4.4Å; S59-F139 VanDerWaalsContact OG-CA 3.28Å; S59-F139 WeakPolarHBondContact OG-CA 3.21Å; S59-F139 PolarHBondContact OG-N 2.87Å; H60-F139 HydrophobicContact CB-CD2 3.83Å; H60-F139 HydrophobicContact CB-CE2 4.16Å; H60-F139 HydrophobicContact CB-CG 4.37Å; H60-F139 AromaticContact CD2-CE2 3.73Å; H60-F139 AromaticContact CD2-CZ 3.79Å; I124-F139 HydrophobicContact CG2-CD1 4.34Å; I124-F139 HydrophobicContact CG2-CE1 4.34Å; Y135-F139 WeakPolarHBondContact O-CB 3.35Å; Y135-F139 PolarHBondContact O-N 2.87Å; F136-F139 HydrophobicContact CD2-CD1 4.22Å; F136-F139 HydrophobicContact CE2-CD1 4.33Å; F136-F139 WeakPolarHBondContact O-CB 3.29Å; F136-F139 PolarHBondContact O-N 3.34Å; I137-F139 VanDerWaalsContact C-N 3.29Å; I137-F139 PolarHBondContact O-N 3.46Å; F139-I141 PolarHBondContact O-N 3.2Å; F139-Y142 PolarHBondContact O-N 3.49Å; F139-V143 HydrophobicContact CD2-CG2 3.75Å; F139-V143 HydrophobicContact CE2-CG2 3.33Å; F139-V143 HydrophobicContact CZ-CG2 3.86Å; F139-V143 VanDerWaalsContact O-CG2 3.27Å; F139-V143 WeakPolarHBondContact O-CG2 3.36Å; F139-V143 PolarHBondContact O-N 3.22Å |
| 140 | L | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 177 | -63.6 | 178.4 | 0 | 0 | 0 | 112.4 | F136 I137 Q138 V143 G144 I194 I197 L198 Q201 | F136-L140 HydrophobicContact CD1-CD1 4.16Å; F136-L140 HydrophobicContact CE1-CD1 3.76Å; F136-L140 HydrophobicContact CE1-CG 4.32Å; F136-L140 HydrophobicContact CE2-CD2 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.16Å; F136-L140 HydrophobicContact CZ-CD2 4.15Å; F136-L140 HydrophobicContact CZ-CG 4.34Å; F136-L140 WeakPolarHBondContact O-CG 3.36Å; F136-L140 PolarHBondContact O-N 3.07Å; I137-L140 PolarHBondContact O-N 3.04Å; Q138-L140 PolarHBondContact O-N 3.18Å; L140-V143 PolarHBondContact O-N 3.42Å; L140-G144 PolarHBondContact O-N 3.14Å; L140-I194 HydrophobicContact CB-CG2 4.14Å; L140-I194 HydrophobicContact CD2-CD1 3.4Å; L140-I194 HydrophobicContact CD2-CG2 4.35Å; L140-I194 VanDerWaalsContact O-CG2 3.23Å; L140-I194 WeakPolarHBondContact O-CG2 3.37Å; L140-I197 HydrophobicContact CD1-CB 4.41Å; L140-I197 HydrophobicContact CD1-CG2 3.64Å; L140-I197 HydrophobicContact CD2-CG2 4.25Å; L140-L198 HydrophobicContact CB-CD1 4.15Å; L140-L198 HydrophobicContact CD1-CB 4.45Å; L140-L198 HydrophobicContact CD1-CD1 4.3Å; L140-Q201 HydrophobicContact CD1-CG 4.12Å |
| 141 | I | 96.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 22.1 Ų | 22.1 | 29% | 0.292 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 178.5 | -70.3 | 168.5 | 0 | 0 | 0 | 110.6 | I137 Q138 F139 G144 I145 L198 | I137-I141 HydrophobicContact CG2-CD1 3.84Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 WeakPolarHBondContact O-CG1 3.32Å; I137-I141 PolarHBondContact O-N 3.11Å; Q138-I141 PolarHBondContact O-N 3.13Å; F139-I141 PolarHBondContact O-N 3.2Å; I141-G144 PolarHBondContact O-N 2.88Å; I141-I145 HydrophobicContact CG2-CD1 3.81Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CG1 3.44Å; I141-I145 PolarHBondContact O-N 3.27Å; I141-L198 HydrophobicContact CG1-CD1 4.18Å; I141-L198 HydrophobicContact CG1-CD2 4.26Å |
| 142 | Y | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.7 | -34.6 | -179.2 | -71.9 | -56.4 | 0 | 0 | 0 | 113 | V52 L55 Q138 F139 I145 L146 L267 | V52-Y142 HydrophobicContact CG1-CD1 4.48Å; L55-Y142 HydrophobicContact CB-CD1 3.97Å; L55-Y142 HydrophobicContact CB-CD2 4.04Å; L55-Y142 HydrophobicContact CB-CE1 3.77Å; L55-Y142 HydrophobicContact CB-CE2 3.85Å; L55-Y142 HydrophobicContact CB-CG 4.12Å; L55-Y142 HydrophobicContact CD1-CE1 3.74Å; L55-Y142 HydrophobicContact CG-CE1 4.35Å; Q138-Y142 HydrophobicContact CB-CD2 4.35Å; Q138-Y142 HydrophobicContact CB-CE2 4.22Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.11Å; Q138-Y142 PolarHBondContact O-N 3.37Å; F139-Y142 PolarHBondContact O-N 3.49Å; Y142-I145 HydrophobicContact CD1-CD1 4.28Å; Y142-I145 PolarHBondContact O-N 2.99Å; Y142-L146 WeakPolarHBondContact O-CB 3.26Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L267 WeakPolarHBondContact CE2-O 3.49Å; Y142-L267 PolarHBondContact OH-O 2.95Å |
| 143 | V | 97.9 | Very high | 97 | Very high | 18 Ų | 18 | 25.9 Ų | 25.9 | 11% | 0.109 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L56 F139 L140 I145 L146 C147 I194 | L56-V143 HydrophobicContact CD1-CB 4.3Å; L56-V143 HydrophobicContact CD1-CG2 3.74Å; L56-V143 HydrophobicContact CD2-CG2 4.24Å; L56-V143 HydrophobicContact CG-CG2 3.88Å; F139-V143 HydrophobicContact CD2-CG2 3.75Å; F139-V143 HydrophobicContact CE2-CG2 3.33Å; F139-V143 HydrophobicContact CZ-CG2 3.86Å; F139-V143 VanDerWaalsContact O-CG2 3.27Å; F139-V143 WeakPolarHBondContact O-CG2 3.36Å; F139-V143 PolarHBondContact O-N 3.22Å; L140-V143 PolarHBondContact O-N 3.42Å; V143-I145 PolarHBondContact O-N 2.82Å; V143-L146 PolarHBondContact O-N 3.2Å; V143-C147 PolarHBondContact O-N 3.06Å; V143-C147 PolarHBondContact O-SG 3.27Å; V143-I194 HydrophobicContact CB-CD1 4.3Å; V143-I194 HydrophobicContact CB-CG1 4.29Å; V143-I194 HydrophobicContact CG1-CD1 4.07Å; V143-I194 HydrophobicContact CG1-CG1 3.71Å |
| 144 | G | 97.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 26 Ų | 26 | 25% | 0.247 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L140 I141 C147 V148 | L140-G144 PolarHBondContact O-N 3.14Å; I141-G144 PolarHBondContact O-N 2.88Å; G144-C147 PolarHBondContact O-N 3.27Å; G144-V148 WeakPolarHBondContact O-CG2 3.26Å; G144-V148 PolarHBondContact O-N 3.49Å |
| 145 | I | 97.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 176.1 | -66.7 | 168.9 | 0 | 0 | 0 | 110.5 | V52 I141 Y142 V143 C147 V148 Y149 | V52-I145 HydrophobicContact CG1-CB 4.2Å; V52-I145 HydrophobicContact CG1-CG2 3.8Å; V52-I145 HydrophobicContact CG2-CG2 4.09Å; I141-I145 HydrophobicContact CG2-CD1 3.81Å; I141-I145 HydrophobicContact CG2-CG1 4.4Å; I141-I145 WeakPolarHBondContact O-CG1 3.44Å; I141-I145 PolarHBondContact O-N 3.27Å; Y142-I145 HydrophobicContact CD1-CD1 4.28Å; Y142-I145 PolarHBondContact O-N 2.99Å; V143-I145 PolarHBondContact O-N 2.82Å; I145-C147 PolarHBondContact O-N 3.32Å; I145-V148 PolarHBondContact O-N 3.47Å; I145-Y149 VanDerWaalsContact O-CB 3.26Å; I145-Y149 WeakPolarHBondContact O-CB 3.38Å; I145-Y149 PolarHBondContact O-N 3.15Å |
| 146 | L | 98 | Very high | 97 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | -179.2 | -162.7 | 72.9 | 0 | 0 | 0 | 111.8 | V20 F49 V52 A53 L56 Y142 V143 Y149 A150 | V20-L146 HydrophobicContact CG1-CD2 4.47Å; F49-L146 HydrophobicContact CD1-CD1 4.14Å; F49-L146 HydrophobicContact CD2-CD1 3.85Å; F49-L146 HydrophobicContact CE1-CD1 3.75Å; F49-L146 HydrophobicContact CE1-CG 4.42Å; F49-L146 HydrophobicContact CE2-CD1 3.44Å; F49-L146 VanDerWaalsContact CE2-CD1 3.44Å; F49-L146 HydrophobicContact CE2-CG 3.95Å; F49-L146 HydrophobicContact CG-CD1 4.18Å; F49-L146 HydrophobicContact CZ-CD1 3.39Å; F49-L146 HydrophobicContact CZ-CD2 4.32Å; F49-L146 HydrophobicContact CZ-CG 3.74Å; V52-L146 HydrophobicContact CB-CD1 4.11Å; V52-L146 HydrophobicContact CG1-CB 4.06Å; V52-L146 HydrophobicContact CG1-CD1 3.84Å; A53-L146 HydrophobicContact CB-CD1 4.26Å; L56-L146 HydrophobicContact CD1-CB 4.27Å; L56-L146 HydrophobicContact CD1-CD2 3.69Å; Y142-L146 WeakPolarHBondContact O-CB 3.26Å; Y142-L146 PolarHBondContact O-N 3.38Å; V143-L146 PolarHBondContact O-N 3.2Å; L146-Y149 PolarHBondContact O-N 3.06Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.8Å |
| 147 | C | 98.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.9 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | V143 G144 I145 Y149 A150 L151 | V143-C147 PolarHBondContact O-N 3.06Å; V143-C147 PolarHBondContact O-SG 3.27Å; G144-C147 PolarHBondContact O-N 3.27Å; I145-C147 PolarHBondContact O-N 3.32Å; C147-Y149 VanDerWaalsContact C-N 3.33Å; C147-Y149 PolarHBondContact O-N 3.44Å; C147-A150 PolarHBondContact O-N 2.94Å; C147-L151 VanDerWaalsContact O-CG 3.29Å; C147-L151 WeakPolarHBondContact O-CG 3.25Å; C147-L151 PolarHBondContact O-N 2.85Å |
| 148 | V | 97.9 | Very high | 96.5 | Very high | 84 Ų | 84 | 38.9 Ų | 38.9 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | G144 I145 L151 I152 | G144-V148 WeakPolarHBondContact O-CG2 3.26Å; G144-V148 PolarHBondContact O-N 3.49Å; I145-V148 PolarHBondContact O-N 3.47Å; V148-L151 PolarHBondContact O-N 3.14Å; V148-I152 HydrophobicContact CG1-CD1 3.71Å; V148-I152 HydrophobicContact CG1-CG1 4.36Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.43Å; V148-I152 PolarHBondContact O-N 3.13Å |
| 149 | Y | 98.1 | Very high | 96.2 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 178.1 | -161.2 | -8.9 | 0 | 0 | 0 | 111.2 | N45 C48 F49 I145 L146 C147 L151 I152 L153 | N45-Y149 WeakPolarHBondContact OD1-CE1 3.33Å; N45-Y149 PolarHBondContact OD1-OH 3.5Å; C48-Y149 HydrophobicContact CB-CE2 3.91Å; C48-Y149 WeakPolarHBondContact CB-OH 3.28Å; F49-Y149 HydrophobicContact CB-CE2 4.36Å; F49-Y149 HydrophobicContact CD2-CD2 4.07Å; F49-Y149 HydrophobicContact CD2-CG 4.13Å; I145-Y149 VanDerWaalsContact O-CB 3.26Å; I145-Y149 WeakPolarHBondContact O-CB 3.38Å; I145-Y149 PolarHBondContact O-N 3.15Å; L146-Y149 PolarHBondContact O-N 3.06Å; C147-Y149 VanDerWaalsContact C-N 3.33Å; C147-Y149 PolarHBondContact O-N 3.44Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; Y149-L151 PolarHBondContact O-N 3.04Å; Y149-I152 PolarHBondContact O-N 3.2Å; Y149-L153 HydrophobicContact CD1-CD1 3.83Å; Y149-L153 HydrophobicContact CD1-CG 3.83Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE1-CD2 4.16Å; Y149-L153 HydrophobicContact CE1-CG 3.75Å; Y149-L153 PolarHBondContact O-N 3.27Å |
| 150 | A | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V27 F49 L146 C147 L153 V154 L183 | V27-A150 HydrophobicContact CG2-CB 4.44Å; F49-A150 HydrophobicContact CE2-CB 4.21Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.8Å; C147-A150 PolarHBondContact O-N 2.94Å; A150-L153 PolarHBondContact O-N 3.43Å; A150-V154 WeakPolarHBondContact O-CG2 3.24Å; A150-V154 PolarHBondContact O-N 3.32Å; A150-L183 HydrophobicContact CB-CD1 4.36Å; A150-L183 HydrophobicContact CB-CD2 4.34Å; A150-L183 HydrophobicContact CB-CG 4.43Å |
| 151 | L | 98.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.9 | -69.7 | 170.1 | 0 | 0 | 0 | 112.3 | C147 V148 Y149 L153 V154 L155 V184 | C147-L151 VanDerWaalsContact O-CG 3.29Å; C147-L151 WeakPolarHBondContact O-CG 3.25Å; C147-L151 PolarHBondContact O-N 2.85Å; V148-L151 PolarHBondContact O-N 3.14Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; Y149-L151 PolarHBondContact O-N 3.04Å; L151-L153 PolarHBondContact O-N 2.82Å; L151-V154 PolarHBondContact O-N 2.93Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.41Å; L151-V184 HydrophobicContact CD2-CB 4.39Å; L151-V184 HydrophobicContact CD2-CG1 4.1Å; L151-V184 HydrophobicContact CD2-CG2 4.23Å |
| 152 | I | 97.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.4 | -71.2 | 169.1 | 0 | 0 | 0 | 110.8 | V148 Y149 V154 L155 I156 | V148-I152 HydrophobicContact CG1-CD1 3.71Å; V148-I152 HydrophobicContact CG1-CG1 4.36Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.43Å; V148-I152 PolarHBondContact O-N 3.13Å; Y149-I152 PolarHBondContact O-N 3.2Å; I152-V154 PolarHBondContact O-N 3.41Å; I152-L155 PolarHBondContact O-N 2.85Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.32Å; I152-I156 WeakPolarHBondContact O-CB 3.36Å; I152-I156 WeakPolarHBondContact O-CG1 3.27Å; I152-I156 PolarHBondContact O-N 3.36Å |
| 153 | L | 96.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.8 | -78.4 | 175.8 | 0 | 0 | 0 | 112.1 | V27 V32 N45 F49 Y149 A150 L151 I156 C157 | V27-L153 HydrophobicContact CG1-CD1 3.69Å; V32-L153 HydrophobicContact CG2-CD1 4.39Å; N45-L153 HydrophobicContact CB-CD2 4.26Å; F49-L153 HydrophobicContact CD2-CD1 4.39Å; Y149-L153 HydrophobicContact CD1-CD1 3.83Å; Y149-L153 HydrophobicContact CD1-CG 3.83Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE1-CD2 4.16Å; Y149-L153 HydrophobicContact CE1-CG 3.75Å; Y149-L153 PolarHBondContact O-N 3.27Å; A150-L153 PolarHBondContact O-N 3.43Å; L151-L153 PolarHBondContact O-N 2.82Å; L153-I156 PolarHBondContact O-N 3.16Å; L153-C157 VanDerWaalsContact O-CB 3.25Å; L153-C157 WeakPolarHBondContact O-CB 3.4Å; L153-C157 PolarHBondContact O-N 2.78Å; L153-C157 PolarHBondContact O-SG 3.16Å |
| 154 | V | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.9 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | L31 A150 L151 I152 I156 C157 R158 T180 L183 V184 | L31-V154 HydrophobicContact CD1-CG2 3.52Å; L31-V154 HydrophobicContact CD2-CG2 4.36Å; A150-V154 WeakPolarHBondContact O-CG2 3.24Å; A150-V154 PolarHBondContact O-N 3.32Å; L151-V154 PolarHBondContact O-N 2.93Å; I152-V154 PolarHBondContact O-N 3.41Å; V154-I156 PolarHBondContact O-N 3.44Å; V154-C157 PolarHBondContact O-N 3.39Å; V154-R158 HydrophobicContact CG1-CG 4.17Å; V154-R158 WeakPolarHBondContact O-CB 3.05Å; V154-R158 VanDerWaalsContact O-CG 3.26Å; V154-R158 WeakPolarHBondContact O-CG 3.28Å; V154-R158 PolarHBondContact O-N 3.16Å; V154-T180 HydrophobicContact CG1-CG2 3.65Å; V154-T180 HydrophobicContact CG2-CG2 4.17Å; V154-L183 HydrophobicContact CG2-CD2 4.06Å; V154-V184 HydrophobicContact CB-CG2 4.41Å; V154-V184 HydrophobicContact CG1-CG2 3.86Å; V154-V184 HydrophobicContact CG2-CG2 4.21Å |
| 155 | L | 95.5 | Very high | 92.7 | Very high | 121 Ų | 121 | 55.1 Ų | 55.1 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59 | -47.6 | -179.3 | -70.9 | 172.5 | 0 | 0 | 0 | 112 | L151 I152 A159 | L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.41Å; I152-L155 PolarHBondContact O-N 2.85Å; L155-A159 VanDerWaalsContact O-CB 3.22Å; L155-A159 WeakPolarHBondContact O-CB 3.28Å; L155-A159 PolarHBondContact O-N 3.33Å |
| 156 | I | 93 | Very high | 91.6 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 179 | -70.3 | 170.1 | 0 | 0 | 0 | 110.6 | I152 L153 V154 R158 A159 M160 | I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.32Å; I152-I156 WeakPolarHBondContact O-CB 3.36Å; I152-I156 WeakPolarHBondContact O-CG1 3.27Å; I152-I156 PolarHBondContact O-N 3.36Å; L153-I156 PolarHBondContact O-N 3.16Å; V154-I156 PolarHBondContact O-N 3.44Å; I156-R158 PolarHBondContact O-N 2.9Å; I156-A159 PolarHBondContact O-N 2.9Å; I156-M160 HydrophobicContact CG2-CE 3.52Å; I156-M160 HydrophobicContact CG2-SD 4.29Å; I156-M160 WeakPolarHBondContact O-CE 3.29Å; I156-M160 WeakPolarHBondContact O-CG 3.09Å; I156-M160 PolarHBondContact O-N 3.24Å |
| 157 | C | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | -179 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | L31 V35 L153 V154 M160 I161 | L31-C157 HydrophobicContact CD2-CB 4.41Å; V35-C157 HydrophobicContact CB-CB 4.35Å; V35-C157 HydrophobicContact CG1-CB 4.26Å; V35-C157 HydrophobicContact CG2-CB 4.1Å; L153-C157 VanDerWaalsContact O-CB 3.25Å; L153-C157 WeakPolarHBondContact O-CB 3.4Å; L153-C157 PolarHBondContact O-N 2.78Å; L153-C157 PolarHBondContact O-SG 3.16Å; V154-C157 PolarHBondContact O-N 3.39Å; C157-M160 PolarHBondContact O-N 3.09Å; C157-I161 WeakPolarHBondContact O-CG1 3.23Å; C157-I161 PolarHBondContact O-N 2.94Å; C157-I161 VanDerWaalsContact O-N 3.17Å |
| 158 | R | 90.3 | Very high | 88.3 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 177.4 | -65.9 | -51.6 | -57.1 | -179.2 | 2 | 112.2 | V154 I156 I161 S162 | V154-R158 HydrophobicContact CG1-CG 4.17Å; V154-R158 WeakPolarHBondContact O-CB 3.05Å; V154-R158 VanDerWaalsContact O-CG 3.26Å; V154-R158 WeakPolarHBondContact O-CG 3.28Å; V154-R158 PolarHBondContact O-N 3.16Å; I156-R158 PolarHBondContact O-N 2.9Å; R158-I161 PolarHBondContact O-N 3Å; R158-S162 WeakPolarHBondContact O-CB 3.35Å; R158-S162 PolarHBondContact O-N 3.34Å; R158-S162 PolarHBondContact O-OG 3.31Å |
| 159 | A | 90.5 | Very high | 86.5 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L155 I156 I161 S162 A163 | L155-A159 VanDerWaalsContact O-CB 3.22Å; L155-A159 WeakPolarHBondContact O-CB 3.28Å; L155-A159 PolarHBondContact O-N 3.33Å; I156-A159 PolarHBondContact O-N 2.9Å; A159-I161 PolarHBondContact O-N 3.29Å; A159-S162 WeakPolarHBondContact CA-OG 3.19Å; A159-S162 PolarHBondContact O-N 3.28Å; A159-S162 PolarHBondContact O-OG 3.4Å; A159-A163 WeakPolarHBondContact O-CB 3.48Å; A159-A163 PolarHBondContact O-N 3.45Å |
| 160 | M | 88.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 70 Ų | 70 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.3 | -73.3 | -177.3 | -67.1 | 0 | 0 | 113 | V35 L36 I156 C157 A163 L165 | V35-M160 HydrophobicContact CG1-CB 4.37Å; V35-M160 HydrophobicContact CG1-CE 3.7Å; L36-M160 HydrophobicContact CD2-CE 3.55Å; L36-M160 HydrophobicContact CD2-SD 3.95Å; L36-M160 HydrophobicContact CG-CE 4.29Å; I156-M160 HydrophobicContact CG2-CE 3.52Å; I156-M160 HydrophobicContact CG2-SD 4.29Å; I156-M160 WeakPolarHBondContact O-CE 3.29Å; I156-M160 WeakPolarHBondContact O-CG 3.09Å; I156-M160 PolarHBondContact O-N 3.24Å; C157-M160 PolarHBondContact O-N 3.09Å; M160-A163 PolarHBondContact O-N 3.23Å; M160-L165 PolarHBondContact O-N 2.97Å; M160-L165 VanDerWaalsContact O-N 3.13Å |
| 161 | I | 86.2 | Confident | 82.2 | Confident | 26 Ų | 26 | 77 Ų | 77 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 175 | -65.5 | 165.2 | 0 | 0 | 0 | 109.7 | V35 C157 R158 A159 A163 G164 K166 D168 | V35-I161 HydrophobicContact CG1-CG1 4.38Å; V35-I161 HydrophobicContact CG2-CD1 3.91Å; V35-I161 HydrophobicContact CG2-CG1 4.4Å; C157-I161 WeakPolarHBondContact O-CG1 3.23Å; C157-I161 PolarHBondContact O-N 2.94Å; C157-I161 VanDerWaalsContact O-N 3.17Å; R158-I161 PolarHBondContact O-N 3Å; A159-I161 PolarHBondContact O-N 3.29Å; I161-A163 PolarHBondContact O-N 2.94Å; I161-G164 PolarHBondContact O-N 3.44Å; I161-K166 HydrophobicContact CG1-CB 4.49Å; I161-D168 WeakPolarHBondContact CG2-OD1 3.24Å |
| 162 | S | 86.5 | Confident | 80.5 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 72% | 0.72 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63 | -25.7 | -179.9 | 68 | 0 | 0 | 0 | 0 | 114.2 | R158 A159 G164 | R158-S162 WeakPolarHBondContact O-CB 3.35Å; R158-S162 PolarHBondContact O-N 3.34Å; R158-S162 PolarHBondContact O-OG 3.31Å; A159-S162 WeakPolarHBondContact CA-OG 3.19Å; A159-S162 PolarHBondContact O-N 3.28Å; A159-S162 PolarHBondContact O-OG 3.4Å; S162-G164 PolarHBondContact O-N 2.88Å |
| 163 | A | 88 | Confident | 79.4 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A159 M160 I161 L165 | A159-A163 WeakPolarHBondContact O-CB 3.48Å; A159-A163 PolarHBondContact O-N 3.45Å; M160-A163 PolarHBondContact O-N 3.23Å; I161-A163 PolarHBondContact O-N 2.94Å; A163-L165 HydrophobicContact CB-CD1 4.23Å; A163-L165 HydrophobicContact CB-CG 4Å; A163-L165 PolarHBondContact O-N 3.2Å |
| 164 | G | 80.2 | Confident | 79 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 16.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | I161 S162 K166 | I161-G164 PolarHBondContact O-N 3.44Å; S162-G164 PolarHBondContact O-N 2.88Å; G164-K166 PolarHBondContact O-N 2.92Å |
| 165 | L | 80.8 | Confident | 78.7 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -78.2 | -11.5 | 179.4 | -60.9 | 177.6 | 0 | 0 | 0 | 112.5 | M160 A163 | M160-L165 PolarHBondContact O-N 2.97Å; M160-L165 VanDerWaalsContact O-N 3.13Å; A163-L165 HydrophobicContact CB-CD1 4.23Å; A163-L165 HydrophobicContact CB-CG 4Å; A163-L165 PolarHBondContact O-N 3.2Å |
| 166 | K | 75.2 | Confident | 78.4 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -144.3 | 144.6 | -177.3 | -64.8 | -67.5 | 174.7 | 165 | 0 | 109.2 | V35 I161 G164 | V35-K166 HydrophobicContact CG1-CG 4Å; V35-K166 VanDerWaalsContact O-CD 3.26Å; V35-K166 WeakPolarHBondContact O-CD 3.27Å; V35-K166 WeakPolarHBondContact O-CE 3.31Å; V35-K166 PolarHBondContact O-NZ 3.15Å; V35-K166 VanDerWaalsContact O-NZ 3.13Å; I161-K166 HydrophobicContact CG1-CB 4.49Å; G164-K166 PolarHBondContact O-N 2.92Å |
| 167 | E | 66.6 | Low | 78.2 | Confident | 181 Ų | 181 | 77.4 Ų | 77.4 | 85% | 0.846 | 46% | 0.459 | S | S | * | . | trans | -67.2 | 142.3 | -179.1 | -67.8 | 178.8 | 168.3 | 0 | 0 | 112.2 | ||||
| 168 | D | 60.1 | Low | 78.3 | Confident | 121 Ų | 121 | 79.6 Ų | 79.6 | 65% | 0.647 | 48% | 0.477 | S | S | * | . | trans | -69.1 | 130.4 | 170.8 | -69.1 | -39.7 | 0 | 0 | 0 | 110 | I161 S170 | I161-D168 WeakPolarHBondContact CG2-OD1 3.24Å; D168-S170 PolarHBondContact O-N 2.86Å; D168-S170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | V | 58.7 | Low | 78.6 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | trans | -93.3 | 76.2 | -170.2 | -163.2 | 0 | 0 | 0 | 0 | 110.1 | N171 A172 D173 | V169-N171 VanDerWaalsContact C-N 3.33Å; V169-N171 PolarHBondContact O-N 3.47Å; V169-A172 HydrophobicContact CB-CB 3.9Å; V169-A172 HydrophobicContact CG1-CB 3.31Å; V169-A172 CarbonylContact O-C 3.55Å; V169-A172 WeakPolarHBondContact O-CA 3.45Å; V169-A172 PolarHBondContact O-N 2.82Å; V169-D173 VanDerWaalsContact C-OD1 3.27Å; V169-D173 VanDerWaalsContact C-OD2 3.24Å; V169-D173 WeakPolarHBondContact CA-OD1 3.4Å; V169-D173 PolarHBondContact N-OD1 3.11Å; V169-D173 VanDerWaalsContact N-OD1 3.09Å; V169-D173 PolarHBondContact O-N 3.45Å | ||
| 170 | S | 56.7 | Low | 78.7 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32.6 | -38 | -163.9 | 127.7 | 0 | 0 | 0 | 0 | 120.5 | D168 D173 | D168-S170 PolarHBondContact O-N 2.86Å; D168-S170 VanDerWaalsContact O-N 3.13Å; S170-D173 WeakPolarHBondContact CA-OD2 3.35Å; S170-D173 PolarHBondContact N-OD2 3.31Å |
| 171 | N | 49.9 | Very low | 79.1 | Confident | 149 Ų | 149 | 78 Ų | 78 | 80% | 0.797 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -19.5 | 176.5 | -78 | -43.9 | 0 | 0 | 0 | 112.9 | V169 D173 | V169-N171 VanDerWaalsContact C-N 3.33Å; V169-N171 PolarHBondContact O-N 3.47Å; N171-D173 PolarHBondContact O-N 3.48Å |
| 172 | A | 62.1 | Low | 79.6 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -16.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | V169 V174 V175 V176 | V169-A172 HydrophobicContact CB-CB 3.9Å; V169-A172 HydrophobicContact CG1-CB 3.31Å; V169-A172 CarbonylContact O-C 3.55Å; V169-A172 WeakPolarHBondContact O-CA 3.45Å; V169-A172 PolarHBondContact O-N 2.82Å; A172-V174 PolarHBondContact O-N 3.04Å; A172-V175 PolarHBondContact O-N 2.97Å; A172-V176 HydrophobicContact CB-CG2 4.02Å; A172-V176 VanDerWaalsContact O-CB 3.25Å; A172-V176 WeakPolarHBondContact O-CB 3.39Å; A172-V176 WeakPolarHBondContact O-CG2 3.15Å; A172-V176 PolarHBondContact O-N 3.18Å |
| 173 | D | 76.4 | Confident | 80.1 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 28% | 0.283 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.1 | -47.5 | -173.4 | -69.7 | -30.3 | 0 | 0 | 0 | 113.3 | V169 S170 N171 V175 V177 | V169-D173 VanDerWaalsContact C-OD1 3.27Å; V169-D173 VanDerWaalsContact C-OD2 3.24Å; V169-D173 WeakPolarHBondContact CA-OD1 3.4Å; V169-D173 PolarHBondContact N-OD1 3.11Å; V169-D173 VanDerWaalsContact N-OD1 3.09Å; V169-D173 PolarHBondContact O-N 3.45Å; S170-D173 WeakPolarHBondContact CA-OD2 3.35Å; S170-D173 PolarHBondContact N-OD2 3.31Å; N171-D173 PolarHBondContact O-N 3.48Å; D173-V175 PolarHBondContact O-N 3.37Å; D173-V177 WeakPolarHBondContact O-CB 3.39Å; D173-V177 WeakPolarHBondContact O-CG2 3.4Å; D173-V177 PolarHBondContact O-N 3.12Å |
| 174 | V | 86.5 | Confident | 80.6 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 72% | 0.721 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | A172 V177 A178 | A172-V174 PolarHBondContact O-N 3.04Å; V174-V177 PolarHBondContact O-N 3.42Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.98Å |
| 175 | V | 89.5 | Confident | 81.5 | Confident | 70 Ų | 70 | 74 Ų | 74 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.4 | -43.1 | -178.9 | 179 | 0 | 0 | 0 | 0 | 111 | Y30 A172 D173 V177 A178 H179 | Y30-V175 HydrophobicContact CE1-CG1 3.74Å; A172-V175 PolarHBondContact O-N 2.97Å; D173-V175 PolarHBondContact O-N 3.37Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-A178 PolarHBondContact O-N 3.4Å; V175-H179 PolarHBondContact O-CD2 2.89Å; V175-H179 VanDerWaalsContact O-CD2 3.31Å; V175-H179 PolarHBondContact O-N 2.67Å |
| 176 | V | 88.8 | Confident | 82.2 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | Y30 A172 T180 | Y30-V176 HydrophobicContact CD1-CB 4.46Å; Y30-V176 HydrophobicContact CD1-CG2 3.81Å; A172-V176 HydrophobicContact CB-CG2 4.02Å; A172-V176 VanDerWaalsContact O-CB 3.25Å; A172-V176 WeakPolarHBondContact O-CB 3.39Å; A172-V176 WeakPolarHBondContact O-CG2 3.15Å; A172-V176 PolarHBondContact O-N 3.18Å; V176-T180 VanDerWaalsContact O-CB 3.26Å; V176-T180 WeakPolarHBondContact O-CB 3.29Å; V176-T180 PolarHBondContact O-N 2.99Å; V176-T180 PolarHBondContact O-OG1 3.11Å |
| 177 | V | 89.8 | Confident | 83.3 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 35% | 0.345 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.9 | 169 | 0 | 0 | 0 | 0 | 110.6 | D173 V174 V175 T180 I181 | D173-V177 WeakPolarHBondContact O-CB 3.39Å; D173-V177 WeakPolarHBondContact O-CG2 3.4Å; D173-V177 PolarHBondContact O-N 3.12Å; V174-V177 PolarHBondContact O-N 3.42Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V177-T180 PolarHBondContact O-N 3.35Å; V177-I181 HydrophobicContact CG1-CD1 3.68Å; V177-I181 HydrophobicContact CG1-CG1 4.33Å; V177-I181 VanDerWaalsContact O-CG1 3.27Å; V177-I181 WeakPolarHBondContact O-CG1 3.28Å; V177-I181 PolarHBondContact O-N 3.16Å |
| 178 | A | 93.5 | Very high | 84.8 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V174 V175 T180 I181 I182 | V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.98Å; V175-A178 PolarHBondContact O-N 3.4Å; A178-T180 VanDerWaalsContact C-N 3.31Å; A178-T180 PolarHBondContact O-N 2.8Å; A178-I181 PolarHBondContact O-N 3.41Å; A178-I182 VanDerWaalsContact O-CG1 3.29Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.42Å |
| 179 | H | 95.2 | Very high | 86.5 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.7 | -78.7 | -63.5 | 0 | 0 | 0 | 112.5 | Y22 V26 Y30 V175 I182 L183 | Y22-H179 AromaticContact CE2-ND1 3.8Å; Y22-H179 AromaticContact CZ-ND1 3.73Å; Y22-H179 PolarHBondContact OH-ND1 3.4Å; V26-H179 HydrophobicContact CG1-CB 3.92Å; V26-H179 HydrophobicContact CG2-CB 4.11Å; Y30-H179 AromaticContact CD1-CD2 3.99Å; Y30-H179 AromaticContact CE1-CD2 3.67Å; Y30-H179 AromaticContact CE2-CD2 3.92Å; Y30-H179 HydrophobicContact CG-CB 4.41Å; Y30-H179 AromaticContact CZ-CD2 3.61Å; Y30-H179 AromaticContact CZ-NE2 3.81Å; V175-H179 PolarHBondContact O-CD2 2.89Å; V175-H179 VanDerWaalsContact O-CD2 3.31Å; V175-H179 PolarHBondContact O-N 2.67Å; H179-I182 PolarHBondContact O-N 3.01Å; H179-L183 WeakPolarHBondContact O-CB 3.36Å; H179-L183 PolarHBondContact O-N 2.97Å |
| 180 | T | 93.8 | Very high | 88 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.08 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | V154 V176 V177 A178 I182 L183 V184 | V154-T180 HydrophobicContact CG1-CG2 3.65Å; V154-T180 HydrophobicContact CG2-CG2 4.17Å; V176-T180 VanDerWaalsContact O-CB 3.26Å; V176-T180 WeakPolarHBondContact O-CB 3.29Å; V176-T180 PolarHBondContact O-N 2.99Å; V176-T180 PolarHBondContact O-OG1 3.11Å; V177-T180 PolarHBondContact O-N 3.35Å; A178-T180 VanDerWaalsContact C-N 3.31Å; A178-T180 PolarHBondContact O-N 2.8Å; T180-I182 VanDerWaalsContact C-N 3.34Å; T180-I182 PolarHBondContact O-N 2.9Å; T180-L183 PolarHBondContact O-N 3.25Å; T180-V184 HydrophobicContact CG2-CG2 4.48Å; T180-V184 VanDerWaalsContact O-CG2 3.3Å; T180-V184 WeakPolarHBondContact O-CG2 3.25Å; T180-V184 PolarHBondContact O-N 3.43Å |
| 181 | I | 95.8 | Very high | 89.7 | Confident | 106 Ų | 106 | 56.4 Ų | 56.4 | 54% | 0.544 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 176.9 | -70.1 | 166.6 | 0 | 0 | 0 | 110.4 | V177 A178 V184 A185 | V177-I181 HydrophobicContact CG1-CD1 3.68Å; V177-I181 HydrophobicContact CG1-CG1 4.33Å; V177-I181 VanDerWaalsContact O-CG1 3.27Å; V177-I181 WeakPolarHBondContact O-CG1 3.28Å; V177-I181 PolarHBondContact O-N 3.16Å; A178-I181 PolarHBondContact O-N 3.41Å; I181-V184 PolarHBondContact O-N 3.38Å; I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 3.48Å |
| 182 | I | 97.7 | Very high | 91.9 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 178.5 | -66.2 | 165.7 | 0 | 0 | 0 | 110.5 | Y22 A178 H179 T180 V184 A185 I186 | Y22-I182 HydrophobicContact CE1-CG2 3.81Å; Y22-I182 WeakPolarHBondContact OH-CG2 3.31Å; A178-I182 VanDerWaalsContact O-CG1 3.29Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.42Å; H179-I182 PolarHBondContact O-N 3.01Å; T180-I182 VanDerWaalsContact C-N 3.34Å; T180-I182 PolarHBondContact O-N 2.9Å; I182-V184 PolarHBondContact O-N 3.31Å; I182-A185 PolarHBondContact O-N 3.42Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.32Å; I182-I186 WeakPolarHBondContact O-CB 3.49Å; I182-I186 VanDerWaalsContact O-CG1 3.28Å; I182-I186 WeakPolarHBondContact O-CG1 3.27Å; I182-I186 PolarHBondContact O-N 3.18Å |
| 183 | L | 97.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.8 | -179.9 | 66.8 | 0 | 0 | 0 | 111.9 | V26 V27 L31 A150 V154 H179 T180 S187 | V26-L183 HydrophobicContact CB-CD2 4.43Å; V26-L183 HydrophobicContact CG1-CB 4.1Å; V26-L183 HydrophobicContact CG1-CD2 3.85Å; V26-L183 HydrophobicContact CG1-CG 4.47Å; V27-L183 HydrophobicContact CG2-CD2 3.82Å; L31-L183 HydrophobicContact CD1-CD2 3.82Å; A150-L183 HydrophobicContact CB-CD1 4.36Å; A150-L183 HydrophobicContact CB-CD2 4.34Å; A150-L183 HydrophobicContact CB-CG 4.43Å; V154-L183 HydrophobicContact CG2-CD2 4.06Å; H179-L183 WeakPolarHBondContact O-CB 3.36Å; H179-L183 PolarHBondContact O-N 2.97Å; T180-L183 PolarHBondContact O-N 3.25Å; L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.42Å; L183-S187 PolarHBondContact O-OG 2.88Å |
| 184 | V | 98.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L151 V154 T180 I181 I182 I186 S187 C188 | L151-V184 HydrophobicContact CD2-CB 4.39Å; L151-V184 HydrophobicContact CD2-CG1 4.1Å; L151-V184 HydrophobicContact CD2-CG2 4.23Å; V154-V184 HydrophobicContact CB-CG2 4.41Å; V154-V184 HydrophobicContact CG1-CG2 3.86Å; V154-V184 HydrophobicContact CG2-CG2 4.21Å; T180-V184 HydrophobicContact CG2-CG2 4.48Å; T180-V184 VanDerWaalsContact O-CG2 3.3Å; T180-V184 WeakPolarHBondContact O-CG2 3.25Å; T180-V184 PolarHBondContact O-N 3.43Å; I181-V184 PolarHBondContact O-N 3.38Å; I182-V184 PolarHBondContact O-N 3.31Å; V184-I186 PolarHBondContact O-N 2.87Å; V184-S187 PolarHBondContact O-N 3.37Å; V184-C188 WeakPolarHBondContact O-CB 3.35Å; V184-C188 PolarHBondContact O-N 3.43Å; V184-C188 PolarHBondContact O-SG 3.35Å |
| 185 | A | 98.1 | Very high | 94.7 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | I181 I182 C188 L189 | I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 3.48Å; I182-A185 PolarHBondContact O-N 3.42Å; A185-C188 PolarHBondContact O-N 3.2Å; A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 VanDerWaalsContact O-CG 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.28Å; A185-L189 PolarHBondContact O-N 2.9Å |
| 186 | I | 97 | Very high | 95.1 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 175.9 | -69.8 | 172.4 | 0 | 0 | 0 | 110.1 | L19 Y22 I182 V184 C188 L189 F190 | L19-I186 HydrophobicContact CD2-CD1 4.07Å; L19-I186 HydrophobicContact CD2-CG2 4.25Å; Y22-I186 HydrophobicContact CD1-CD1 4.25Å; Y22-I186 HydrophobicContact CE1-CD1 4.06Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.32Å; I182-I186 WeakPolarHBondContact O-CB 3.49Å; I182-I186 VanDerWaalsContact O-CG1 3.28Å; I182-I186 WeakPolarHBondContact O-CG1 3.27Å; I182-I186 PolarHBondContact O-N 3.18Å; V184-I186 PolarHBondContact O-N 2.87Å; I186-C188 VanDerWaalsContact C-N 3.34Å; I186-C188 PolarHBondContact O-N 2.94Å; I186-L189 PolarHBondContact O-N 2.89Å; I186-F190 HydrophobicContact CG2-CD2 3.67Å; I186-F190 HydrophobicContact CG2-CE2 4.05Å; I186-F190 WeakPolarHBondContact O-CB 3.39Å; I186-F190 WeakPolarHBondContact O-CD2 3.23Å; I186-F190 PolarHBondContact O-N 3.43Å |
| 187 | S | 97.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | -177.2 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | L183 V184 G191 | L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.42Å; L183-S187 PolarHBondContact O-OG 2.88Å; V184-S187 PolarHBondContact O-N 3.37Å; S187-G191 VanDerWaalsContact O-CA 3.27Å; S187-G191 WeakPolarHBondContact O-CA 3.35Å; S187-G191 PolarHBondContact O-N 3.3Å |
| 188 | C | 97.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.8 | -47.8 | 176.7 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | V184 A185 I186 G191 L192 | V184-C188 WeakPolarHBondContact O-CB 3.35Å; V184-C188 PolarHBondContact O-N 3.43Å; V184-C188 PolarHBondContact O-SG 3.35Å; A185-C188 PolarHBondContact O-N 3.2Å; I186-C188 VanDerWaalsContact C-N 3.34Å; I186-C188 PolarHBondContact O-N 2.94Å; C188-G191 PolarHBondContact O-N 2.69Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 VanDerWaalsContact O-CG 3.28Å; C188-L192 WeakPolarHBondContact O-CG 3.35Å; C188-L192 PolarHBondContact O-N 3.41Å |
| 189 | L | 95.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 55.9 Ų | 55.9 | 67% | 0.665 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -50 | -178.4 | -70.5 | 174.1 | 0 | 0 | 0 | 111.7 | A185 I186 F193 | A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 VanDerWaalsContact O-CG 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.28Å; A185-L189 PolarHBondContact O-N 2.9Å; I186-L189 PolarHBondContact O-N 2.89Å; L189-F193 PolarHBondContact O-N 2.81Å; L189-F193 VanDerWaalsContact O-N 3.14Å |
| 190 | F | 90.8 | Very high | 95.6 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 26% | 0.263 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 176.2 | -78.1 | -80.9 | 0 | 0 | 0 | 111.5 | L19 I186 L192 F193 I194 | L19-F190 HydrophobicContact CD1-CE1 4.19Å; L19-F190 HydrophobicContact CD1-CE2 3.71Å; L19-F190 HydrophobicContact CD1-CZ 3.44Å; L19-F190 VanDerWaalsContact CD1-CZ 3.44Å; L19-F190 HydrophobicContact CD2-CE2 4.47Å; I186-F190 HydrophobicContact CG2-CD2 3.67Å; I186-F190 HydrophobicContact CG2-CE2 4.05Å; I186-F190 WeakPolarHBondContact O-CB 3.39Å; I186-F190 WeakPolarHBondContact O-CD2 3.23Å; I186-F190 PolarHBondContact O-N 3.43Å; F190-L192 PolarHBondContact O-N 3.4Å; F190-F193 PolarHBondContact O-N 2.92Å; F190-I194 VanDerWaalsContact O-CB 3.29Å; F190-I194 WeakPolarHBondContact O-CB 3.42Å; F190-I194 WeakPolarHBondContact O-CG1 3.3Å; F190-I194 PolarHBondContact O-N 3.29Å |
| 191 | G | 93 | Very high | 95.7 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S187 C188 I194 L195 | S187-G191 VanDerWaalsContact O-CA 3.27Å; S187-G191 WeakPolarHBondContact O-CA 3.35Å; S187-G191 PolarHBondContact O-N 3.3Å; C188-G191 PolarHBondContact O-N 2.69Å; G191-I194 PolarHBondContact O-N 2.91Å; G191-L195 WeakPolarHBondContact O-CB 3.32Å; G191-L195 VanDerWaalsContact O-CG 3.24Å; G191-L195 WeakPolarHBondContact O-CG 3.48Å; G191-L195 PolarHBondContact O-N 2.96Å |
| 192 | L | 94.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 59.5 Ų | 59.5 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 177.3 | -69.7 | 173.9 | 0 | 0 | 0 | 112.4 | C188 F190 I194 L195 A196 | C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 VanDerWaalsContact O-CG 3.28Å; C188-L192 WeakPolarHBondContact O-CG 3.35Å; C188-L192 PolarHBondContact O-N 3.41Å; F190-L192 PolarHBondContact O-N 3.4Å; L192-I194 PolarHBondContact O-N 3.47Å; L192-L195 PolarHBondContact O-N 3.08Å; L192-A196 PolarHBondContact O-N 2.93Å; L192-A196 VanDerWaalsContact O-N 3.12Å |
| 193 | F | 95 | Very high | 95.4 | Very high | 97 Ų | 97 | 61 Ų | 61 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 178 | 178.5 | -116.1 | 0 | 0 | 0 | 112.2 | L189 F190 A196 I197 | L189-F193 PolarHBondContact O-N 2.81Å; L189-F193 VanDerWaalsContact O-N 3.14Å; F190-F193 PolarHBondContact O-N 2.92Å; F193-A196 PolarHBondContact O-N 3.43Å; F193-I197 HydrophobicContact CD1-CD1 4.17Å; F193-I197 HydrophobicContact CD2-CD1 4.33Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE2-CD1 3.69Å; F193-I197 HydrophobicContact CE2-CG1 4.3Å; F193-I197 HydrophobicContact CZ-CD1 3.26Å; F193-I197 HydrophobicContact CZ-CG1 4.32Å; F193-I197 PolarHBondContact O-N 3.41Å; F193-I197 VanDerWaalsContact O-N 3.11Å |
| 194 | I | 95.1 | Very high | 95 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 179.2 | -66.7 | -71.6 | 0 | 0 | 0 | 111 | L140 V143 F190 G191 L192 A196 I197 L198 | L140-I194 HydrophobicContact CB-CG2 4.14Å; L140-I194 HydrophobicContact CD2-CD1 3.4Å; L140-I194 HydrophobicContact CD2-CG2 4.35Å; L140-I194 VanDerWaalsContact O-CG2 3.23Å; L140-I194 WeakPolarHBondContact O-CG2 3.37Å; V143-I194 HydrophobicContact CB-CD1 4.3Å; V143-I194 HydrophobicContact CB-CG1 4.29Å; V143-I194 HydrophobicContact CG1-CD1 4.07Å; V143-I194 HydrophobicContact CG1-CG1 3.71Å; F190-I194 VanDerWaalsContact O-CB 3.29Å; F190-I194 WeakPolarHBondContact O-CB 3.42Å; F190-I194 WeakPolarHBondContact O-CG1 3.3Å; F190-I194 PolarHBondContact O-N 3.29Å; G191-I194 PolarHBondContact O-N 2.91Å; L192-I194 PolarHBondContact O-N 3.47Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.44Å; I194-I197 PolarHBondContact O-N 3.25Å; I194-L198 WeakPolarHBondContact O-CB 3.46Å; I194-L198 PolarHBondContact O-N 3.21Å |
| 195 | L | 95.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 55% | 0.55 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 174.1 | -76.1 | 170.9 | 0 | 0 | 0 | 111.7 | G191 L192 S199 | G191-L195 WeakPolarHBondContact O-CB 3.32Å; G191-L195 VanDerWaalsContact O-CG 3.24Å; G191-L195 WeakPolarHBondContact O-CG 3.48Å; G191-L195 PolarHBondContact O-N 2.96Å; L192-L195 PolarHBondContact O-N 3.08Å; L195-S199 WeakPolarHBondContact O-CB 3.3Å; L195-S199 PolarHBondContact O-N 3.26Å; L195-S199 PolarHBondContact O-OG 3.24Å |
| 196 | A | 96 | Very high | 94.1 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -53 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L192 F193 I194 L198 S199 D200 | L192-A196 PolarHBondContact O-N 2.93Å; L192-A196 VanDerWaalsContact O-N 3.12Å; F193-A196 PolarHBondContact O-N 3.43Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.44Å; A196-L198 VanDerWaalsContact C-N 3.34Å; A196-L198 PolarHBondContact O-N 2.76Å; A196-S199 WeakPolarHBondContact O-CB 3.29Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.16Å; A196-D200 PolarHBondContact O-N 2.61Å |
| 197 | I | 95.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | -179.9 | -64.5 | -179.2 | 0 | 0 | 0 | 111.4 | F136 L140 F193 I194 S199 D200 Q201 | F136-I197 HydrophobicContact CE1-CG2 4.07Å; F136-I197 HydrophobicContact CZ-CG2 4.13Å; L140-I197 HydrophobicContact CD1-CB 4.41Å; L140-I197 HydrophobicContact CD1-CG2 3.64Å; L140-I197 HydrophobicContact CD2-CG2 4.25Å; F193-I197 HydrophobicContact CD1-CD1 4.17Å; F193-I197 HydrophobicContact CD2-CD1 4.33Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE2-CD1 3.69Å; F193-I197 HydrophobicContact CE2-CG1 4.3Å; F193-I197 HydrophobicContact CZ-CD1 3.26Å; F193-I197 HydrophobicContact CZ-CG1 4.32Å; F193-I197 PolarHBondContact O-N 3.41Å; F193-I197 VanDerWaalsContact O-N 3.11Å; I194-I197 PolarHBondContact O-N 3.25Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 2.91Å; I197-D200 PolarHBondContact O-N 2.88Å; I197-Q201 HydrophobicContact CG2-CG 4.28Å; I197-Q201 WeakPolarHBondContact O-CG 3.46Å; I197-Q201 PolarHBondContact O-N 3.14Å |
| 198 | L | 95.7 | Very high | 92.9 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178 | -173.5 | 61.6 | 0 | 0 | 0 | 111.4 | I137 L140 I141 I194 A196 Q201 Y202 | I137-L198 HydrophobicContact CG2-CD1 3.98Å; L140-L198 HydrophobicContact CB-CD1 4.15Å; L140-L198 HydrophobicContact CD1-CB 4.45Å; L140-L198 HydrophobicContact CD1-CD1 4.3Å; I141-L198 HydrophobicContact CG1-CD1 4.18Å; I141-L198 HydrophobicContact CG1-CD2 4.26Å; I194-L198 WeakPolarHBondContact O-CB 3.46Å; I194-L198 PolarHBondContact O-N 3.21Å; A196-L198 VanDerWaalsContact C-N 3.34Å; A196-L198 PolarHBondContact O-N 2.76Å; L198-Q201 PolarHBondContact O-N 3.39Å; L198-Y202 WeakPolarHBondContact O-CB 3.37Å; L198-Y202 PolarHBondContact O-N 2.95Å |
| 199 | S | 95.7 | Very high | 92.2 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.8 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | L195 A196 I197 Y202 K203 | L195-S199 WeakPolarHBondContact O-CB 3.3Å; L195-S199 PolarHBondContact O-N 3.26Å; L195-S199 PolarHBondContact O-OG 3.24Å; A196-S199 WeakPolarHBondContact O-CB 3.29Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.16Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 2.91Å; S199-Y202 PolarHBondContact O-N 2.85Å; S199-K203 WeakPolarHBondContact O-CB 3.37Å; S199-K203 PolarHBondContact O-N 3.42Å |
| 200 | D | 92.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 176.2 | -73.5 | -15.7 | 0 | 0 | 0 | 112.1 | A196 I197 Y202 K203 S204 | A196-D200 PolarHBondContact O-N 2.61Å; I197-D200 PolarHBondContact O-N 2.88Å; D200-Y202 PolarHBondContact O-N 3.1Å; D200-K203 PolarHBondContact O-N 3.37Å; D200-S204 WeakPolarHBondContact O-CB 3.26Å; D200-S204 PolarHBondContact O-N 2.91Å |
| 201 | Q | 94.8 | Very high | 91 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.1 | -67.4 | -59 | -68.5 | 0 | 0 | 111.6 | D118 F136 I137 L140 I197 L198 S204 I205 | D118-Q201 PolarHBondContact OD1-NE2 2.94Å; F136-Q201 HydrophobicContact CD1-CG 4.39Å; F136-Q201 HydrophobicContact CE1-CG 4.13Å; I137-Q201 HydrophobicContact CD1-CB 4.45Å; I137-Q201 HydrophobicContact CG1-CB 4.19Å; I137-Q201 HydrophobicContact CG1-CG 4.45Å; L140-Q201 HydrophobicContact CD1-CG 4.12Å; I197-Q201 HydrophobicContact CG2-CG 4.28Å; I197-Q201 WeakPolarHBondContact O-CG 3.46Å; I197-Q201 PolarHBondContact O-N 3.14Å; L198-Q201 PolarHBondContact O-N 3.39Å; Q201-S204 PolarHBondContact O-N 3.43Å; Q201-I205 VanDerWaalsContact O-CG1 3.32Å; Q201-I205 WeakPolarHBondContact O-CG1 3.35Å; Q201-I205 PolarHBondContact O-N 2.99Å |
| 202 | Y | 94.4 | Very high | 90.2 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 48% | 0.475 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 173.4 | 174.1 | -93.8 | 0 | 0 | 0 | 111.3 | L198 S199 D200 I205 V206 F254 | L198-Y202 WeakPolarHBondContact O-CB 3.37Å; L198-Y202 PolarHBondContact O-N 2.95Å; S199-Y202 PolarHBondContact O-N 2.85Å; D200-Y202 PolarHBondContact O-N 3.1Å; Y202-I205 PolarHBondContact O-N 2.93Å; Y202-V206 HydrophobicContact CD1-CG2 4.39Å; Y202-V206 HydrophobicContact CD2-CG2 4.5Å; Y202-V206 HydrophobicContact CE1-CG2 3.96Å; Y202-V206 HydrophobicContact CE2-CG2 4.06Å; Y202-V206 WeakPolarHBondContact O-CG2 3.4Å; Y202-V206 PolarHBondContact O-N 3.18Å; Y202-F254 AromaticContact CD2-CZ 3.77Å; Y202-F254 HydrophobicContact CD2-CZ 3.77Å; Y202-F254 HydrophobicContact CE2-CE2 4.28Å; Y202-F254 AromaticContact CE2-CZ 3.79Å; Y202-F254 HydrophobicContact CE2-CZ 3.79Å |
| 203 | K | 92.3 | Very high | 89.2 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 177 | -175.9 | -179.9 | 176.6 | -175 | 0 | 111.6 | S199 D200 I205 V206 E207 | S199-K203 WeakPolarHBondContact O-CB 3.37Å; S199-K203 PolarHBondContact O-N 3.42Å; D200-K203 PolarHBondContact O-N 3.37Å; K203-I205 VanDerWaalsContact C-N 3.26Å; K203-I205 PolarHBondContact O-N 2.95Å; K203-V206 PolarHBondContact O-N 2.81Å; K203-V206 VanDerWaalsContact O-N 3.14Å; K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact CE-OE2 3.4Å; K203-E207 VanDerWaalsContact CG-CD 3.46Å; K203-E207 HydrophobicContact CG-CG 4.16Å; K203-E207 WeakPolarHBondContact O-CB 3.4Å; K203-E207 WeakPolarHBondContact O-CG 3.35Å; K203-E207 PolarHBondContact O-N 3.43Å |
| 204 | S | 89.3 | Confident | 88.3 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.2 | -42 | 175.7 | 165.3 | 0 | 0 | 0 | 0 | 112.3 | D200 Q201 D208 T209 | D200-S204 WeakPolarHBondContact O-CB 3.26Å; D200-S204 PolarHBondContact O-N 2.91Å; Q201-S204 PolarHBondContact O-N 3.43Å; S204-D208 WeakPolarHBondContact O-CA 3.45Å; S204-D208 PolarHBondContact O-N 3.29Å; S204-D208 VanDerWaalsContact O-N 3.09Å; S204-T209 WeakPolarHBondContact CA-O 3.3Å; S204-T209 WeakPolarHBondContact CB-O 3.27Å; S204-T209 PolarHBondContact O-N 2.86Å; S204-T209 VanDerWaalsContact O-N 3.08Å; S204-T209 PolarHBondContact OG-O 3.4Å |
| 205 | I | 88.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.7 | -49.2 | 176.7 | -67.6 | 173.5 | 0 | 0 | 0 | 111.3 | I137 Q201 Y202 K203 E207 D208 L253 F254 V257 F258 | I137-I205 HydrophobicContact CD1-CD1 3.51Å; Q201-I205 VanDerWaalsContact O-CG1 3.32Å; Q201-I205 WeakPolarHBondContact O-CG1 3.35Å; Q201-I205 PolarHBondContact O-N 2.99Å; Y202-I205 PolarHBondContact O-N 2.93Å; K203-I205 VanDerWaalsContact C-N 3.26Å; K203-I205 PolarHBondContact O-N 2.95Å; I205-E207 VanDerWaalsContact C-N 3.33Å; I205-E207 PolarHBondContact O-N 2.96Å; I205-D208 PolarHBondContact O-N 2.9Å; I205-L253 HydrophobicContact CG2-CB 4.05Å; I205-L253 WeakPolarHBondContact O-CD1 3.37Å; I205-F254 HydrophobicContact CD1-CD1 4.49Å; I205-F254 HydrophobicContact CD1-CE1 4.19Å; I205-F254 HydrophobicContact CG2-CD1 4.27Å; I205-F254 HydrophobicContact CG2-CD2 4.06Å; I205-F254 HydrophobicContact CG2-CE1 4.24Å; I205-F254 HydrophobicContact CG2-CE2 4.03Å; I205-F254 HydrophobicContact CG2-CG 4.16Å; I205-F254 HydrophobicContact CG2-CZ 4.11Å; I205-V257 HydrophobicContact CD1-CB 4.42Å; I205-V257 HydrophobicContact CD1-CG1 4.33Å; I205-V257 HydrophobicContact CD1-CG2 4.09Å; I205-V257 HydrophobicContact CG1-CG2 4.04Å; I205-F258 HydrophobicContact CD1-CE2 4.36Å |
| 206 | V | 89.6 | Confident | 86.3 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -32.9 | -174.5 | 172 | 0 | 0 | 0 | 0 | 112.2 | Y202 K203 F254 | Y202-V206 HydrophobicContact CD1-CG2 4.39Å; Y202-V206 HydrophobicContact CD2-CG2 4.5Å; Y202-V206 HydrophobicContact CE1-CG2 3.96Å; Y202-V206 HydrophobicContact CE2-CG2 4.06Å; Y202-V206 WeakPolarHBondContact O-CG2 3.4Å; Y202-V206 PolarHBondContact O-N 3.18Å; K203-V206 PolarHBondContact O-N 2.81Å; K203-V206 VanDerWaalsContact O-N 3.14Å; V206-F254 HydrophobicContact CG2-CE2 4.25Å |
| 207 | E | 83.5 | Confident | 84.9 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -87.2 | -9 | 177.9 | -65.8 | -179.5 | 172.8 | 0 | 0 | 112.8 | K203 I205 T209 | K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact CE-OE2 3.4Å; K203-E207 VanDerWaalsContact CG-CD 3.46Å; K203-E207 HydrophobicContact CG-CG 4.16Å; K203-E207 WeakPolarHBondContact O-CB 3.4Å; K203-E207 WeakPolarHBondContact O-CG 3.35Å; K203-E207 PolarHBondContact O-N 3.43Å; I205-E207 VanDerWaalsContact C-N 3.33Å; I205-E207 PolarHBondContact O-N 2.96Å; E207-T209 HydrophobicContact CB-CG2 4.15Å; E207-T209 PolarHBondContact O-N 3.31Å |
| 208 | D | 84.6 | Confident | 83.7 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 37.2 | -172 | -166.3 | 24.4 | 0 | 0 | 0 | 112.5 | R103 R116 S204 I205 R246 L253 | R103-D208 VanDerWaalsContact CZ-O 3.29Å; R103-D208 IonicContact CZ-OD1 2.99Å; R103-D208 PolarHBondContact NH1-O 2.82Å; R103-D208 IonicContact NH1-OD1 3.25Å; R103-D208 PolarHBondContact NH1-OD1 2.82Å; R103-D208 IonicContact NH1-OD2 3.52Å; R103-D208 PolarHBondContact NH2-O 3.13Å; R103-D208 IonicContact NH2-OD1 3.82Å; R116-D208 IonicContact CZ-OD1 3.9Å; R116-D208 IonicContact NH1-OD1 2.92Å; R116-D208 IonicContact NH2-OD1 2.69Å; R116-D208 PolarHBondContact NH2-OD1 3.48Å; S204-D208 WeakPolarHBondContact O-CA 3.45Å; S204-D208 PolarHBondContact O-N 3.29Å; S204-D208 VanDerWaalsContact O-N 3.09Å; I205-D208 PolarHBondContact O-N 2.9Å; D208-R246 IonicContact OD1-NH2 3.34Å; D208-R246 PolarHBondContact OD1-NH2 3.48Å; D208-R246 IonicContact OD2-CZ 3.27Å; D208-R246 VanDerWaalsContact OD2-CZ 3.27Å; D208-R246 IonicContact OD2-NE 2.95Å; D208-R246 PolarHBondContact OD2-NE 2.68Å; D208-R246 IonicContact OD2-NH2 2.78Å; D208-R246 PolarHBondContact OD2-NH2 3.02Å; D208-L253 HydrophobicContact CB-CD2 3.87Å |
| 209 | T | 82.8 | Confident | 82.6 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -115.3 | 146.2 | -179.9 | 55.3 | 0 | 0 | 0 | 0 | 111 | S204 E207 E213 | S204-T209 WeakPolarHBondContact CA-O 3.3Å; S204-T209 WeakPolarHBondContact CB-O 3.27Å; S204-T209 PolarHBondContact O-N 2.86Å; S204-T209 VanDerWaalsContact O-N 3.08Å; S204-T209 PolarHBondContact OG-O 3.4Å; E207-T209 HydrophobicContact CB-CG2 4.15Å; E207-T209 PolarHBondContact O-N 3.31Å; T209-E213 WeakPolarHBondContact CA-OE2 3.17Å | ||
| 210 | T | 82.3 | Confident | 81 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | trans | -84.1 | 158.3 | 165.4 | 65 | 0 | 0 | 0 | 0 | 110 | R116 M117 V212 E213 A214 | R116-T210 HydrophobicContact CB-CG2 4.5Å; R116-T210 HydrophobicContact CG-CG2 3.66Å; M117-T210 WeakPolarHBondContact O-CB 3.35Å; T210-V212 PolarHBondContact O-N 2.89Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 3.48Å; T210-E213 VanDerWaalsContact O-N 3.1Å; T210-E213 WeakPolarHBondContact OG1-CB 3.38Å; T210-E213 VanDerWaalsContact OG1-CG 3.24Å; T210-E213 WeakPolarHBondContact OG1-CG 3.36Å; T210-E213 PolarHBondContact OG1-N 2.9Å; T210-E213 VanDerWaalsContact OG1-N 3.13Å; T210-E213 PolarHBondContact OG1-OE2 3.33Å; T210-A214 PolarHBondContact O-N 3.13Å | ||
| 211 | A | 79 | Confident | 79 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.4 | -35 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D118 W215 | D118-A211 WeakPolarHBondContact OD2-CB 3.37Å; D118-A211 PolarHBondContact OD2-N 2.87Å; A211-W215 PolarHBondContact O-N 3.38Å; A211-W215 VanDerWaalsContact O-N 3.16Å |
| 212 | V | 76.7 | Confident | 76.9 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | H105 T210 W215 L216 | H105-V212 VanDerWaalsContact CE1-CG1 3.42Å; H105-V212 WeakPolarHBondContact CE1-CG1 3.26Å; T210-V212 PolarHBondContact O-N 2.89Å; V212-W215 PolarHBondContact O-N 3.27Å; V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.5Å; V212-L216 VanDerWaalsContact O-CG 3.26Å; V212-L216 WeakPolarHBondContact O-CG 3.33Å; V212-L216 PolarHBondContact O-N 2.97Å |
| 213 | E | 75 | Confident | 74.2 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.9 | -74.1 | 156.6 | -168.4 | 0 | 0 | 111.7 | R103 T209 T210 W215 L216 S217 | R103-E213 WeakPolarHBondContact CA-OE1 3.36Å; R103-E213 WeakPolarHBondContact CB-OE1 3.32Å; R103-E213 WeakPolarHBondContact CG-OE1 3.45Å; R103-E213 IonicContact CZ-OE1 3.25Å; R103-E213 IonicContact CZ-OE2 2.86Å; R103-E213 IonicContact NE-OE1 3.8Å; R103-E213 PolarHBondContact NE-OE1 3.32Å; R103-E213 IonicContact NE-OE2 3.38Å; R103-E213 PolarHBondContact NE-OE2 2.94Å; R103-E213 IonicContact NH2-OE1 3.68Å; R103-E213 IonicContact NH2-OE2 2.87Å; R103-E213 PolarHBondContact NH2-OE2 3.48Å; T209-E213 WeakPolarHBondContact CA-OE2 3.17Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 3.48Å; T210-E213 VanDerWaalsContact O-N 3.1Å; T210-E213 WeakPolarHBondContact OG1-CB 3.38Å; T210-E213 VanDerWaalsContact OG1-CG 3.24Å; T210-E213 WeakPolarHBondContact OG1-CG 3.36Å; T210-E213 PolarHBondContact OG1-N 2.9Å; T210-E213 VanDerWaalsContact OG1-N 3.13Å; T210-E213 PolarHBondContact OG1-OE2 3.33Å; E213-W215 VanDerWaalsContact C-N 3.28Å; E213-W215 PolarHBondContact O-N 3.24Å; E213-L216 PolarHBondContact O-N 3.4Å; E213-L216 VanDerWaalsContact O-N 3.17Å; E213-S217 WeakPolarHBondContact O-CB 3.26Å; E213-S217 PolarHBondContact O-N 2.88Å; E213-S217 PolarHBondContact O-OG 2.72Å |
| 214 | A | 76.1 | Confident | 71.7 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T210 S217 G218 | T210-A214 PolarHBondContact O-N 3.13Å; A214-S217 WeakPolarHBondContact CA-OG 3.37Å; A214-S217 PolarHBondContact O-OG 3.28Å; A214-G218 PolarHBondContact O-N 2.88Å; A214-G218 VanDerWaalsContact O-N 3.12Å |
| 215 | W | 74.5 | Confident | 69.1 | Low | 167 Ų | 167 | 66.5 Ų | 66.5 | 63% | 0.633 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.7 | -41.9 | 176.3 | -174.8 | 87.7 | 0 | 0 | 0 | 112.5 | A211 V212 E213 G218 N219 | A211-W215 PolarHBondContact O-N 3.38Å; A211-W215 VanDerWaalsContact O-N 3.16Å; V212-W215 PolarHBondContact O-N 3.27Å; E213-W215 VanDerWaalsContact C-N 3.28Å; E213-W215 PolarHBondContact O-N 3.24Å; W215-G218 PolarHBondContact O-N 3.48Å; W215-N219 PolarHBondContact NE1-ND2 2.9Å; W215-N219 VanDerWaalsContact NE1-ND2 3.16Å; W215-N219 PolarHBondContact O-N 3.31Å; W215-N219 PolarHBondContact O-ND2 3.44Å |
| 216 | L | 73.6 | Confident | 66.6 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 20% | 0.204 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.7 | -71.1 | 165.7 | 0 | 0 | 0 | 111.4 | V212 E213 G218 N219 I220 V240 | V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.5Å; V212-L216 VanDerWaalsContact O-CG 3.26Å; V212-L216 WeakPolarHBondContact O-CG 3.33Å; V212-L216 PolarHBondContact O-N 2.97Å; E213-L216 PolarHBondContact O-N 3.4Å; E213-L216 VanDerWaalsContact O-N 3.17Å; L216-G218 VanDerWaalsContact C-N 3.28Å; L216-G218 PolarHBondContact O-N 3.32Å; L216-N219 PolarHBondContact O-N 3.49Å; L216-I220 HydrophobicContact CD2-CD1 4.39Å; L216-I220 WeakPolarHBondContact O-CB 3.48Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.47Å; L216-I220 VanDerWaalsContact O-N 3.11Å; L216-V240 HydrophobicContact CB-CG1 4.05Å; L216-V240 HydrophobicContact CD1-CG1 3.6Å; L216-V240 HydrophobicContact CD2-CG1 4.46Å; L216-V240 HydrophobicContact CG-CG1 4.23Å |
| 217 | S | 65.5 | Low | 63.7 | Low | 66 Ų | 66 | 78.3 Ų | 78.3 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -27 | 177.5 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | E213 A214 | E213-S217 WeakPolarHBondContact O-CB 3.26Å; E213-S217 PolarHBondContact O-N 2.88Å; E213-S217 PolarHBondContact O-OG 2.72Å; A214-S217 WeakPolarHBondContact CA-OG 3.37Å; A214-S217 PolarHBondContact O-OG 3.28Å |
| 218 | G | 70.6 | Confident | 61.1 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -82.4 | -27.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A214 W215 L216 | A214-G218 PolarHBondContact O-N 2.88Å; A214-G218 VanDerWaalsContact O-N 3.12Å; W215-G218 PolarHBondContact O-N 3.48Å; L216-G218 VanDerWaalsContact C-N 3.28Å; L216-G218 PolarHBondContact O-N 3.32Å |
| 219 | N | 72.6 | Confident | 58.3 | Low | 98 Ų | 98 | 85.4 Ų | 85.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -103.5 | -18.2 | -174.5 | -68.3 | -63 | 0 | 0 | 0 | 114.1 | W215 L216 P221 | W215-N219 PolarHBondContact NE1-ND2 2.9Å; W215-N219 VanDerWaalsContact NE1-ND2 3.16Å; W215-N219 PolarHBondContact O-N 3.31Å; W215-N219 PolarHBondContact O-ND2 3.44Å; L216-N219 PolarHBondContact O-N 3.49Å; N219-P221 WeakPolarHBondContact O-CD 3.29Å |
| 220 | I | 62.4 | Low | 55.5 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -93.7 | 106.6 | 171.8 | -58.5 | 171.8 | 0 | 0 | 0 | 105.5 | L216 H222 | L216-I220 HydrophobicContact CD2-CD1 4.39Å; L216-I220 WeakPolarHBondContact O-CB 3.48Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.47Å; L216-I220 VanDerWaalsContact O-N 3.11Å; I220-H222 PolarHBondContact O-N 3.21Å |
| 221 | P | 50.6 | Low | 52.9 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -55.1 | 122.6 | 170.2 | -15.1 | 28.2 | 0 | 0 | 0 | 105.7 | N219 S223 | N219-P221 WeakPolarHBondContact O-CD 3.29Å; P221-S223 VanDerWaalsContact C-N 3.29Å; P221-S223 PolarHBondContact O-N 2.92Å | ||
| 222 | H | 50.3 | Low | 50.6 | Low | 160 Ų | 160 | 103 Ų | 103 | 74% | 0.741 | 60% | 0.596 | S | S | * | * | trans | -50.8 | 108.3 | 163.9 | -68 | -64.9 | 0 | 0 | 0 | 105 | I220 S224 | I220-H222 PolarHBondContact O-N 3.21Å; H222-S224 PolarHBondContact O-N 3.44Å | ||
| 223 | S | 39.1 | Very low | 48.3 | Very low | 111 Ų | 111 | 105 Ų | 105 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | -50.4 | 111.5 | 158.4 | 52.4 | 0 | 0 | 0 | 0 | 103.2 | P221 S225 | P221-S223 VanDerWaalsContact C-N 3.29Å; P221-S223 PolarHBondContact O-N 2.92Å; S223-S225 PolarHBondContact O-N 2.9Å | ||
| 224 | S | 38.7 | Very low | 46.2 | Very low | 98 Ų | 98 | 108.5 Ų | 108.5 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -35.6 | 136.5 | 172.7 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | H222 | H222-S224 PolarHBondContact O-N 3.44Š|
| 225 | S | 35 | Very low | 43.9 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | trans | 58.3 | 111.5 | 156 | 65.1 | 0 | 0 | 0 | 0 | 115.6 | S223 | S223-S225 PolarHBondContact O-N 2.9Š| ||
| 226 | D | 35.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 109.7 Ų | 109.7 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | 163.9 | 126.8 | 109.1 | -76.4 | -36.8 | 0 | 0 | 0 | 109.4 | E228 | D226-E228 HydrophobicContact CB-CB 4.36Å; D226-E228 HydrophobicContact CB-CG 4.19Å; D226-E228 PolarHBondContact O-N 3.02Å | |||
| 227 | T | 30.2 | Very low | 40.2 | Very low | 159 Ų | 159 | 116 Ų | 116 | 98% | 0.975 | 72% | 0.719 | S | S | * | * | trans | -70.4 | 29.9 | 173.6 | -18.4 | 0 | 0 | 0 | 0 | 111.3 | A229 | T227-A229 PolarHBondContact O-N 3.2Š| ||
| 228 | E | 27.1 | Very low | 38.8 | Very low | 138 Ų | 138 | 115 Ų | 115 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | trans | -92.8 | 101.5 | -178.6 | -68.1 | -161.7 | 166.9 | 0 | 0 | 108.8 | D226 Y230 | D226-E228 HydrophobicContact CB-CB 4.36Å; D226-E228 HydrophobicContact CB-CG 4.19Å; D226-E228 PolarHBondContact O-N 3.02Å; E228-Y230 VanDerWaalsContact C-N 3.31Å; E228-Y230 PolarHBondContact O-N 2.92Å | ||
| 229 | A | 26.6 | Very low | 37.4 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -56.7 | 94.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | T227 P231 | T227-A229 PolarHBondContact O-N 3.2Å; A229-P231 VanDerWaalsContact O-CD 3.28Å; A229-P231 WeakPolarHBondContact O-CD 3.23Å | ||
| 230 | Y | 23.6 | Very low | 36.2 | Very low | 201 Ų | 201 | 116.2 Ų | 116.2 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | trans | -75.4 | 119.8 | 169.5 | -109.1 | -88.6 | 0 | 0 | 0 | 109.2 | E228 | E228-Y230 VanDerWaalsContact C-N 3.31Å; E228-Y230 PolarHBondContact O-N 2.92Å | ||
| 231 | P | 29.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -97.6 | 90.3 | 168.3 | 32.5 | -17.1 | 0 | 0 | 0 | 107.5 | A229 | A229-P231 VanDerWaalsContact O-CD 3.28Å; A229-P231 WeakPolarHBondContact O-CD 3.23Å | ||
| 232 | D | 29.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 112 Ų | 112 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -148.8 | 124.8 | 164.5 | -162.9 | 1.9 | 0 | 0 | 0 | 111.9 | S234 | D232-S234 VanDerWaalsContact C-N 3.31Å; D232-S234 PolarHBondContact O-N 3.43Å; D232-S234 VanDerWaalsContact O-N 3.07Å | ||
| 233 | G | 29.2 | Very low | 34.7 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | trans | -79.5 | 75.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 234 | S | 29.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 110.2 Ų | 110.2 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -142.3 | 146.5 | 163.1 | 81.9 | 0 | 0 | 0 | 0 | 111.2 | D232 N236 | D232-S234 VanDerWaalsContact C-N 3.31Å; D232-S234 PolarHBondContact O-N 3.43Å; D232-S234 VanDerWaalsContact O-N 3.07Å; S234-N236 PolarHBondContact O-N 3.31Å; S234-N236 VanDerWaalsContact O-N 3.12Å |
| 235 | G | 29.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 113.9 Ų | 113.9 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | -51.6 | 113 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | N | 32 | Very low | 38 | Very low | 147 Ų | 147 | 114 Ų | 114 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -142.4 | 115.1 | 151.5 | -142.1 | -3.5 | 0 | 0 | 0 | 107.2 | S234 G238 | S234-N236 PolarHBondContact O-N 3.31Å; S234-N236 VanDerWaalsContact O-N 3.12Å; N236-G238 PolarHBondContact O-N 2.75Å | ||
| 237 | D | 37.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 118 Ų | 118 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 30.5 | 174.3 | -72.9 | -41.8 | 0 | 0 | 0 | 112.1 | ||
| 238 | G | 36 | Very low | 42.4 | Very low | 44 Ų | 44 | 113.4 Ų | 113.4 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.3 | -0.6 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | N236 V240 | N236-G238 PolarHBondContact O-N 2.75Å; G238-V240 PolarHBondContact O-N 3.31Å |
| 239 | V | 41.6 | Very low | 45.3 | Very low | 119 Ų | 119 | 110 Ų | 110 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -85.4 | 66 | 169.8 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | G241 | V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 3.47Å | ||
| 240 | V | 47.1 | Very low | 48.3 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | trans | -66.9 | 94.8 | 169.7 | 176.1 | 0 | 0 | 0 | 0 | 106.7 | L216 G238 G242 | L216-V240 HydrophobicContact CB-CG1 4.05Å; L216-V240 HydrophobicContact CD1-CG1 3.6Å; L216-V240 HydrophobicContact CD2-CG1 4.46Å; L216-V240 HydrophobicContact CG-CG1 4.23Å; G238-V240 PolarHBondContact O-N 3.31Å; V240-G242 PolarHBondContact O-N 2.9Å | ||
| 241 | G | 42.4 | Very low | 51.4 | Low | 36 Ų | 36 | 104.9 Ų | 104.9 | 37% | 0.371 | 63% | 0.63 | S | S | . | * | trans | 40.1 | 31.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | V239 G243 | V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 3.47Å; G241-G243 PolarHBondContact O-N 2.91Å | ||
| 242 | G | 42.8 | Very low | 54.2 | Low | 74 Ų | 74 | 101.7 Ų | 101.7 | 76% | 0.763 | 61% | 0.608 | S | S | * | * | trans | -70 | 66 | 162.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | V240 F244 | V240-G242 PolarHBondContact O-N 2.9Å; G242-F244 PolarHBondContact O-N 3.36Å | ||
| 243 | G | 47.6 | Very low | 57.1 | Low | 51 Ų | 51 | 96 Ų | 96 | 53% | 0.526 | 58% | 0.578 | S | S | . | * | trans | -51.9 | 115.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 105 | G241 R245 | G241-G243 PolarHBondContact O-N 2.91Å; G243-R245 PolarHBondContact O-N 3.35Å | ||
| 244 | F | 53.6 | Low | 60 | Low | 182 Ų | 182 | 94 Ų | 94 | 80% | 0.798 | 55% | 0.545 | S | S | * | . | trans | -43.7 | 110.7 | 175.5 | 174.3 | -97.3 | 0 | 0 | 0 | 107 | G242 R246 | G242-F244 PolarHBondContact O-N 3.36Å; F244-R246 WeakPolarHBondContact O-CG 3.09Å; F244-R246 PolarHBondContact O-N 3.49Å | ||
| 245 | R | 59.6 | Low | 62.9 | Low | 175 Ų | 175 | 93.5 Ų | 93.5 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | trans | -58.1 | 106.2 | -174.2 | 176.5 | -178.2 | 174.9 | 173 | 2.1 | 106.8 | G243 K247 | G243-R245 PolarHBondContact O-N 3.35Å; R245-K247 PolarHBondContact O-N 2.93Å; R245-K247 VanDerWaalsContact O-N 3.13Å | ||
| 246 | R | 68.5 | Low | 65.7 | Low | 92 Ų | 92 | 91.5 Ų | 91.5 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | trans | -69.9 | 116.7 | -179.5 | -60.3 | -179.5 | -65.4 | 146.7 | 3.8 | 106.5 | D208 F244 L248 E256 | D208-R246 IonicContact OD1-NH2 3.34Å; D208-R246 PolarHBondContact OD1-NH2 3.48Å; D208-R246 IonicContact OD2-CZ 3.27Å; D208-R246 VanDerWaalsContact OD2-CZ 3.27Å; D208-R246 IonicContact OD2-NE 2.95Å; D208-R246 PolarHBondContact OD2-NE 2.68Å; D208-R246 IonicContact OD2-NH2 2.78Å; D208-R246 PolarHBondContact OD2-NH2 3.02Å; F244-R246 WeakPolarHBondContact O-CG 3.09Å; F244-R246 PolarHBondContact O-N 3.49Å; R246-L248 HydrophobicContact CB-CD1 4.05Å; R246-L248 HydrophobicContact CB-CG 3.82Å; R246-L248 PolarHBondContact O-N 2.78Å; R246-E256 IonicContact CZ-OE1 3.36Å; R246-E256 IonicContact CZ-OE2 2.83Å; R246-E256 IonicContact NH1-OE1 2.73Å; R246-E256 PolarHBondContact NH1-OE1 3.39Å; R246-E256 IonicContact NH1-OE2 3.8Å; R246-E256 IonicContact NH2-OE1 3.13Å; R246-E256 PolarHBondContact NH2-OE1 3.47Å; R246-E256 VanDerWaalsContact NH2-OE1 3.13Å; R246-E256 IonicContact NH2-OE2 3.84Å; R246-E256 PolarHBondContact NH2-OE2 2.89Å | ||
| 247 | K | 74.7 | Confident | 68.4 | Low | 208 Ų | 208 | 84.8 Ų | 84.8 | 90% | 0.904 | 46% | 0.461 | S | S | * | . | trans | -72.5 | 69.1 | 172.1 | -74.1 | -175.2 | 179.5 | 177.3 | 0 | 109.5 | R245 | R245-K247 PolarHBondContact O-N 2.93Å; R245-K247 VanDerWaalsContact O-N 3.13Å | ||
| 248 | L | 83.3 | Confident | 71 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 34% | 0.335 | 42% | 0.42 | S | S | . | . | trans | -89.2 | 154.7 | 175 | -64.8 | 177.2 | 0 | 0 | 0 | 110.5 | R246 T252 L253 | R246-L248 HydrophobicContact CB-CD1 4.05Å; R246-L248 HydrophobicContact CB-CG 3.82Å; R246-L248 PolarHBondContact O-N 2.78Å; L248-T252 HydrophobicContact CB-CG2 4.49Å; L248-T252 HydrophobicContact CD1-CG2 4.24Å; L248-T252 HydrophobicContact CD2-CG2 4.37Å; L248-L253 HydrophobicContact CB-CD2 4.07Å; L248-L253 HydrophobicContact CB-CG 4.04Å; L248-L253 HydrophobicContact CD1-CD2 3.91Å | ||
| 249 | S | 88.2 | Confident | 73.4 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 47% | 0.469 | 40% | 0.401 | S | S | . | . | trans | -63.6 | 147 | 168.9 | 84.8 | 0 | 0 | 0 | 0 | 109.8 | L251 T252 L253 | S249-L251 PolarHBondContact O-N 3.49Å; S249-T252 WeakPolarHBondContact O-CB 3.25Å; S249-T252 PolarHBondContact O-N 2.9Å; S249-T252 PolarHBondContact OG-N 3.06Å; S249-T252 VanDerWaalsContact OG-N 3.11Å; S249-T252 PolarHBondContact OG-OG1 3.45Å; S249-L253 PolarHBondContact O-N 3.14Å; S249-L253 VanDerWaalsContact O-N 3.15Å | ||
| 250 | K | 88 | Confident | 75.4 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -52.4 | -42.8 | 175.8 | -69.1 | -175.2 | 178.5 | -178.3 | 0 | 111.1 | T252 L253 F254 | K250-T252 VanDerWaalsContact C-N 3.3Å; K250-T252 PolarHBondContact O-N 3.3Å; K250-L253 WeakPolarHBondContact O-CB 3.48Å; K250-L253 PolarHBondContact O-N 2.91Å; K250-L253 VanDerWaalsContact O-N 3.13Å; K250-F254 VanDerWaalsContact O-CD2 3.29Å; K250-F254 WeakPolarHBondContact O-CD2 3.14Å; K250-F254 PolarHBondContact O-N 3.33Å |
| 251 | L | 89.1 | Confident | 77.1 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | -179.6 | -175.9 | 58.5 | 0 | 0 | 0 | 112.7 | S249 R255 F263 W266 | S249-L251 PolarHBondContact O-N 3.49Å; L251-R255 VanDerWaalsContact CG-NH1 3.26Å; L251-R255 WeakPolarHBondContact O-CB 3.33Å; L251-R255 WeakPolarHBondContact O-CG 3.34Å; L251-R255 PolarHBondContact O-N 2.96Å; L251-F263 HydrophobicContact CD1-CE1 3.97Å; L251-F263 HydrophobicContact CD1-CZ 3.96Å; L251-W266 HydrophobicContact CD1-CH2 3.99Å |
| 252 | T | 88.3 | Confident | 79.2 | Confident | 55 Ų | 55 | 76 Ų | 76 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 173.7 | -52.8 | 0 | 0 | 0 | 0 | 111 | L248 S249 K250 F254 R255 E256 | L248-T252 HydrophobicContact CB-CG2 4.49Å; L248-T252 HydrophobicContact CD1-CG2 4.24Å; L248-T252 HydrophobicContact CD2-CG2 4.37Å; S249-T252 WeakPolarHBondContact O-CB 3.25Å; S249-T252 PolarHBondContact O-N 2.9Å; S249-T252 PolarHBondContact OG-N 3.06Å; S249-T252 VanDerWaalsContact OG-N 3.11Å; S249-T252 PolarHBondContact OG-OG1 3.45Å; K250-T252 VanDerWaalsContact C-N 3.3Å; K250-T252 PolarHBondContact O-N 3.3Å; T252-F254 PolarHBondContact O-N 3.24Å; T252-R255 WeakPolarHBondContact O-CB 3.28Å; T252-R255 PolarHBondContact O-N 3.29Å; T252-E256 PolarHBondContact O-N 3.4Å |
| 253 | L | 90 | Very high | 81.3 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 178.1 | -65.7 | 167.2 | 0 | 0 | 0 | 111.7 | I205 D208 L248 S249 K250 R255 E256 | I205-L253 HydrophobicContact CG2-CB 4.05Å; I205-L253 WeakPolarHBondContact O-CD1 3.37Å; D208-L253 HydrophobicContact CB-CD2 3.87Å; L248-L253 HydrophobicContact CB-CD2 4.07Å; L248-L253 HydrophobicContact CB-CG 4.04Å; L248-L253 HydrophobicContact CD1-CD2 3.91Å; S249-L253 PolarHBondContact O-N 3.14Å; S249-L253 VanDerWaalsContact O-N 3.15Å; K250-L253 WeakPolarHBondContact O-CB 3.48Å; K250-L253 PolarHBondContact O-N 2.91Å; K250-L253 VanDerWaalsContact O-N 3.13Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.01Å; L253-E256 WeakPolarHBondContact O-CB 3.5Å; L253-E256 PolarHBondContact O-N 2.87Å |
| 254 | F | 90.7 | Very high | 83 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 174.4 | -83.7 | -85 | 0 | 0 | 0 | 112.2 | Y202 I205 V206 K250 T252 E256 V257 F258 W266 | Y202-F254 AromaticContact CD2-CZ 3.77Å; Y202-F254 HydrophobicContact CD2-CZ 3.77Å; Y202-F254 HydrophobicContact CE2-CE2 4.28Å; Y202-F254 AromaticContact CE2-CZ 3.79Å; Y202-F254 HydrophobicContact CE2-CZ 3.79Å; I205-F254 HydrophobicContact CD1-CD1 4.49Å; I205-F254 HydrophobicContact CD1-CE1 4.19Å; I205-F254 HydrophobicContact CG2-CD1 4.27Å; I205-F254 HydrophobicContact CG2-CD2 4.06Å; I205-F254 HydrophobicContact CG2-CE1 4.24Å; I205-F254 HydrophobicContact CG2-CE2 4.03Å; I205-F254 HydrophobicContact CG2-CG 4.16Å; I205-F254 HydrophobicContact CG2-CZ 4.11Å; V206-F254 HydrophobicContact CG2-CE2 4.25Å; K250-F254 VanDerWaalsContact O-CD2 3.29Å; K250-F254 WeakPolarHBondContact O-CD2 3.14Å; K250-F254 PolarHBondContact O-N 3.33Å; T252-F254 PolarHBondContact O-N 3.24Å; F254-E256 VanDerWaalsContact C-N 3.28Å; F254-E256 PolarHBondContact O-N 3.32Å; F254-V257 PolarHBondContact O-N 3.28Å; F254-V257 VanDerWaalsContact O-N 3.11Å; F254-F258 AromaticContact CD1-CD2 3.9Å; F254-F258 HydrophobicContact CD1-CD2 3.9Å; F254-F258 AromaticContact CD1-CE2 3.67Å; F254-F258 HydrophobicContact CD1-CE2 3.67Å; F254-F258 HydrophobicContact CE1-CE2 4.14Å; F254-F258 WeakPolarHBondContact O-CD2 3.3Å; F254-F258 PolarHBondContact O-N 2.93Å; F254-W266 HydrophobicContact CB-CH2 3.6Å; F254-W266 HydrophobicContact CB-CZ2 4.49Å; F254-W266 HydrophobicContact CB-CZ3 3.91Å; F254-W266 HydrophobicContact CD1-CZ3 4.42Å; F254-W266 HydrophobicContact CG-CZ3 4.44Å |
| 255 | R | 90 | Very high | 84.4 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.5 | -29.4 | 175.3 | -80.5 | -180 | 174.7 | 132.1 | 5.4 | 113.6 | L251 T252 L253 V257 G259 N260 W266 | L251-R255 VanDerWaalsContact CG-NH1 3.26Å; L251-R255 WeakPolarHBondContact O-CB 3.33Å; L251-R255 WeakPolarHBondContact O-CG 3.34Å; L251-R255 PolarHBondContact O-N 2.96Å; T252-R255 WeakPolarHBondContact O-CB 3.28Å; T252-R255 PolarHBondContact O-N 3.29Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.01Å; R255-V257 PolarHBondContact O-N 3.38Å; R255-G259 CarbonylContact O-C 3.44Å; R255-G259 WeakPolarHBondContact O-CA 3.36Å; R255-G259 PolarHBondContact O-N 3.02Å; R255-N260 WeakPolarHBondContact CB-OD1 3.29Å; R255-W266 HydrophobicContact CG-CH2 4.45Å; R255-W266 HydrophobicContact CG-CZ2 3.78Å |
| 256 | E | 88.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -25.2 | 173.2 | -72.2 | -174.7 | -178.7 | 0 | 0 | 113.3 | R116 R246 T252 L253 F254 L273 K275 | R116-E256 IonicContact NH1-OE2 3.77Å; R116-E256 PolarHBondContact NH1-OE2 3.02Å; R246-E256 IonicContact CZ-OE1 3.36Å; R246-E256 IonicContact CZ-OE2 2.83Å; R246-E256 IonicContact NH1-OE1 2.73Å; R246-E256 PolarHBondContact NH1-OE1 3.39Å; R246-E256 IonicContact NH1-OE2 3.8Å; R246-E256 IonicContact NH2-OE1 3.13Å; R246-E256 PolarHBondContact NH2-OE1 3.47Å; R246-E256 VanDerWaalsContact NH2-OE1 3.13Å; R246-E256 IonicContact NH2-OE2 3.84Å; R246-E256 PolarHBondContact NH2-OE2 2.89Å; T252-E256 PolarHBondContact O-N 3.4Å; L253-E256 WeakPolarHBondContact O-CB 3.5Å; L253-E256 PolarHBondContact O-N 2.87Å; F254-E256 VanDerWaalsContact C-N 3.28Å; F254-E256 PolarHBondContact O-N 3.32Å; E256-L273 WeakPolarHBondContact O-CD2 3.18Å; E256-K275 WeakPolarHBondContact O-CE 3.27Å; E256-K275 PolarHBondContact O-NZ 2.88Å |
| 257 | V | 89.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -95.5 | -53.9 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | Q133 K134 I137 I205 F254 R255 | Q133-V257 HydrophobicContact CB-CG1 4.36Å; Q133-V257 HydrophobicContact CG-CG1 4.18Å; K134-V257 HydrophobicContact CB-CG1 4.41Å; K134-V257 WeakPolarHBondContact CB-O 3.5Å; I137-V257 HydrophobicContact CD1-CG1 4.04Å; I205-V257 HydrophobicContact CD1-CB 4.42Å; I205-V257 HydrophobicContact CD1-CG1 4.33Å; I205-V257 HydrophobicContact CD1-CG2 4.09Å; I205-V257 HydrophobicContact CG1-CG2 4.04Å; F254-V257 PolarHBondContact O-N 3.28Å; F254-V257 VanDerWaalsContact O-N 3.11Å; R255-V257 PolarHBondContact O-N 3.38Å |
| 258 | F | 90.7 | Very high | 87.2 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -87.7 | -18.3 | -172.2 | -69.8 | -87.5 | 0 | 0 | 0 | 114.4 | K134 I137 Q138 I205 F254 W266 | K134-F258 HydrophobicContact CG-CD1 3.86Å; K134-F258 HydrophobicContact CG-CE1 4.33Å; K134-F258 PolarHBondContact NZ-O 3.34Å; I137-F258 HydrophobicContact CB-CZ 4.06Å; I137-F258 HydrophobicContact CD1-CE2 4.36Å; I137-F258 HydrophobicContact CD1-CZ 4.17Å; I137-F258 HydrophobicContact CG2-CE1 4.37Å; I137-F258 HydrophobicContact CG2-CZ 3.68Å; Q138-F258 HydrophobicContact CG-CE1 4.48Å; I205-F258 HydrophobicContact CD1-CE2 4.36Å; F254-F258 AromaticContact CD1-CD2 3.9Å; F254-F258 HydrophobicContact CD1-CD2 3.9Å; F254-F258 AromaticContact CD1-CE2 3.67Å; F254-F258 HydrophobicContact CD1-CE2 3.67Å; F254-F258 HydrophobicContact CE1-CE2 4.14Å; F254-F258 WeakPolarHBondContact O-CD2 3.3Å; F254-F258 PolarHBondContact O-N 2.93Å; F258-W266 HydrophobicContact CB-CB 4.15Å; F258-W266 HydrophobicContact CB-CD2 3.52Å; F258-W266 HydrophobicContact CB-CE3 4.15Å; F258-W266 HydrophobicContact CB-CG 3.52Å; F258-W266 HydrophobicContact CB-CZ2 4.23Å; F258-W266 HydrophobicContact CD1-CB 3.84Å; F258-W266 HydrophobicContact CD1-CD2 4.44Å; F258-W266 HydrophobicContact CD1-CG 4.14Å; F258-W266 HydrophobicContact CD2-CE3 4.35Å; F258-W266 HydrophobicContact CG-CB 4.23Å; F258-W266 AromaticContact CG-CD2 3.95Å; F258-W266 HydrophobicContact CG-CD2 3.95Å; F258-W266 HydrophobicContact CG-CE3 4.14Å; F258-W266 HydrophobicContact CG-CG 4.02Å |
| 259 | G | 87.1 | Confident | 87.1 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | trans | 99 | 164.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R255 G261 W266 | R255-G259 CarbonylContact O-C 3.44Å; R255-G259 WeakPolarHBondContact O-CA 3.36Å; R255-G259 PolarHBondContact O-N 3.02Å; G259-G261 PolarHBondContact O-N 3.4Å; G259-W266 PolarHBondContact O-NE1 3.38Å | ||
| 260 | N | 84 | Confident | 86.7 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -80.9 | 1.9 | -179.6 | -69 | -33.5 | 0 | 0 | 0 | 114.2 | R255 | R255-N260 WeakPolarHBondContact CB-OD1 3.29Š|
| 261 | G | 83.5 | Confident | 86 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -66.4 | 176 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G259 | G259-G261 PolarHBondContact O-N 3.4Š|
| 262 | P | 85.3 | Confident | 85.1 | Confident | 62 Ų | 62 | 60 Ų | 60 | 40% | 0.403 | 31% | 0.309 | S | S | . | . | trans | -62.1 | 151.9 | 175 | 27.8 | -34.7 | 0 | 0 | 0 | 111 | Y264 S265 | P262-Y264 VanDerWaalsContact C-N 3.25Å; P262-Y264 HydrophobicContact CB-CD1 3.82Å; P262-Y264 HydrophobicContact CB-CE1 3.37Å; P262-Y264 HydrophobicContact CB-CE2 4.34Å; P262-Y264 HydrophobicContact CB-CG 4.49Å; P262-Y264 HydrophobicContact CG-CD1 4.14Å; P262-Y264 HydrophobicContact CG-CD2 4.24Å; P262-Y264 HydrophobicContact CG-CE1 3.49Å; P262-Y264 VanDerWaalsContact CG-CE1 3.49Å; P262-Y264 HydrophobicContact CG-CE2 3.59Å; P262-Y264 HydrophobicContact CG-CG 4.49Å; P262-Y264 VanDerWaalsContact CG-OH 3.31Å; P262-Y264 WeakPolarHBondContact CG-OH 3.31Å; P262-Y264 PolarHBondContact O-N 2.88Å; P262-Y264 VanDerWaalsContact O-N 3.1Å; P262-S265 VanDerWaalsContact O-CB 3.28Å; P262-S265 WeakPolarHBondContact O-CB 3.5Å; P262-S265 PolarHBondContact O-N 2.93Å; P262-S265 PolarHBondContact O-OG 3.4Å | ||
| 263 | F | 86.3 | Confident | 84.3 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57.3 | -31.4 | -172.2 | -73 | -74.1 | 0 | 0 | 0 | 114.6 | L251 S265 W266 | L251-F263 HydrophobicContact CD1-CE1 3.97Å; L251-F263 HydrophobicContact CD1-CZ 3.96Å; F263-S265 PolarHBondContact O-N 3.38Å; F263-W266 HydrophobicContact CD1-CD2 4.03Å; F263-W266 AromaticContact CD1-CE3 3.93Å; F263-W266 HydrophobicContact CD1-CE3 3.93Å; F263-W266 HydrophobicContact CD1-CH2 4.04Å; F263-W266 HydrophobicContact CD1-CZ2 4.13Å; F263-W266 AromaticContact CD1-CZ3 3.93Å; F263-W266 HydrophobicContact CD1-CZ3 3.93Å; F263-W266 HydrophobicContact CE1-CE3 4.35Å; F263-W266 AromaticContact CE1-CH2 3.69Å; F263-W266 HydrophobicContact CE1-CH2 3.69Å; F263-W266 AromaticContact CE1-CZ2 4Å; F263-W266 HydrophobicContact CE1-CZ2 4Å; F263-W266 AromaticContact CE1-CZ3 3.88Å; F263-W266 HydrophobicContact CE1-CZ3 3.88Å; F263-W266 WeakPolarHBondContact O-CB 3.46Å; F263-W266 PolarHBondContact O-N 2.86Å |
| 264 | Y | 83.4 | Confident | 83.7 | Confident | 163 Ų | 163 | 65.9 Ų | 65.9 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.8 | 175.8 | 58.6 | -102.8 | 0 | 0 | 0 | 112.9 | P262 W266 L267 L268 | P262-Y264 VanDerWaalsContact C-N 3.25Å; P262-Y264 HydrophobicContact CB-CD1 3.82Å; P262-Y264 HydrophobicContact CB-CE1 3.37Å; P262-Y264 HydrophobicContact CB-CE2 4.34Å; P262-Y264 HydrophobicContact CB-CG 4.49Å; P262-Y264 HydrophobicContact CG-CD1 4.14Å; P262-Y264 HydrophobicContact CG-CD2 4.24Å; P262-Y264 HydrophobicContact CG-CE1 3.49Å; P262-Y264 VanDerWaalsContact CG-CE1 3.49Å; P262-Y264 HydrophobicContact CG-CE2 3.59Å; P262-Y264 HydrophobicContact CG-CG 4.49Å; P262-Y264 VanDerWaalsContact CG-OH 3.31Å; P262-Y264 WeakPolarHBondContact CG-OH 3.31Å; P262-Y264 PolarHBondContact O-N 2.88Å; P262-Y264 VanDerWaalsContact O-N 3.1Å; Y264-W266 PolarHBondContact O-N 3.07Å; Y264-L267 PolarHBondContact O-N 2.95Å; Y264-L267 VanDerWaalsContact O-N 3.13Å; Y264-L268 PolarHBondContact O-N 3.47Å |
| 265 | S | 83.2 | Confident | 83.3 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -71.1 | -10.4 | 173.9 | 76.1 | 0 | 0 | 0 | 0 | 113.2 | K134 P262 F263 S271 | K134-S265 PolarHBondContact NZ-O 3.48Å; P262-S265 VanDerWaalsContact O-CB 3.28Å; P262-S265 WeakPolarHBondContact O-CB 3.5Å; P262-S265 PolarHBondContact O-N 2.93Å; P262-S265 PolarHBondContact O-OG 3.4Å; F263-S265 PolarHBondContact O-N 3.38Å; S265-S271 PolarHBondContact O-OG 2.95Å |
| 266 | W | 87.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -80.8 | -21.5 | 171.9 | -62.6 | 9.2 | 0 | 0 | 0 | 111.9 | Q138 L251 F254 R255 F258 G259 F263 Y264 | Q138-W266 PolarHBondContact NE2-O 3.05Å; L251-W266 HydrophobicContact CD1-CH2 3.99Å; F254-W266 HydrophobicContact CB-CH2 3.6Å; F254-W266 HydrophobicContact CB-CZ2 4.49Å; F254-W266 HydrophobicContact CB-CZ3 3.91Å; F254-W266 HydrophobicContact CD1-CZ3 4.42Å; F254-W266 HydrophobicContact CG-CZ3 4.44Å; R255-W266 HydrophobicContact CG-CH2 4.45Å; R255-W266 HydrophobicContact CG-CZ2 3.78Å; F258-W266 HydrophobicContact CB-CB 4.15Å; F258-W266 HydrophobicContact CB-CD2 3.52Å; F258-W266 HydrophobicContact CB-CE3 4.15Å; F258-W266 HydrophobicContact CB-CG 3.52Å; F258-W266 HydrophobicContact CB-CZ2 4.23Å; F258-W266 HydrophobicContact CD1-CB 3.84Å; F258-W266 HydrophobicContact CD1-CD2 4.44Å; F258-W266 HydrophobicContact CD1-CG 4.14Å; F258-W266 HydrophobicContact CD2-CE3 4.35Å; F258-W266 HydrophobicContact CG-CB 4.23Å; F258-W266 AromaticContact CG-CD2 3.95Å; F258-W266 HydrophobicContact CG-CD2 3.95Å; F258-W266 HydrophobicContact CG-CE3 4.14Å; F258-W266 HydrophobicContact CG-CG 4.02Å; G259-W266 PolarHBondContact O-NE1 3.38Å; F263-W266 HydrophobicContact CD1-CD2 4.03Å; F263-W266 AromaticContact CD1-CE3 3.93Å; F263-W266 HydrophobicContact CD1-CE3 3.93Å; F263-W266 HydrophobicContact CD1-CH2 4.04Å; F263-W266 HydrophobicContact CD1-CZ2 4.13Å; F263-W266 AromaticContact CD1-CZ3 3.93Å; F263-W266 HydrophobicContact CD1-CZ3 3.93Å; F263-W266 HydrophobicContact CE1-CE3 4.35Å; F263-W266 AromaticContact CE1-CH2 3.69Å; F263-W266 HydrophobicContact CE1-CH2 3.69Å; F263-W266 AromaticContact CE1-CZ2 4Å; F263-W266 HydrophobicContact CE1-CZ2 4Å; F263-W266 AromaticContact CE1-CZ3 3.88Å; F263-W266 HydrophobicContact CE1-CZ3 3.88Å; F263-W266 WeakPolarHBondContact O-CB 3.46Å; F263-W266 PolarHBondContact O-N 2.86Å; Y264-W266 PolarHBondContact O-N 3.07Å |
| 267 | L | 86.7 | Confident | 82.4 | Confident | 100 Ų | 100 | 68 Ų | 68 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -46 | 175.4 | -61 | 177.2 | 0 | 0 | 0 | 110.4 | Q138 Y142 Y264 | Q138-L267 PolarHBondContact NE2-O 2.91Å; Y142-L267 WeakPolarHBondContact CE2-O 3.49Å; Y142-L267 PolarHBondContact OH-O 2.95Å; Y264-L267 PolarHBondContact O-N 2.95Å; Y264-L267 VanDerWaalsContact O-N 3.13Å |
| 268 | L | 87.6 | Confident | 82 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -75.4 | 132.6 | -175.9 | -60.8 | 178.8 | 0 | 0 | 0 | 112.4 | L55 Q138 Y264 C270 | L55-L268 HydrophobicContact CD2-CD2 4.03Å; Q138-L268 PolarHBondContact NE2-O 2.84Å; Q138-L268 VanDerWaalsContact NE2-O 3.08Å; Y264-L268 PolarHBondContact O-N 3.47Å; L268-C270 HydrophobicContact CB-CB 4.5Å; L268-C270 PolarHBondContact O-N 2.82Å |
| 269 | P | 82.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 20.2 | 175 | -10.3 | 25.9 | 0 | 0 | 0 | 114 | F58 Y135 | F58-P269 HydrophobicContact CB-CG 4.32Å; F58-P269 HydrophobicContact CD1-CB 3.51Å; F58-P269 HydrophobicContact CD1-CG 3.32Å; F58-P269 HydrophobicContact CE1-CB 3.52Å; F58-P269 HydrophobicContact CE1-CG 3.79Å; F58-P269 HydrophobicContact CG-CB 4.12Å; F58-P269 HydrophobicContact CG-CG 4.02Å; F58-P269 HydrophobicContact CZ-CB 4.17Å; Y135-P269 HydrophobicContact CD1-CB 4.1Å; Y135-P269 HydrophobicContact CE1-CB 4.24Å; Y135-P269 WeakPolarHBondContact CE1-O 3.38Å |
| 270 | C | 79.1 | Confident | 81.4 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 62% | 0.622 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.6 | -171.6 | -55.7 | 0 | 0 | 0 | 0 | 114.1 | L268 | L268-C270 HydrophobicContact CB-CB 4.5Å; L268-C270 PolarHBondContact O-N 2.82Å |
| 271 | S | 72.7 | Confident | 81.1 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 32% | 0.315 | 36% | 0.363 | S | S | . | . | trans | -99.8 | 108.7 | -176.1 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | K134 Y135 S265 | K134-S271 PolarHBondContact NZ-O 3.43Å; K134-S271 PolarHBondContact NZ-OG 3.36Å; Y135-S271 PolarHBondContact OH-O 3.26Å; S265-S271 PolarHBondContact O-OG 2.95Å | ||
| 272 | Y | 70.9 | Confident | 80.8 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 45% | 0.451 | 37% | 0.366 | S | S | . | . | trans | -76.9 | 127.7 | 169.8 | 178.4 | -111.4 | 0 | 0 | 0 | 110.6 | T66 Y135 F274 | T66-Y272 HydrophobicContact CG2-CD2 4.11Å; T66-Y272 HydrophobicContact CG2-CE2 3.66Å; Y135-Y272 HydrophobicContact CE2-CD2 4.44Å; Y135-Y272 WeakPolarHBondContact OH-CA 3.06Å; Y135-Y272 PolarHBondContact OH-N 2.88Å; Y272-F274 HydrophobicContact CD1-CB 4.14Å; Y272-F274 HydrophobicContact CE1-CB 3.73Å; Y272-F274 AromaticContact CE1-CD2 3.98Å; Y272-F274 HydrophobicContact CE1-CD2 3.98Å; Y272-F274 HydrophobicContact CE1-CG 4.37Å; Y272-F274 PolarHBondContact O-N 3.46Å | ||
| 273 | L | 71.5 | Confident | 80.4 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | trans | -95.8 | 91.5 | 176.6 | -169.6 | 84.3 | 0 | 0 | 0 | 109 | E256 K275 | E256-L273 WeakPolarHBondContact O-CD2 3.18Å; L273-K275 HydrophobicContact CD2-CD 4.34Å; L273-K275 HydrophobicContact CD2-CG 4.27Å; L273-K275 HydrophobicContact CG-CG 4.44Å; L273-K275 PolarHBondContact O-N 3.34Å | ||
| 274 | F | 78 | Confident | 79.8 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 62% | 0.623 | 34% | 0.342 | S | S | * | . | trans | -67.7 | 122 | 173.9 | -179.5 | -106.3 | 0 | 0 | 0 | 110.3 | Y272 P276 | Y272-F274 HydrophobicContact CD1-CB 4.14Å; Y272-F274 HydrophobicContact CE1-CB 3.73Å; Y272-F274 AromaticContact CE1-CD2 3.98Å; Y272-F274 HydrophobicContact CE1-CD2 3.98Å; Y272-F274 HydrophobicContact CE1-CG 4.37Å; Y272-F274 PolarHBondContact O-N 3.46Å; F274-P276 HydrophobicContact CE1-CB 4.04Å; F274-P276 HydrophobicContact CZ-CB 4.48Å | ||
| 275 | K | 81.1 | Confident | 79.4 | Confident | 33 Ų | 33 | 61 Ų | 61 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | trans | -116.2 | 112 | 172.7 | -67.9 | -168.9 | 177 | -178.8 | 0 | 109.8 | R115 E130 E256 L273 | R115-K275 PolarHBondContact NH2-O 2.94Å; E130-K275 HydrophobicContact CG-CD 3.64Å; E130-K275 VanDerWaalsContact CG-NZ 3.28Å; E130-K275 WeakPolarHBondContact OE1-CD 3.43Å; E130-K275 WeakPolarHBondContact OE1-CE 3.32Å; E130-K275 IonicContact OE1-NZ 3.98Å; E130-K275 PolarHBondContact OE1-NZ 2.97Å; E256-K275 WeakPolarHBondContact O-CE 3.27Å; E256-K275 PolarHBondContact O-NZ 2.88Å; L273-K275 HydrophobicContact CD2-CD 4.34Å; L273-K275 HydrophobicContact CD2-CG 4.27Å; L273-K275 HydrophobicContact CG-CG 4.44Å; L273-K275 PolarHBondContact O-N 3.34Å | ||
| 276 | P | 80.5 | Confident | 79 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 59% | 0.591 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 156.4 | -176.1 | 26.8 | -34.4 | 0 | 0 | 0 | 111.5 | F274 | F274-P276 HydrophobicContact CE1-CB 4.04Å; F274-P276 HydrophobicContact CZ-CB 4.48Å |
| 277 | Y | 80.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 35% | 0.349 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65 | 150.5 | 174.3 | -68.4 | -66.4 | 0 | 0 | 0 | 111.4 | L70 K279 | L70-Y277 VanDerWaalsContact O-CE1 3.23Å; L70-Y277 WeakPolarHBondContact O-CE1 3.28Å; L70-Y277 PolarHBondContact O-OH 3.32Å; Y277-K279 PolarHBondContact O-N 2.88Å |
| 278 | P | 81.2 | Confident | 77.4 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 139.2 | 169 | -27.9 | 33.6 | 0 | 0 | 0 | 111.5 | W90 P101 Y280 Y281 | W90-P278 HydrophobicContact CH2-CB 3.7Å; W90-P278 HydrophobicContact CH2-CG 4.07Å; W90-P278 HydrophobicContact CZ2-CB 4.05Å; P101-P278 HydrophobicContact CB-CG 4.33Å; P101-P278 HydrophobicContact CG-CG 4.38Å; P278-Y280 PolarHBondContact O-N 2.89Å; P278-Y281 HydrophobicContact CB-CD2 4.09Å; P278-Y281 HydrophobicContact CB-CE2 4.41Å; P278-Y281 HydrophobicContact CG-CD2 4.11Å; P278-Y281 HydrophobicContact CG-CE2 4.13Å; P278-Y281 PolarHBondContact O-N 2.84Å |
| 279 | K | 81.6 | Confident | 76.7 | Confident | 183 Ų | 183 | 62.6 Ų | 62.6 | 80% | 0.796 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -51.9 | -29.6 | 179.8 | -72.5 | -175 | 178 | 179.8 | 0 | 113.1 | Y277 Y281 T282 A283 | Y277-K279 PolarHBondContact O-N 2.88Å; K279-Y281 VanDerWaalsContact C-N 3.33Å; K279-Y281 PolarHBondContact O-N 3.47Å; K279-T282 VanDerWaalsContact CA-OG1 3.32Å; K279-T282 WeakPolarHBondContact CA-OG1 3.25Å; K279-T282 PolarHBondContact O-N 2.69Å; K279-T282 PolarHBondContact O-OG1 2.89Å; K279-A283 VanDerWaalsContact O-CB 3.26Å; K279-A283 WeakPolarHBondContact O-CB 3.49Å; K279-A283 PolarHBondContact O-N 3.36Å |
| 280 | Y | 82.4 | Confident | 76.2 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 13% | 0.125 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -48.8 | -51.3 | 172.2 | 177.5 | -95.4 | 0 | 0 | 0 | 112.4 | L81 V84 P87 W90 H99 P278 L284 | L81-Y280 VanDerWaalsContact CD1-OH 3.31Å; L81-Y280 WeakPolarHBondContact CD1-OH 3.36Å; V84-Y280 HydrophobicContact CG1-CE2 3.68Å; P87-Y280 HydrophobicContact CG-CD2 3.43Å; P87-Y280 VanDerWaalsContact CG-CD2 3.43Å; P87-Y280 HydrophobicContact CG-CE2 3.82Å; P87-Y280 HydrophobicContact CG-CG 4.13Å; W90-Y280 HydrophobicContact CE3-CD1 4.43Å; W90-Y280 AromaticContact CH2-CD1 3.97Å; W90-Y280 HydrophobicContact CH2-CD1 3.97Å; W90-Y280 AromaticContact CH2-CG 3.95Å; W90-Y280 HydrophobicContact CH2-CG 3.95Å; W90-Y280 AromaticContact CZ3-CD1 3.63Å; W90-Y280 HydrophobicContact CZ3-CD1 3.63Å; W90-Y280 HydrophobicContact CZ3-CE1 4.31Å; W90-Y280 AromaticContact CZ3-CG 3.96Å; W90-Y280 HydrophobicContact CZ3-CG 3.96Å; H99-Y280 PolarHBondContact CD2-OH 3.47Å; P278-Y280 PolarHBondContact O-N 2.89Å; Y280-L284 HydrophobicContact CE1-CD2 4.03Å; Y280-L284 WeakPolarHBondContact O-CB 3.43Å; Y280-L284 PolarHBondContact O-N 3.44Å |
| 281 | Y | 78.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.1 | -31.7 | -178.2 | -62.4 | -69.5 | 0 | 0 | 0 | 112.9 | I71 P72 Y76 W90 H99 P101 P278 K279 S285 | I71-Y281 HydrophobicContact CG2-CD1 4.35Å; I71-Y281 HydrophobicContact CG2-CE1 3.63Å; I71-Y281 HydrophobicContact CG2-CE2 3.83Å; I71-Y281 VanDerWaalsContact CG2-OH 3.27Å; I71-Y281 WeakPolarHBondContact CG2-OH 3.37Å; P72-Y281 HydrophobicContact CG-CG 4.45Å; Y76-Y281 HydrophobicContact CE2-CD1 4.28Å; Y76-Y281 PolarHBondContact OH-O 3.21Å; W90-Y281 HydrophobicContact CH2-CD2 4.5Å; W90-Y281 AromaticContact CH2-CE2 3.93Å; W90-Y281 HydrophobicContact CH2-CE2 3.93Å; W90-Y281 AromaticContact CZ3-CE2 3.79Å; W90-Y281 HydrophobicContact CZ3-CE2 3.79Å; W90-Y281 AromaticContact CZ3-CZ 3.79Å; H99-Y281 PolarHBondContact O-OH 2.88Å; P101-Y281 VanDerWaalsContact CD-OH 3.31Å; P101-Y281 WeakPolarHBondContact CD-OH 3.37Å; P278-Y281 HydrophobicContact CB-CD2 4.09Å; P278-Y281 HydrophobicContact CB-CE2 4.41Å; P278-Y281 HydrophobicContact CG-CD2 4.11Å; P278-Y281 HydrophobicContact CG-CE2 4.13Å; P278-Y281 PolarHBondContact O-N 2.84Å; K279-Y281 VanDerWaalsContact C-N 3.33Å; K279-Y281 PolarHBondContact O-N 3.47Å; Y281-S285 VanDerWaalsContact O-CB 3.3Å; Y281-S285 WeakPolarHBondContact O-CB 3.43Å; Y281-S285 PolarHBondContact O-N 3.5Å |
| 282 | T | 77.1 | Confident | 75.7 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 175.5 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | K279 N286 | K279-T282 VanDerWaalsContact CA-OG1 3.32Å; K279-T282 WeakPolarHBondContact CA-OG1 3.25Å; K279-T282 PolarHBondContact O-N 2.69Å; K279-T282 PolarHBondContact O-OG1 2.89Å; T282-N286 VanDerWaalsContact O-CG 3.23Å; T282-N286 PolarHBondContact O-N 3.33Å; T282-N286 VanDerWaalsContact O-N 3.07Å; T282-N286 PolarHBondContact O-ND2 2.71Å; T282-N286 PolarHBondContact O-OD1 3.49Å |
| 283 | A | 76.4 | Confident | 75.7 | Confident | 49 Ų | 49 | 71 Ų | 71 | 41% | 0.405 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K279 S285 N286 T287 | K279-A283 VanDerWaalsContact O-CB 3.26Å; K279-A283 WeakPolarHBondContact O-CB 3.49Å; K279-A283 PolarHBondContact O-N 3.36Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 2.95Å; A283-N286 PolarHBondContact O-N 2.92Å; A283-N286 VanDerWaalsContact O-N 3.08Å; A283-T287 PolarHBondContact O-N 2.9Å; A283-T287 PolarHBondContact O-OG1 3.26Å; A283-T287 VanDerWaalsContact O-OG1 3.1Å |
| 284 | L | 74.7 | Confident | 75.6 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.7 | -175.2 | 66 | 0 | 0 | 0 | 111.8 | Y76 L81 V84 Y280 N286 I288 | Y76-L284 HydrophobicContact CD1-CD1 4.38Å; Y76-L284 HydrophobicContact CD1-CD2 3.49Å; Y76-L284 VanDerWaalsContact CD1-CD2 3.49Å; Y76-L284 HydrophobicContact CD1-CG 3.61Å; Y76-L284 HydrophobicContact CD2-CD2 3.85Å; Y76-L284 HydrophobicContact CE1-CB 4.06Å; Y76-L284 HydrophobicContact CE1-CD1 4.42Å; Y76-L284 HydrophobicContact CE1-CD2 3.37Å; Y76-L284 HydrophobicContact CE1-CG 3.28Å; Y76-L284 HydrophobicContact CE2-CD2 3.71Å; Y76-L284 HydrophobicContact CE2-CG 4.49Å; Y76-L284 HydrophobicContact CG-CD2 3.74Å; Y76-L284 HydrophobicContact CG-CG 4.36Å; Y76-L284 VanDerWaalsContact CZ-CD2 3.45Å; L81-L284 HydrophobicContact CD1-CD2 3.64Å; V84-L284 HydrophobicContact CB-CD1 3.92Å; V84-L284 HydrophobicContact CG1-CD1 4.16Å; V84-L284 HydrophobicContact CG2-CD1 3.4Å; V84-L284 VanDerWaalsContact CG2-CD1 3.4Å; Y280-L284 HydrophobicContact CE1-CD2 4.03Å; Y280-L284 WeakPolarHBondContact O-CB 3.43Å; Y280-L284 PolarHBondContact O-N 3.44Å; L284-N286 VanDerWaalsContact C-N 3.34Å; L284-N286 PolarHBondContact O-N 3.34Å; L284-I288 HydrophobicContact CD1-CD1 4.03Å; L284-I288 HydrophobicContact CG-CD1 4.1Å; L284-I288 WeakPolarHBondContact O-CB 3.22Å; L284-I288 WeakPolarHBondContact O-CD1 3.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.41Å; L284-I288 PolarHBondContact O-N 3.25Å; L284-I288 VanDerWaalsContact O-N 3.15Å |
| 285 | S | 75.2 | Confident | 75.3 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 112 | Y281 A283 N289 | Y281-S285 VanDerWaalsContact O-CB 3.3Å; Y281-S285 WeakPolarHBondContact O-CB 3.43Å; Y281-S285 PolarHBondContact O-N 3.5Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 2.95Å; S285-N289 WeakPolarHBondContact O-CB 3.41Å; S285-N289 PolarHBondContact O-N 3.41Å; S285-N289 PolarHBondContact O-ND2 3.26Å; S285-N289 VanDerWaalsContact O-ND2 3.12Å |
| 286 | N | 74.1 | Confident | 74.7 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 179.5 | -69.2 | -13.1 | 0 | 0 | 0 | 111.9 | T282 A283 L284 I288 N289 D290 | T282-N286 VanDerWaalsContact O-CG 3.23Å; T282-N286 PolarHBondContact O-N 3.33Å; T282-N286 VanDerWaalsContact O-N 3.07Å; T282-N286 PolarHBondContact O-ND2 2.71Å; T282-N286 PolarHBondContact O-OD1 3.49Å; A283-N286 PolarHBondContact O-N 2.92Å; A283-N286 VanDerWaalsContact O-N 3.08Å; L284-N286 VanDerWaalsContact C-N 3.34Å; L284-N286 PolarHBondContact O-N 3.34Å; N286-I288 PolarHBondContact O-N 2.94Å; N286-I288 VanDerWaalsContact O-N 3.15Å; N286-N289 PolarHBondContact O-N 2.81Å; N286-D290 PolarHBondContact O-N 3.35Å |
| 287 | T | 71.1 | Confident | 74.2 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.4 | -37.8 | 177.9 | -57 | 0 | 0 | 0 | 0 | 111.7 | A283 D290 V291 | A283-T287 PolarHBondContact O-N 2.9Å; A283-T287 PolarHBondContact O-OG1 3.26Å; A283-T287 VanDerWaalsContact O-OG1 3.1Å; T287-D290 PolarHBondContact O-N 2.87Å; T287-V291 WeakPolarHBondContact O-CG2 3.23Å; T287-V291 PolarHBondContact O-N 2.86Å; T287-V291 VanDerWaalsContact O-N 3.14Å |
| 288 | I | 68.5 | Low | 73.5 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.046 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.4 | -36.1 | 179.9 | -72 | 168.8 | 0 | 0 | 0 | 112.4 | Y76 Q80 L284 N286 D290 V291 N292 | Y76-I288 HydrophobicContact CD1-CD1 3.24Å; Y76-I288 HydrophobicContact CE1-CD1 3.63Å; Y76-I288 HydrophobicContact CG-CD1 4.43Å; Q80-I288 HydrophobicContact CB-CD1 3.93Å; Q80-I288 HydrophobicContact CB-CG1 4.47Å; Q80-I288 HydrophobicContact CG-CD1 4.11Å; Q80-I288 HydrophobicContact CG-CG1 4.21Å; L284-I288 HydrophobicContact CD1-CD1 4.03Å; L284-I288 HydrophobicContact CG-CD1 4.1Å; L284-I288 WeakPolarHBondContact O-CB 3.22Å; L284-I288 WeakPolarHBondContact O-CD1 3.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.41Å; L284-I288 PolarHBondContact O-N 3.25Å; L284-I288 VanDerWaalsContact O-N 3.15Å; N286-I288 PolarHBondContact O-N 2.94Å; N286-I288 VanDerWaalsContact O-N 3.15Å; I288-D290 PolarHBondContact O-N 2.9Å; I288-V291 PolarHBondContact O-N 2.71Å; I288-N292 WeakPolarHBondContact O-CB 3.47Å; I288-N292 PolarHBondContact O-N 2.97Å; I288-N292 PolarHBondContact O-ND2 2.98Å |
| 289 | N | 73.5 | Confident | 72.8 | Confident | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 172.3 | -70 | -27 | 0 | 0 | 0 | 111 | S285 N286 N292 Y293 | S285-N289 WeakPolarHBondContact O-CB 3.41Å; S285-N289 PolarHBondContact O-N 3.41Å; S285-N289 PolarHBondContact O-ND2 3.26Å; S285-N289 VanDerWaalsContact O-ND2 3.12Å; N286-N289 PolarHBondContact O-N 2.81Å; N289-N292 PolarHBondContact O-N 3.32Å; N289-Y293 VanDerWaalsContact O-CB 3.25Å; N289-Y293 WeakPolarHBondContact O-CB 3.07Å; N289-Y293 PolarHBondContact O-N 3.5Å |
| 290 | D | 70.8 | Confident | 72 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 175.3 | -62.3 | -30.4 | 0 | 0 | 0 | 112.2 | N286 T287 I288 Y293 S294 | N286-D290 PolarHBondContact O-N 3.35Å; T287-D290 PolarHBondContact O-N 2.87Å; I288-D290 PolarHBondContact O-N 2.9Å; D290-Y293 PolarHBondContact O-N 3.09Å; D290-S294 WeakPolarHBondContact O-CB 3.37Å; D290-S294 PolarHBondContact O-N 2.91Å; D290-S294 PolarHBondContact O-OG 3.47Å |
| 291 | V | 70 | Confident | 71 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.418 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | T287 I288 Y293 S294 V295 | T287-V291 WeakPolarHBondContact O-CG2 3.23Å; T287-V291 PolarHBondContact O-N 2.86Å; T287-V291 VanDerWaalsContact O-N 3.14Å; I288-V291 PolarHBondContact O-N 2.71Å; V291-Y293 VanDerWaalsContact C-N 3.34Å; V291-Y293 PolarHBondContact O-N 3.45Å; V291-S294 WeakPolarHBondContact CA-OG 2.99Å; V291-S294 PolarHBondContact O-N 3.36Å; V291-S294 PolarHBondContact O-OG 3.15Å; V291-V295 VanDerWaalsContact O-CG2 3.27Å; V291-V295 WeakPolarHBondContact O-CG2 3.26Å; V291-V295 PolarHBondContact O-N 3.41Å |
| 292 | N | 71.4 | Confident | 69.9 | Low | 76 Ų | 76 | 75.6 Ų | 75.6 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 178.7 | -70.5 | -23.3 | 0 | 0 | 0 | 111.8 | I288 N289 N296 | I288-N292 WeakPolarHBondContact O-CB 3.47Å; I288-N292 PolarHBondContact O-N 2.97Å; I288-N292 PolarHBondContact O-ND2 2.98Å; N289-N292 PolarHBondContact O-N 3.32Å; N292-N296 WeakPolarHBondContact O-CB 3.36Å; N292-N296 VanDerWaalsContact O-CG 3.23Å; N292-N296 PolarHBondContact O-N 2.9Å; N292-N296 PolarHBondContact O-ND2 3.29Å |
| 293 | Y | 72 | Confident | 68.8 | Low | 175 Ų | 175 | 77.5 Ų | 77.5 | 69% | 0.686 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 176.1 | -176.9 | -98.1 | 0 | 0 | 0 | 111.7 | N289 D290 V291 N296 S297 | N289-Y293 VanDerWaalsContact O-CB 3.25Å; N289-Y293 WeakPolarHBondContact O-CB 3.07Å; N289-Y293 PolarHBondContact O-N 3.5Å; D290-Y293 PolarHBondContact O-N 3.09Å; V291-Y293 VanDerWaalsContact C-N 3.34Å; V291-Y293 PolarHBondContact O-N 3.45Å; Y293-N296 PolarHBondContact O-N 2.97Å; Y293-S297 VanDerWaalsContact O-CB 3.32Å; Y293-S297 WeakPolarHBondContact O-CB 3.46Å; Y293-S297 PolarHBondContact O-N 3.49Å |
| 294 | S | 70 | Confident | 67.7 | Low | 62 Ų | 62 | 81.9 Ų | 81.9 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.7 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | D290 V291 S297 C298 | D290-S294 WeakPolarHBondContact O-CB 3.37Å; D290-S294 PolarHBondContact O-N 2.91Å; D290-S294 PolarHBondContact O-OG 3.47Å; V291-S294 WeakPolarHBondContact CA-OG 2.99Å; V291-S294 PolarHBondContact O-N 3.36Å; V291-S294 PolarHBondContact O-OG 3.15Å; S294-S297 PolarHBondContact O-N 3.19Å; S294-C298 WeakPolarHBondContact O-CB 3.38Å; S294-C298 PolarHBondContact O-N 2.8Å; S294-C298 PolarHBondContact O-SG 3.02Å |
| 295 | V | 71 | Confident | 66.5 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | V291 C298 N299 | V291-V295 VanDerWaalsContact O-CG2 3.27Å; V291-V295 WeakPolarHBondContact O-CG2 3.26Å; V291-V295 PolarHBondContact O-N 3.41Å; V295-C298 PolarHBondContact O-N 3.17Å; V295-N299 PolarHBondContact O-N 3.23Å |
| 296 | N | 69.1 | Low | 64.9 | Low | 97 Ų | 97 | 91 Ų | 91 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 179.4 | -73.7 | -20.2 | 0 | 0 | 0 | 112.6 | N292 Y293 N299 N300 | N292-N296 WeakPolarHBondContact O-CB 3.36Å; N292-N296 VanDerWaalsContact O-CG 3.23Å; N292-N296 PolarHBondContact O-N 2.9Å; N292-N296 PolarHBondContact O-ND2 3.29Å; Y293-N296 PolarHBondContact O-N 2.97Å; N296-N299 PolarHBondContact O-N 2.96Å; N296-N300 PolarHBondContact O-N 2.84Å |
| 297 | S | 69.8 | Low | 63 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | Y293 S294 N299 N300 N301 | Y293-S297 VanDerWaalsContact O-CB 3.32Å; Y293-S297 WeakPolarHBondContact O-CB 3.46Å; Y293-S297 PolarHBondContact O-N 3.49Å; S294-S297 PolarHBondContact O-N 3.19Å; S297-N299 VanDerWaalsContact C-N 3.35Å; S297-N299 PolarHBondContact O-N 2.91Å; S297-N300 PolarHBondContact O-N 3.38Å; S297-N301 WeakPolarHBondContact O-CB 3.36Å; S297-N301 PolarHBondContact O-N 3.37Å; S297-N301 PolarHBondContact O-ND2 3.32Å |
| 298 | C | 64.3 | Low | 61.1 | Low | 74 Ų | 74 | 95.3 Ų | 95.3 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 172.6 | -73.6 | 0 | 0 | 0 | 0 | 112.2 | S294 V295 N302 | S294-C298 WeakPolarHBondContact O-CB 3.38Å; S294-C298 PolarHBondContact O-N 2.8Å; S294-C298 PolarHBondContact O-SG 3.02Å; V295-C298 PolarHBondContact O-N 3.17Å; C298-N302 VanDerWaalsContact O-CG 3.28Å; C298-N302 PolarHBondContact O-N 3.37Å; C298-N302 VanDerWaalsContact O-N 3.16Å; C298-N302 PolarHBondContact O-ND2 3.13Å |
| 299 | N | 66.6 | Low | 59.4 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 45% | 0.449 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -39 | 178.4 | -77.4 | -12.5 | 0 | 0 | 0 | 113.1 | V295 N296 S297 N302 N303 | V295-N299 PolarHBondContact O-N 3.23Å; N296-N299 PolarHBondContact O-N 2.96Å; S297-N299 VanDerWaalsContact C-N 3.35Å; S297-N299 PolarHBondContact O-N 2.91Å; N299-N302 PolarHBondContact O-N 2.99Å; N299-N303 PolarHBondContact O-N 3.13Å |
| 300 | N | 66.2 | Low | 57.3 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 175.6 | -86.5 | -2 | 0 | 0 | 0 | 111.8 | N296 S297 N302 N303 D304 | N296-N300 PolarHBondContact O-N 2.84Å; S297-N300 PolarHBondContact O-N 3.38Å; N300-N302 PolarHBondContact O-N 3.04Å; N300-N303 PolarHBondContact O-N 3.04Å; N300-D304 PolarHBondContact O-N 3.48Å |
| 301 | N | 60 | Low | 55.2 | Low | 105 Ų | 105 | 108 Ų | 108 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -30.7 | 176.2 | -70 | -10.8 | 0 | 0 | 0 | 112.2 | S297 | S297-N301 WeakPolarHBondContact O-CB 3.36Å; S297-N301 PolarHBondContact O-N 3.37Å; S297-N301 PolarHBondContact O-ND2 3.32Å |
| 302 | N | 56.4 | Low | 53.3 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.9 | -33.3 | 174.5 | -71.3 | -21.7 | 0 | 0 | 0 | 112.4 | C298 N299 N300 S305 | C298-N302 VanDerWaalsContact O-CG 3.28Å; C298-N302 PolarHBondContact O-N 3.37Å; C298-N302 VanDerWaalsContact O-N 3.16Å; C298-N302 PolarHBondContact O-ND2 3.13Å; N299-N302 PolarHBondContact O-N 2.99Å; N300-N302 PolarHBondContact O-N 3.04Å; N302-S305 PolarHBondContact O-N 3.17Å; N302-S305 PolarHBondContact O-OG 3.43Å |
| 303 | N | 54.5 | Low | 51.1 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 57% | 0.572 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.9 | -30.9 | 179.9 | -73.7 | -21.6 | 0 | 0 | 0 | 113.4 | N299 N300 S305 N306 | N299-N303 PolarHBondContact O-N 3.13Å; N300-N303 PolarHBondContact O-N 3.04Å; N303-S305 PolarHBondContact O-N 3.49Å; N303-N306 PolarHBondContact O-N 3.13Å |
| 304 | D | 53 | Low | 49 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -9.8 | 177.2 | -71.4 | -22 | 0 | 0 | 0 | 113.1 | N300 N306 | N300-D304 PolarHBondContact O-N 3.48Å; D304-N306 VanDerWaalsContact C-N 3.29Å; D304-N306 PolarHBondContact O-N 3.43Å |
| 305 | S | 49.6 | Very low | 47 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | 2.6 | 176.6 | 68 | 0 | 0 | 0 | 0 | 115 | N302 N303 L307 | N302-S305 PolarHBondContact O-N 3.17Å; N302-S305 PolarHBondContact O-OG 3.43Å; N303-S305 PolarHBondContact O-N 3.49Å; S305-L307 PolarHBondContact O-N 3.18Å |
| 306 | N | 41.7 | Very low | 44.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | trans | -76.8 | 75.1 | 166.5 | -77.1 | -42 | 0 | 0 | 0 | 110.6 | N303 D304 | N303-N306 PolarHBondContact O-N 3.13Å; D304-N306 VanDerWaalsContact C-N 3.29Å; D304-N306 PolarHBondContact O-N 3.43Å | ||
| 307 | L | 32.6 | Very low | 42.9 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 142.5 | 164.5 | -94.6 | 107.8 | 0 | 0 | 0 | 110.4 | S305 I309 | S305-L307 PolarHBondContact O-N 3.18Å; L307-I309 PolarHBondContact O-N 2.95Å; L307-I309 VanDerWaalsContact O-N 3.11Å |
| 308 | P | 31.9 | Very low | 40.8 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118.3 | 177.1 | -2.6 | 14.2 | 0 | 0 | 0 | 109.2 | N310 | P308-N310 PolarHBondContact O-N 2.79Š|
| 309 | I | 33.9 | Very low | 38.9 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.6 | 175 | -71 | 173.1 | 0 | 0 | 0 | 108.9 | L307 | L307-I309 PolarHBondContact O-N 2.95Å; L307-I309 VanDerWaalsContact O-N 3.11Å |
| 310 | N | 29.5 | Very low | 37.1 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142 | -167 | -144.1 | -13.5 | 0 | 0 | 0 | 113.1 | P308 H312 | P308-N310 PolarHBondContact O-N 2.79Å; N310-H312 PolarHBondContact O-N 3.47Å |
| 311 | Q | 25.2 | Very low | 35.1 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118.6 | -178.5 | -66.1 | 168.6 | -19.9 | 0 | 0 | 111.1 | ||
| 312 | H | 29.7 | Very low | 33.6 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | -106.4 | 108.9 | 157.9 | -92.6 | -72 | 0 | 0 | 0 | 109.9 | N310 H314 | N310-H312 PolarHBondContact O-N 3.47Å; H312-H314 PolarHBondContact O-N 3.3Å | ||
| 313 | H | 26.4 | Very low | 32.2 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 70% | 0.704 | 78% | 0.776 | S | S | * | * | trans | -60.7 | 116.8 | 175.3 | -75.5 | -82.7 | 0 | 0 | 0 | 111.8 | ||||
| 314 | H | 27.4 | Very low | 30.8 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -135.5 | 121.7 | 148.5 | -92.6 | -72 | 0 | 0 | 0 | 109.2 | H312 | H312-H314 PolarHBondContact O-N 3.3Š| ||
| 315 | H | 27.3 | Very low | 29.5 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 169.7 | -177.2 | -115.3 | -52.8 | 0 | 0 | 0 | 111.5 | ||||
| 316 | P | 27.9 | Very low | 28.5 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | -117.9 | 155 | -118.8 | 36.2 | -19.2 | 0 | 0 | 0 | 114.2 | |||||
| 317 | H | 27.7 | Very low | 27.8 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -125.9 | 120.5 | 164.2 | -92.7 | -79.2 | 0 | 0 | 0 | 111.2 | ||||
| 318 | G | 24.8 | Very low | 27.5 | Very low | 69 Ų | 69 | 151.9 Ų | 151.9 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 41.9 | 102.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 319 | I | 24 | Very low | 27.2 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | 35.7 | 111.8 | 128 | -50.6 | 168.2 | 0 | 0 | 0 | 117.9 | |||||
| 320 | D | 30 | Very low | 26.9 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | -165.5 | 139.7 | 118.1 | -103.3 | -28 | 0 | 0 | 0 | 113.4 | |||||
| 321 | K | 24 | Very low | 26.7 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | trans | -81.9 | 133.6 | -175.7 | -68.4 | 172.7 | 174.8 | 175.5 | 0 | 111.1 | ||||
| 322 | K | 27.4 | Very low | 26.8 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -160.6 | 114.7 | 148.9 | -112.1 | 166.6 | -170.9 | 178.6 | 0 | 113.8 | ||||
| 323 | S | 26.9 | Very low | 26.6 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | 23.8 | 120.8 | 148.9 | 57 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 324 | T | 25.4 | Very low | 26.7 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -57.8 | 135 | 166.2 | 40.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 325 | S | 26.5 | Very low | 26.6 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -123.6 | 126 | 158 | 72.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 326 | T | 28.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 128.5 | 175.7 | 37.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 327 | T | 27.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 119.8 | 178.7 | 41.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 328 | N | 26.3 | Very low | 26.2 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 127 | 170.4 | -85.2 | -21.4 | 0 | 0 | 0 | 110.1 | ||
| 329 | I | 24.8 | Very low | 26.3 | Very low | 171 Ų | 171 | 143 Ų | 143 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -93.5 | 114.2 | 176 | -62.7 | 170.3 | 0 | 0 | 0 | 107.9 | ||||
| 330 | S | 27.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 131 | 171.5 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 331 | S | 25.7 | Very low | 26.6 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 122.1 | 179.1 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 332 | S | 27.5 | Very low | 26.8 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 125.3 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 333 | S | 26.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 146.7 | 167.7 | 28.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 334 | P | 26.6 | Very low | 27 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.6 | -172.9 | 30.1 | -27.4 | 0 | 0 | 0 | 111.9 | ||
| 335 | I | 25.4 | Very low | 27.1 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 117.7 | 173.5 | -66.1 | 169.9 | 0 | 0 | 0 | 108.1 | T337 | I335-T337 HydrophobicContact CG2-CG2 4.44Š|
| 336 | V | 24.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 109.3 | 171.7 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 337 | T | 25.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 131.8 | 172.3 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | I335 | I335-T337 HydrophobicContact CG2-CG2 4.44Š| ||
| 338 | I | 26.1 | Very low | 27.6 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -93.9 | 109.4 | 179.8 | -61.2 | 170.5 | 0 | 0 | 0 | 107.4 | ||||
| 339 | E | 26.5 | Very low | 27.9 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 140 | 169.3 | -77.5 | 176.4 | 152.5 | 0 | 0 | 110.1 | ||||
| 340 | T | 28.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -105.2 | 104.5 | -177.4 | 45.8 | 0 | 0 | 0 | 0 | 108.4 | S342 | T340-S342 PolarHBondContact O-N 2.93Š| ||
| 341 | D | 30.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -73.6 | 116.8 | 177.4 | -71.4 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 342 | S | 29.5 | Very low | 28.6 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 121.8 | 172.2 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | T340 S344 | T340-S342 PolarHBondContact O-N 2.93Å; S342-S344 PolarHBondContact O-N 3.09Å | ||
| 343 | I | 28.7 | Very low | 28.9 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 109.8 | 179.3 | -61.6 | 165.9 | 0 | 0 | 0 | 109.4 | ||||
| 344 | S | 30.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -88.2 | 120.3 | 167.8 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | S342 | S342-S344 PolarHBondContact O-N 3.09Š| ||
| 345 | S | 27.3 | Very low | 29.4 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -72.6 | 115.8 | 175 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 346 | S | 30.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -109.1 | 110.1 | 165.7 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 347 | S | 28 | Very low | 29.9 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -74.7 | 114.7 | 169.1 | 50.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 348 | S | 32.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -108 | 111.7 | 169.3 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 349 | S | 32.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -66.4 | 133.9 | -179.7 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | N351 | S349-N351 PolarHBondContact O-N 3.45Š| ||
| 350 | S | 33.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | trans | -68.3 | 115.9 | 173.8 | -27.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 351 | N | 31.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | -91.7 | 107.3 | 167.6 | -100.8 | -5.4 | 0 | 0 | 0 | 109 | S349 H353 | S349-N351 PolarHBondContact O-N 3.45Å; N351-H353 PolarHBondContact O-N 3.31Å | ||
| 352 | N | 29.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -68.4 | 118.4 | 162.1 | -76.9 | -26.1 | 0 | 0 | 0 | 108.6 | ||||
| 353 | H | 32.6 | Very low | 30.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -135.5 | 111.5 | 160.8 | -95.3 | -64.4 | 0 | 0 | 0 | 109.6 | N351 | N351-H353 PolarHBondContact O-N 3.31Š| ||
| 354 | Y | 33.6 | Very low | 31.1 | Very low | 306 Ų | 306 | 142.5 Ų | 142.5 | 100% | 1.2 | 83% | 0.831 | S | S | * | * | trans | 65.1 | 0 | 158.5 | -109.5 | -95.3 | 0 | 0 | 0 | 120.2 |
Retrieved 354 of 354 residues in 437.5 ms
(Link to these results)