| 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 | 37.5 | Very low | 67.6 | Low | 227 Ų | 227 | 90.7 Ų | 90.7 | 100% | 1.118 | 51% | 0.508 | S | S | * | . | 0 | 91.4 | 0 | -66 | 173.8 | -169.7 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | S | 32.3 | Very low | 70.2 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | trans | -71.1 | 104 | 166.8 | 157.5 | 0 | 0 | 0 | 0 | 105.6 | Q293 | S2-Q293 PolarHBondContact O-NE2 3.11Š| ||
| 3 | S | 39.4 | Very low | 72.4 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 43% | 0.434 | 43% | 0.43 | S | S | . | . | trans | -67.4 | 136.1 | -177.5 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | M1 N5 | M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.17Å; S3-N5 VanDerWaalsContact CB-ND2 3.32Å; S3-N5 WeakPolarHBondContact CB-ND2 3.43Å; S3-N5 VanDerWaalsContact CB-OD1 3.23Å; S3-N5 WeakPolarHBondContact CB-OD1 3.29Å; S3-N5 PolarHBondContact O-N 3.2Å; S3-N5 VanDerWaalsContact OG-CB 3.25Å; S3-N5 WeakPolarHBondContact OG-CB 3.39Å; S3-N5 PolarHBondContact OG-ND2 2.9Å | ||
| 4 | T | 50.6 | Low | 74.3 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | trans | -66.1 | 31.7 | 165.9 | 42.1 | 0 | 0 | 0 | 0 | 111.7 | G6 L7 Q293 L296 T325 | T4-G6 PolarHBondContact O-N 2.99Å; T4-L7 PolarHBondContact O-N 3.16Å; T4-Q293 HydrophobicContact CG2-CG 4.28Å; T4-L296 HydrophobicContact CG2-CB 4.39Å; T4-L296 HydrophobicContact CG2-CD1 4.47Å; T4-T325 PolarHBondContact OG1-O 3.09Å | ||
| 5 | N | 53.5 | Low | 75.9 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 12.8 | -158.8 | -99.9 | 5.7 | 0 | 0 | 0 | 116.2 | S3 | S3-N5 VanDerWaalsContact CB-ND2 3.32Å; S3-N5 WeakPolarHBondContact CB-ND2 3.43Å; S3-N5 VanDerWaalsContact CB-OD1 3.23Å; S3-N5 WeakPolarHBondContact CB-OD1 3.29Å; S3-N5 PolarHBondContact O-N 3.2Å; S3-N5 VanDerWaalsContact OG-CB 3.25Å; S3-N5 WeakPolarHBondContact OG-CB 3.39Å; S3-N5 PolarHBondContact OG-ND2 2.9Å |
| 6 | G | 72.3 | Confident | 77.3 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -15.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | T4 T8 | T4-G6 PolarHBondContact O-N 2.99Å; G6-T8 PolarHBondContact O-N 3.25Å |
| 7 | L | 86.7 | Confident | 78.6 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | trans | -81.3 | 118.7 | -175.4 | -62.2 | 179.3 | 0 | 0 | 0 | 110.3 | T4 D11 V12 K134 V135 A326 | T4-L7 PolarHBondContact O-N 3.16Å; L7-D11 HydrophobicContact CB-CB 4.28Å; L7-D11 HydrophobicContact CD2-CB 3.71Å; L7-V12 HydrophobicContact CB-CG2 4.18Å; L7-V12 HydrophobicContact CD1-CG2 4.16Å; L7-K134 HydrophobicContact CD2-CB 4.01Å; L7-K134 HydrophobicContact CD2-CD 3.71Å; L7-K134 HydrophobicContact CD2-CG 4.48Å; L7-V135 HydrophobicContact CD1-CG2 3.82Å; L7-A326 WeakPolarHBondContact CD1-O 3.45Å | ||
| 8 | T | 90.1 | Very high | 79.6 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | trans | -89.8 | 170.9 | 171.6 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | G6 N10 D11 | G6-T8 PolarHBondContact O-N 3.25Å; T8-N10 PolarHBondContact O-N 3.36Å; T8-N10 VanDerWaalsContact O-N 3.08Å; T8-N10 PolarHBondContact OG1-N 3.49Å; T8-D11 WeakPolarHBondContact CA-OD2 3.37Å; T8-D11 WeakPolarHBondContact CB-OD2 3.37Å; T8-D11 PolarHBondContact N-OD2 3.47Å; T8-D11 WeakPolarHBondContact O-CB 3.45Å; T8-D11 PolarHBondContact O-N 3.02Å; T8-D11 PolarHBondContact OG1-OD2 3.4Å | ||
| 9 | R | 90.9 | Very high | 80.5 | Confident | 146 Ų | 146 | 64.7 Ų | 64.7 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -50.4 | -35.6 | 173.6 | 178.6 | -179.8 | -178.7 | -157 | -0.3 | 113.5 | D11 G48 H49 V50 K51 | R9-D11 VanDerWaalsContact C-N 3.32Å; R9-G48 WeakPolarHBondContact CD-O 3.22Å; R9-H49 WeakPolarHBondContact CA-O 3.46Å; R9-V50 PolarHBondContact NE-O 3.17Å; R9-K51 PolarHBondContact O-N 3.2Å |
| 10 | N | 93.8 | Very high | 81.4 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -80.7 | -14.3 | -177.5 | -66.5 | -27.9 | 0 | 0 | 0 | 112.7 | T8 | T8-N10 PolarHBondContact O-N 3.36Å; T8-N10 VanDerWaalsContact O-N 3.08Å; T8-N10 PolarHBondContact OG1-N 3.49Å |
| 11 | D | 97.1 | Very high | 82.2 | Confident | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -84.3 | -13.2 | 179.1 | -64.5 | -72.7 | 0 | 0 | 0 | 113.1 | L7 T8 R9 K134 V135 | L7-D11 HydrophobicContact CB-CB 4.28Å; L7-D11 HydrophobicContact CD2-CB 3.71Å; T8-D11 WeakPolarHBondContact CA-OD2 3.37Å; T8-D11 WeakPolarHBondContact CB-OD2 3.37Å; T8-D11 PolarHBondContact N-OD2 3.47Å; T8-D11 WeakPolarHBondContact O-CB 3.45Å; T8-D11 PolarHBondContact O-N 3.02Å; T8-D11 PolarHBondContact OG1-OD2 3.4Å; R9-D11 VanDerWaalsContact C-N 3.32Å; D11-K134 HydrophobicContact CB-CB 4.32Å; D11-K134 HydrophobicContact CB-CD 4.21Å; D11-K134 HydrophobicContact CB-CG 4.33Å; D11-K134 PolarHBondContact O-N 3Å; D11-K134 WeakPolarHBondContact OD1-CD 3.49Å; D11-K134 WeakPolarHBondContact OD1-CE 3.47Å; D11-K134 IonicContact OD1-NZ 2.8Å; D11-K134 PolarHBondContact OD1-NZ 2.75Å; D11-K134 IonicContact OD2-NZ 2.71Å; D11-V135 PolarHBondContact O-N 3.2Å |
| 12 | V | 98.4 | Very high | 85 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.7 | -175 | -172 | 0 | 0 | 0 | 0 | 110.5 | L7 V50 K51 V135 I137 V327 | L7-V12 HydrophobicContact CB-CG2 4.18Å; L7-V12 HydrophobicContact CD1-CG2 4.16Å; V12-V50 HydrophobicContact CB-CG1 3.94Å; V12-V50 HydrophobicContact CG1-CB 4.47Å; V12-V50 HydrophobicContact CG1-CG1 3.65Å; V12-V50 WeakPolarHBondContact O-CA 3.34Å; V12-V50 WeakPolarHBondContact O-CB 3.37Å; V12-K51 PolarHBondContact O-N 2.77Å; V12-V135 CarbonylContact C-O 3.58Å; V12-V135 VanDerWaalsContact CA-O 3.28Å; V12-V135 WeakPolarHBondContact CA-O 3.25Å; V12-V135 HydrophobicContact CG1-CB 4.25Å; V12-V135 HydrophobicContact CG1-CG1 4.35Å; V12-V135 HydrophobicContact CG2-CB 4.24Å; V12-I137 HydrophobicContact CG1-CD1 3.78Å; V12-I137 HydrophobicContact CG1-CG1 4.36Å; V12-V327 HydrophobicContact CB-CG1 4.38Å; V12-V327 HydrophobicContact CG1-CG1 4.28Å; V12-V327 HydrophobicContact CG2-CG1 4.28Å |
| 13 | A | 98.7 | Very high | 88 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K51 F53 L127 V133 V135 S136 I137 | A13-K51 CarbonylContact C-O 3.53Å; A13-K51 WeakPolarHBondContact CA-O 3.29Å; A13-K51 HydrophobicContact CB-CB 4.48Å; A13-F53 HydrophobicContact CB-CD1 4.16Å; A13-F53 HydrophobicContact CB-CE1 4.27Å; A13-L127 HydrophobicContact CB-CD1 3.85Å; A13-V133 HydrophobicContact CB-CB 4.48Å; A13-V133 HydrophobicContact CB-CG1 3.79Å; A13-V133 HydrophobicContact CB-CG2 4.31Å; A13-V135 PolarHBondContact N-O 3.39Å; A13-S136 CarbonylContact O-C 3.55Å; A13-S136 WeakPolarHBondContact O-CA 3.22Å; A13-I137 PolarHBondContact O-N 2.93Å |
| 14 | L | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.1 | 175.1 | 177 | 64.1 | 0 | 0 | 0 | 109.8 | Y16 F38 F47 V50 K51 V52 F53 I137 L323 | L14-Y16 PolarHBondContact O-N 3.28Å; L14-F38 HydrophobicContact CD1-CE1 4.32Å; L14-F38 HydrophobicContact CD2-CE1 4.32Å; L14-F38 HydrophobicContact CG-CE1 4.47Å; L14-F47 HydrophobicContact CD2-CD1 4.16Å; L14-F47 HydrophobicContact CD2-CE1 3.65Å; L14-F47 HydrophobicContact CD2-CZ 4.04Å; L14-V50 HydrophobicContact CB-CB 4.43Å; L14-V50 HydrophobicContact CB-CG2 3.9Å; L14-V50 HydrophobicContact CD2-CG2 4.27Å; L14-K51 PolarHBondContact N-O 2.72Å; L14-V52 WeakPolarHBondContact O-CA 3.4Å; L14-F53 WeakPolarHBondContact O-CD1 3.24Å; L14-F53 PolarHBondContact O-N 3.28Å; L14-I137 HydrophobicContact CD1-CB 3.85Å; L14-I137 HydrophobicContact CD1-CG2 3.73Å; L14-L323 HydrophobicContact CD2-CD2 4.25Å |
| 15 | A | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F53 A120 I137 N138 | A15-F53 HydrophobicContact CB-CE1 3.75Å; A15-F53 HydrophobicContact CB-CE2 4.2Å; A15-F53 HydrophobicContact CB-CZ 3.54Å; A15-A120 HydrophobicContact CB-CB 3.99Å; A15-I137 PolarHBondContact N-O 3.22Å; A15-N138 HydrophobicContact CB-CB 4.3Å |
| 16 | Y | 98.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | trans | -155.2 | 138.7 | 175.9 | 165.9 | -94.5 | 0 | 0 | 0 | 111.6 | L14 F38 F47 V52 F53 | L14-Y16 PolarHBondContact O-N 3.28Å; Y16-F38 HydrophobicContact CD2-CB 4.03Å; Y16-F38 AromaticContact CD2-CD1 3.52Å; Y16-F38 HydrophobicContact CD2-CD1 3.52Å; Y16-F38 AromaticContact CD2-CD2 3.53Å; Y16-F38 HydrophobicContact CD2-CD2 3.53Å; Y16-F38 AromaticContact CD2-CE1 3.7Å; Y16-F38 HydrophobicContact CD2-CE1 3.7Å; Y16-F38 AromaticContact CD2-CE2 3.72Å; Y16-F38 HydrophobicContact CD2-CE2 3.72Å; Y16-F38 AromaticContact CD2-CG 3.42Å; Y16-F38 HydrophobicContact CD2-CG 3.42Å; Y16-F38 VanDerWaalsContact CD2-CG 3.42Å; Y16-F38 AromaticContact CD2-CZ 3.8Å; Y16-F38 HydrophobicContact CD2-CZ 3.8Å; Y16-F38 HydrophobicContact CE2-CB 3.74Å; Y16-F38 HydrophobicContact CE2-CD1 4.14Å; Y16-F38 AromaticContact CE2-CD2 3.77Å; Y16-F38 HydrophobicContact CE2-CD2 3.77Å; Y16-F38 HydrophobicContact CE2-CE2 4.37Å; Y16-F38 AromaticContact CE2-CG 3.64Å; Y16-F38 HydrophobicContact CE2-CG 3.64Å; Y16-F38 HydrophobicContact CG-CD1 4.27Å; Y16-F38 HydrophobicContact CG-CE1 4.24Å; Y16-F47 AromaticContact CD1-CE2 3.54Å; Y16-F47 HydrophobicContact CD1-CE2 3.54Å; Y16-F47 HydrophobicContact CD1-CZ 4.09Å; Y16-F47 HydrophobicContact CD2-CE2 4.3Å; Y16-F47 HydrophobicContact CD2-CZ 4.05Å; Y16-F47 AromaticContact CE1-CE2 3.72Å; Y16-F47 HydrophobicContact CE1-CE2 3.72Å; Y16-F47 HydrophobicContact CE1-CZ 4.38Å; Y16-F47 HydrophobicContact CE2-CE2 4.45Å; Y16-F47 HydrophobicContact CE2-CZ 4.35Å; Y16-F47 AromaticContact CG-CE2 3.83Å; Y16-F47 HydrophobicContact CG-CE2 3.83Å; Y16-F47 AromaticContact CG-CZ 3.89Å; Y16-F47 HydrophobicContact CG-CZ 3.89Å; Y16-V52 HydrophobicContact CD1-CG1 3.83Å; Y16-V52 HydrophobicContact CG-CG1 4.32Å; Y16-F53 PolarHBondContact N-O 3.37Å; Y16-F53 CarbonylContact O-C 3.57Å | ||
| 17 | S | 98.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | trans | -153.3 | 157 | 160.4 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | Q19 L20 S21 | S17-Q19 PolarHBondContact O-N 3.21Å; S17-L20 WeakPolarHBondContact O-CB 3.3Å; S17-L20 PolarHBondContact O-N 3.2Å; S17-L20 VanDerWaalsContact O-N 3.09Å; S17-L20 PolarHBondContact OG-N 3.33Å; S17-L20 VanDerWaalsContact OG-N 3.1Å; S17-S21 PolarHBondContact O-N 3.33Å; S17-S21 VanDerWaalsContact O-N 3.1Å | ||
| 18 | P | 97.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -53.2 | -40 | 172.9 | -27.6 | 35.5 | 0 | 0 | 0 | 112.6 | S21 E22 | P18-S21 WeakPolarHBondContact O-CB 3.25Å; P18-S21 PolarHBondContact O-N 2.92Å; P18-E22 WeakPolarHBondContact O-CB 3.36Å; P18-E22 PolarHBondContact O-N 3.05Å |
| 19 | Q | 97.3 | Very high | 96 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 177 | -176.9 | -177.2 | -1.4 | 0 | 0 | 112.9 | S17 S21 L23 L116 | S17-Q19 PolarHBondContact O-N 3.21Å; Q19-S21 VanDerWaalsContact C-N 3.32Å; Q19-L23 HydrophobicContact CG-CD1 4.2Å; Q19-L23 WeakPolarHBondContact O-CB 3.19Å; Q19-L23 PolarHBondContact O-N 2.95Å; Q19-L116 HydrophobicContact CG-CD2 4.3Å |
| 20 | L | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.4 | 174.1 | 67.6 | 0 | 0 | 0 | 110.4 | S17 C24 P55 L116 V117 C140 | S17-L20 WeakPolarHBondContact O-CB 3.3Å; S17-L20 PolarHBondContact O-N 3.2Å; S17-L20 VanDerWaalsContact O-N 3.09Å; S17-L20 PolarHBondContact OG-N 3.33Å; S17-L20 VanDerWaalsContact OG-N 3.1Å; L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.4Å; L20-C24 PolarHBondContact O-SG 3.37Å; L20-P55 HydrophobicContact CB-CG 4.44Å; L20-P55 HydrophobicContact CD2-CG 4.1Å; L20-L116 HydrophobicContact CB-CD2 4.04Å; L20-L116 HydrophobicContact CD1-CD2 4.08Å; L20-L116 HydrophobicContact CD1-CG 3.98Å; L20-V117 HydrophobicContact CD1-CG2 4.04Å; L20-C140 HydrophobicContact CD1-CB 4.25Å; L20-C140 HydrophobicContact CD2-CB 4.39Å |
| 21 | S | 97.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 179.7 | -149.6 | 0 | 0 | 0 | 0 | 111.6 | S17 P18 Q19 L23 C24 D25 S35 | S17-S21 PolarHBondContact O-N 3.33Å; S17-S21 VanDerWaalsContact O-N 3.1Å; P18-S21 WeakPolarHBondContact O-CB 3.25Å; P18-S21 PolarHBondContact O-N 2.92Å; Q19-S21 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 2.95Å; S21-C24 PolarHBondContact O-N 3.16Å; S21-D25 WeakPolarHBondContact O-CB 3.18Å; S21-D25 VanDerWaalsContact O-CG 3.31Å; S21-D25 PolarHBondContact O-N 3.41Å; S21-S35 WeakPolarHBondContact OG-CA 3.45Å; S21-S35 WeakPolarHBondContact OG-CB 3.43Å; S21-S35 PolarHBondContact OG-N 3.03Å; S21-S35 PolarHBondContact OG-OG 3.33Å |
| 22 | E | 96.5 | Very high | 96.1 | Very high | 140 Ų | 140 | 48.6 Ų | 48.6 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.3 | -44.7 | 178.8 | -174.9 | 176.8 | -169.3 | 0 | 0 | 112.1 | P18 D25 T26 | P18-E22 WeakPolarHBondContact O-CB 3.36Å; P18-E22 PolarHBondContact O-N 3.05Å; E22-D25 PolarHBondContact O-N 3.41Å; E22-T26 WeakPolarHBondContact O-CG2 3.38Å; E22-T26 PolarHBondContact O-N 2.71Å |
| 23 | L | 96.5 | Very high | 96 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | 176 | -80 | 169.5 | 0 | 0 | 0 | 112.7 | Q19 S21 D25 T26 A112 L116 | Q19-L23 HydrophobicContact CG-CD1 4.2Å; Q19-L23 WeakPolarHBondContact O-CB 3.19Å; Q19-L23 PolarHBondContact O-N 2.95Å; S21-L23 PolarHBondContact O-N 2.95Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 2.84Å; L23-T26 PolarHBondContact O-N 3.47Å; L23-T26 PolarHBondContact O-OG1 2.93Å; L23-A112 HydrophobicContact CD1-CB 4.41Å; L23-A112 HydrophobicContact CD2-CB 4.06Å; L23-L116 HydrophobicContact CD1-CB 4.43Å; L23-L116 HydrophobicContact CD1-CD2 3.6Å |
| 24 | C | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.4 | -32.6 | 175.3 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | L20 S21 T26 V27 T34 Y113 | L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.4Å; L20-C24 PolarHBondContact O-SG 3.37Å; S21-C24 PolarHBondContact O-N 3.16Å; C24-T26 PolarHBondContact O-N 3.09Å; C24-V27 PolarHBondContact O-N 3.15Å; C24-T34 HydrophobicContact CB-CG2 3.76Å; C24-T34 WeakPolarHBondContact CB-OG1 3.44Å; C24-Y113 HydrophobicContact CB-CE2 4.26Å |
| 25 | D | 95.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 50 Ų | 50 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.6 | 179.1 | -79.1 | 8.1 | 0 | 0 | 0 | 113.3 | S21 E22 L23 V27 K32 S35 | S21-D25 WeakPolarHBondContact O-CB 3.18Å; S21-D25 VanDerWaalsContact O-CG 3.31Å; S21-D25 PolarHBondContact O-N 3.41Å; E22-D25 PolarHBondContact O-N 3.41Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 2.84Å; D25-V27 VanDerWaalsContact C-N 3.26Å; D25-K32 HydrophobicContact CB-CG 4.14Å; D25-K32 VanDerWaalsContact OD1-CA 3.28Å; D25-K32 WeakPolarHBondContact OD1-CA 3.41Å; D25-S35 PolarHBondContact OD1-N 3.14Å; D25-S35 PolarHBondContact OD1-OG 2.77Å; D25-S35 WeakPolarHBondContact OD2-CB 3.5Å; D25-S35 PolarHBondContact OD2-OG 2.8Å |
| 26 | T | 94.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17 | 171.3 | 71 | 0 | 0 | 0 | 0 | 112.7 | E22 L23 C24 E28 S109 | E22-T26 WeakPolarHBondContact O-CG2 3.38Å; E22-T26 PolarHBondContact O-N 2.71Å; L23-T26 PolarHBondContact O-N 3.47Å; L23-T26 PolarHBondContact O-OG1 2.93Å; C24-T26 PolarHBondContact O-N 3.09Å; T26-E28 PolarHBondContact O-N 2.83Å; T26-S109 WeakPolarHBondContact CB-OG 3.39Å; T26-S109 PolarHBondContact OG1-OG 2.77Å |
| 27 | V | 93.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -78.1 | 104.9 | 177 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | C24 D25 T29 L30 F107 Y113 | C24-V27 PolarHBondContact O-N 3.15Å; D25-V27 VanDerWaalsContact C-N 3.26Å; V27-T29 VanDerWaalsContact C-N 3.31Å; V27-T29 PolarHBondContact O-N 2.98Å; V27-L30 HydrophobicContact CB-CB 4.38Å; V27-L30 HydrophobicContact CB-CD1 3.97Å; V27-L30 HydrophobicContact CB-CG 3.94Å; V27-L30 HydrophobicContact CG1-CD1 4.08Å; V27-L30 HydrophobicContact CG1-CG 3.78Å; V27-L30 HydrophobicContact CG2-CD1 4.43Å; V27-L30 PolarHBondContact O-N 3.37Å; V27-F107 HydrophobicContact CG2-CE2 4.24Å; V27-F107 HydrophobicContact CG2-CZ 3.8Å; V27-Y113 HydrophobicContact CG2-CD1 4.04Å; V27-Y113 HydrophobicContact CG2-CD2 3.94Å; V27-Y113 HydrophobicContact CG2-CE1 3.83Å; V27-Y113 HydrophobicContact CG2-CE2 3.72Å; V27-Y113 HydrophobicContact CG2-CG 4.08Å | ||
| 28 | E | 90.5 | Very high | 95.9 | Very high | 176 Ų | 176 | 48 Ų | 48 | 82% | 0.822 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -57.7 | -41.4 | -171.8 | -174.1 | 173.9 | -173.6 | 0 | 0 | 113 | T26 L30 K31 | T26-E28 PolarHBondContact O-N 2.83Å; E28-L30 PolarHBondContact O-N 2.69Å; E28-L30 VanDerWaalsContact O-N 3.11Å; E28-K31 WeakPolarHBondContact O-CG 2.91Å; E28-K31 PolarHBondContact O-N 2.9Å; E28-K31 VanDerWaalsContact O-N 3.08Å |
| 29 | T | 88.6 | Confident | 95.9 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -60.4 | -23.9 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | V27 F154 | V27-T29 VanDerWaalsContact C-N 3.31Å; V27-T29 PolarHBondContact O-N 2.98Å; T29-F154 HydrophobicContact CG2-CD1 4.49Å; T29-F154 HydrophobicContact CG2-CE1 4.38Å |
| 30 | L | 93.2 | Very high | 96 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -89.9 | -9 | -178.9 | -54 | -170.9 | 0 | 0 | 0 | 113.6 | V27 E28 K32 R33 W143 | V27-L30 HydrophobicContact CB-CB 4.38Å; V27-L30 HydrophobicContact CB-CD1 3.97Å; V27-L30 HydrophobicContact CB-CG 3.94Å; V27-L30 HydrophobicContact CG1-CD1 4.08Å; V27-L30 HydrophobicContact CG1-CG 3.78Å; V27-L30 HydrophobicContact CG2-CD1 4.43Å; V27-L30 PolarHBondContact O-N 3.37Å; E28-L30 PolarHBondContact O-N 2.69Å; E28-L30 VanDerWaalsContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.31Å; L30-K32 VanDerWaalsContact O-N 3.09Å; L30-R33 HydrophobicContact CB-CG 4.13Å; L30-R33 VanDerWaalsContact O-CB 3.24Å; L30-R33 WeakPolarHBondContact O-CB 3.12Å; L30-R33 PolarHBondContact O-N 3.28Å; L30-W143 HydrophobicContact CD1-CH2 3.94Å; L30-W143 HydrophobicContact CD1-CZ2 3.92Å; L30-W143 HydrophobicContact CD2-CH2 3.94Å |
| 31 | K | 94.4 | Very high | 96 | Very high | 139 Ų | 139 | 40 Ų | 40 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 46.3 | 171.1 | -60.6 | 176.9 | -176.9 | 171 | 0 | 114.1 | E28 R33 P312 | E28-K31 WeakPolarHBondContact O-CG 2.91Å; E28-K31 PolarHBondContact O-N 2.9Å; E28-K31 VanDerWaalsContact O-N 3.08Å; K31-R33 PolarHBondContact O-N 3.14Å; K31-P312 HydrophobicContact CB-CG 3.7Å; K31-P312 HydrophobicContact CD-CG 4.43Å |
| 32 | K | 95 | Very high | 96.1 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 54% | 0.535 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.3 | -178.4 | -51.8 | -174.7 | 176.3 | -176.9 | 0 | 115.4 | D25 L30 T34 M36 | D25-K32 HydrophobicContact CB-CG 4.14Å; D25-K32 VanDerWaalsContact OD1-CA 3.28Å; D25-K32 WeakPolarHBondContact OD1-CA 3.41Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.31Å; L30-K32 VanDerWaalsContact O-N 3.09Å; K32-T34 PolarHBondContact O-N 2.84Å; K32-M36 WeakPolarHBondContact O-CB 3.36Å; K32-M36 PolarHBondContact O-N 2.84Å |
| 33 | R | 96.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -32.7 | 178.9 | 78.3 | -175.9 | -175.3 | 172.7 | 2.3 | 112.2 | L30 K31 T37 G307 G309 P312 F315 | L30-R33 HydrophobicContact CB-CG 4.13Å; L30-R33 VanDerWaalsContact O-CB 3.24Å; L30-R33 WeakPolarHBondContact O-CB 3.12Å; L30-R33 PolarHBondContact O-N 3.28Å; K31-R33 PolarHBondContact O-N 3.14Å; R33-T37 WeakPolarHBondContact O-CB 3.36Å; R33-T37 PolarHBondContact O-N 2.96Å; R33-T37 PolarHBondContact O-OG1 3.24Å; R33-G307 PolarHBondContact NH1-O 3.41Å; R33-G307 PolarHBondContact NH2-O 3.45Å; R33-G309 PolarHBondContact NH1-O 2.98Å; R33-P312 HydrophobicContact CB-CB 3.84Å; R33-P312 HydrophobicContact CB-CG 4.36Å; R33-F315 HydrophobicContact CB-CD1 4.21Å; R33-F315 HydrophobicContact CB-CG 4.46Å; R33-F315 HydrophobicContact CG-CD1 4.1Å; R33-F315 HydrophobicContact CG-CE1 4.24Å; R33-F315 HydrophobicContact CG-CG 4.42Å |
| 34 | T | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.5 | -55.3 | -176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | C24 K32 M36 T37 F38 C140 | C24-T34 HydrophobicContact CB-CG2 3.76Å; C24-T34 WeakPolarHBondContact CB-OG1 3.44Å; K32-T34 PolarHBondContact O-N 2.84Å; T34-M36 VanDerWaalsContact C-N 3.26Å; T34-M36 PolarHBondContact O-N 3.46Å; T34-T37 PolarHBondContact O-N 3.47Å; T34-T37 VanDerWaalsContact O-N 3.15Å; T34-F38 HydrophobicContact CG2-CD2 3.65Å; T34-F38 HydrophobicContact CG2-CE2 3.41Å; T34-F38 VanDerWaalsContact CG2-CE2 3.41Å; T34-F38 WeakPolarHBondContact O-CD2 3.27Å; T34-F38 PolarHBondContact O-N 2.89Å; T34-C140 WeakPolarHBondContact CG2-SG 3.39Å |
| 35 | S | 97.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | S21 D25 T37 S39 | S21-S35 WeakPolarHBondContact OG-CA 3.45Å; S21-S35 WeakPolarHBondContact OG-CB 3.43Å; S21-S35 PolarHBondContact OG-N 3.03Å; S21-S35 PolarHBondContact OG-OG 3.33Å; D25-S35 PolarHBondContact OD1-N 3.14Å; D25-S35 PolarHBondContact OD1-OG 2.77Å; D25-S35 WeakPolarHBondContact OD2-CB 3.5Å; D25-S35 PolarHBondContact OD2-OG 2.8Å; S35-T37 PolarHBondContact O-N 3.45Å; S35-S39 WeakPolarHBondContact O-CB 3.28Å; S35-S39 PolarHBondContact O-N 3.24Å |
| 36 | M | 98.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.3 | -175 | -175.6 | -52.8 | 0 | 0 | 111.8 | K32 T34 S39 L40 P312 V313 A316 F340 L343 Y344 | K32-M36 WeakPolarHBondContact O-CB 3.36Å; K32-M36 PolarHBondContact O-N 2.84Å; T34-M36 VanDerWaalsContact C-N 3.26Å; T34-M36 PolarHBondContact O-N 3.46Å; M36-S39 PolarHBondContact O-N 3.3Å; M36-L40 WeakPolarHBondContact O-CB 3.35Å; M36-L40 PolarHBondContact O-N 2.99Å; M36-P312 HydrophobicContact CE-CB 3.77Å; M36-P312 HydrophobicContact SD-CB 4.14Å; M36-V313 HydrophobicContact CE-CG2 4.43Å; M36-V313 HydrophobicContact SD-CB 4.5Å; M36-V313 HydrophobicContact SD-CG2 4Å; M36-A316 HydrophobicContact CG-CB 3.9Å; M36-A316 HydrophobicContact SD-CB 4.05Å; M36-F340 HydrophobicContact CB-CD1 4.24Å; M36-F340 HydrophobicContact CB-CD2 4.25Å; M36-F340 HydrophobicContact CB-CE1 4.49Å; M36-F340 HydrophobicContact CB-CG 4.11Å; M36-F340 HydrophobicContact CE-CD1 4.34Å; M36-F340 HydrophobicContact CG-CB 3.97Å; M36-F340 HydrophobicContact CG-CD1 4.44Å; M36-F340 HydrophobicContact CG-CD2 4.46Å; M36-F340 HydrophobicContact CG-CG 4.06Å; M36-L343 HydrophobicContact CE-CD1 3.46Å; M36-L343 VanDerWaalsContact CE-CD1 3.46Å; M36-Y344 HydrophobicContact CG-CE2 4.48Å; M36-Y344 WeakPolarHBondContact CG-OH 3.49Å |
| 37 | T | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -50.5 | -178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | R33 T34 S35 S39 L40 M41 L139 F315 A316 W319 | R33-T37 WeakPolarHBondContact O-CB 3.36Å; R33-T37 PolarHBondContact O-N 2.96Å; R33-T37 PolarHBondContact O-OG1 3.24Å; T34-T37 PolarHBondContact O-N 3.47Å; T34-T37 VanDerWaalsContact O-N 3.15Å; S35-T37 PolarHBondContact O-N 3.45Å; T37-S39 VanDerWaalsContact C-N 3.3Å; T37-S39 PolarHBondContact O-N 3.13Å; T37-L40 PolarHBondContact O-N 2.91Å; T37-M41 HydrophobicContact CG2-CE 3.77Å; T37-M41 HydrophobicContact CG2-SD 4.22Å; T37-M41 WeakPolarHBondContact O-CG 3.35Å; T37-M41 PolarHBondContact O-N 3.35Å; T37-L139 HydrophobicContact CG2-CD1 4.35Å; T37-L139 HydrophobicContact CG2-CD2 4.04Å; T37-F315 HydrophobicContact CG2-CE1 4.43Å; T37-F315 VanDerWaalsContact OG1-CD1 3.3Å; T37-F315 WeakPolarHBondContact OG1-CD1 3.41Å; T37-A316 WeakPolarHBondContact OG1-CA 3.49Å; T37-W319 HydrophobicContact CG2-CB 3.6Å; T37-W319 HydrophobicContact CG2-CG 4.48Å |
| 38 | F | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 178.5 | -73.2 | -55.2 | 0 | 0 | 0 | 111.8 | L14 Y16 T34 L40 M41 Q42 F47 L139 | L14-F38 HydrophobicContact CD1-CE1 4.32Å; L14-F38 HydrophobicContact CD2-CE1 4.32Å; L14-F38 HydrophobicContact CG-CE1 4.47Å; Y16-F38 HydrophobicContact CD2-CB 4.03Å; Y16-F38 AromaticContact CD2-CD1 3.52Å; Y16-F38 HydrophobicContact CD2-CD1 3.52Å; Y16-F38 AromaticContact CD2-CD2 3.53Å; Y16-F38 HydrophobicContact CD2-CD2 3.53Å; Y16-F38 AromaticContact CD2-CE1 3.7Å; Y16-F38 HydrophobicContact CD2-CE1 3.7Å; Y16-F38 AromaticContact CD2-CE2 3.72Å; Y16-F38 HydrophobicContact CD2-CE2 3.72Å; Y16-F38 AromaticContact CD2-CG 3.42Å; Y16-F38 HydrophobicContact CD2-CG 3.42Å; Y16-F38 VanDerWaalsContact CD2-CG 3.42Å; Y16-F38 AromaticContact CD2-CZ 3.8Å; Y16-F38 HydrophobicContact CD2-CZ 3.8Å; Y16-F38 HydrophobicContact CE2-CB 3.74Å; Y16-F38 HydrophobicContact CE2-CD1 4.14Å; Y16-F38 AromaticContact CE2-CD2 3.77Å; Y16-F38 HydrophobicContact CE2-CD2 3.77Å; Y16-F38 HydrophobicContact CE2-CE2 4.37Å; Y16-F38 AromaticContact CE2-CG 3.64Å; Y16-F38 HydrophobicContact CE2-CG 3.64Å; Y16-F38 HydrophobicContact CG-CD1 4.27Å; Y16-F38 HydrophobicContact CG-CE1 4.24Å; T34-F38 HydrophobicContact CG2-CD2 3.65Å; T34-F38 HydrophobicContact CG2-CE2 3.41Å; T34-F38 VanDerWaalsContact CG2-CE2 3.41Å; T34-F38 WeakPolarHBondContact O-CD2 3.27Å; T34-F38 PolarHBondContact O-N 2.89Å; F38-L40 PolarHBondContact O-N 3.01Å; F38-M41 HydrophobicContact CD1-SD 4.29Å; F38-M41 PolarHBondContact O-N 3.4Å; F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 VanDerWaalsContact O-CG 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.31Å; F38-Q42 PolarHBondContact O-N 2.85Å; F38-F47 HydrophobicContact CB-CZ 4.36Å; F38-F47 HydrophobicContact CD1-CE1 4.15Å; F38-F47 AromaticContact CD1-CZ 3.76Å; F38-F47 HydrophobicContact CD1-CZ 3.76Å; F38-F47 HydrophobicContact CG-CZ 4.43Å; F38-L139 HydrophobicContact CD1-CD2 3.99Å; F38-L139 HydrophobicContact CE1-CD2 3.42Å; F38-L139 VanDerWaalsContact CE1-CD2 3.42Å; F38-L139 HydrophobicContact CE1-CG 4.06Å; F38-L139 HydrophobicContact CE2-CD1 4.38Å; F38-L139 HydrophobicContact CZ-CD1 4.16Å; F38-L139 HydrophobicContact CZ-CD2 3.74Å; F38-L139 HydrophobicContact CZ-CG 3.85Å |
| 39 | S | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 176 | -177.8 | 0 | 0 | 0 | 0 | 112 | S35 M36 T37 Q42 A43 H338 P339 | S35-S39 WeakPolarHBondContact O-CB 3.28Å; S35-S39 PolarHBondContact O-N 3.24Å; M36-S39 PolarHBondContact O-N 3.3Å; T37-S39 VanDerWaalsContact C-N 3.3Å; T37-S39 PolarHBondContact O-N 3.13Å; S39-Q42 PolarHBondContact O-N 3.05Å; S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 3.46Å; S39-H338 PolarHBondContact OG-ND1 3.24Å; S39-P339 WeakPolarHBondContact OG-CD 3.23Å |
| 40 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.6 | -175.7 | 65.4 | 0 | 0 | 0 | 111.6 | M36 T37 F38 Q42 A43 Y44 A316 A320 I335 Y344 | M36-L40 WeakPolarHBondContact O-CB 3.35Å; M36-L40 PolarHBondContact O-N 2.99Å; T37-L40 PolarHBondContact O-N 2.91Å; F38-L40 PolarHBondContact O-N 3.01Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.47Å; L40-A43 PolarHBondContact O-N 3.25Å; L40-Y44 HydrophobicContact CD1-CD2 3.94Å; L40-Y44 HydrophobicContact CD1-CE2 3.61Å; L40-Y44 HydrophobicContact CD2-CE2 4.34Å; L40-Y44 HydrophobicContact CG-CD2 3.93Å; L40-Y44 HydrophobicContact CG-CE2 3.87Å; L40-Y44 WeakPolarHBondContact O-CD2 3.27Å; L40-Y44 PolarHBondContact O-N 2.78Å; L40-A316 HydrophobicContact CD2-CB 4.09Å; L40-A320 HydrophobicContact CD2-CB 3.86Å; L40-A320 HydrophobicContact CG-CB 4.23Å; L40-I335 HydrophobicContact CD1-CD1 4Å; L40-I335 HydrophobicContact CD1-CG2 3.8Å; L40-I335 HydrophobicContact CD2-CD1 4.43Å; L40-Y344 HydrophobicContact CD1-CE1 4.49Å; L40-Y344 HydrophobicContact CD2-CE1 4.05Å |
| 41 | M | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 176.8 | -72.1 | 174.9 | 170.9 | 0 | 0 | 112.5 | T37 F38 G45 L46 F47 L139 W319 A320 L323 | T37-M41 HydrophobicContact CG2-CE 3.77Å; T37-M41 HydrophobicContact CG2-SD 4.22Å; T37-M41 WeakPolarHBondContact O-CG 3.35Å; T37-M41 PolarHBondContact O-N 3.35Å; F38-M41 HydrophobicContact CD1-SD 4.29Å; F38-M41 PolarHBondContact O-N 3.4Å; M41-G45 PolarHBondContact O-N 3.06Å; M41-L46 HydrophobicContact CB-CB 4.46Å; M41-L46 HydrophobicContact CB-CD1 4.39Å; M41-L46 HydrophobicContact CG-CD1 4.27Å; M41-L46 WeakPolarHBondContact O-CB 3.5Å; M41-L46 PolarHBondContact O-N 2.84Å; M41-F47 HydrophobicContact CB-CD1 4.13Å; M41-F47 HydrophobicContact CB-CE1 3.82Å; M41-F47 HydrophobicContact SD-CE1 4.39Å; M41-L139 HydrophobicContact CE-CD2 3.81Å; M41-L139 HydrophobicContact SD-CD2 4.04Å; M41-W319 VanDerWaalsContact CE-C 3.42Å; M41-W319 HydrophobicContact CE-CB 3.85Å; M41-W319 HydrophobicContact CE-CE3 4.39Å; M41-W319 WeakPolarHBondContact CE-O 3.33Å; M41-A320 HydrophobicContact CG-CB 4.37Å; M41-L323 HydrophobicContact CB-CD2 4.32Å; M41-L323 HydrophobicContact CE-CB 3.88Å; M41-L323 HydrophobicContact CE-CD2 4.02Å; M41-L323 HydrophobicContact CG-CD2 4Å; M41-L323 HydrophobicContact SD-CD2 3.59Å; M41-L323 VanDerWaalsContact SD-CD2 3.59Å |
| 42 | Q | 98.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.9 | -42 | 175.3 | -74.2 | 176.6 | -44 | 0 | 0 | 111.7 | F38 S39 L40 Y44 G45 F47 | F38-Q42 WeakPolarHBondContact O-CB 3.45Å; F38-Q42 VanDerWaalsContact O-CG 3.29Å; F38-Q42 WeakPolarHBondContact O-CG 3.31Å; F38-Q42 PolarHBondContact O-N 2.85Å; S39-Q42 PolarHBondContact O-N 3.05Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.47Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.12Å; Q42-G45 WeakPolarHBondContact O-CA 3.46Å; Q42-G45 PolarHBondContact O-N 3.31Å; Q42-F47 HydrophobicContact CG-CD1 3.89Å; Q42-F47 HydrophobicContact CG-CD2 3.67Å; Q42-F47 HydrophobicContact CG-CE1 3.9Å; Q42-F47 HydrophobicContact CG-CE2 3.67Å; Q42-F47 HydrophobicContact CG-CG 3.79Å; Q42-F47 HydrophobicContact CG-CZ 3.79Å |
| 43 | A | 98.5 | Very high | 98 | Very high | 38 Ų | 38 | 26.5 Ų | 26.5 | 31% | 0.314 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.7 | -34.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S39 L40 G45 P336 H338 | S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 3.25Å; A43-G45 PolarHBondContact O-N 3.09Å; A43-P336 HydrophobicContact CB-CB 4.08Å; A43-P336 HydrophobicContact CB-CG 3.56Å; A43-H338 HydrophobicContact CB-CB 3.78Å |
| 44 | Y | 98.6 | Very high | 98.1 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.9 | 168.9 | -81.2 | -63.9 | 0 | 0 | 0 | 114.4 | L40 Q42 L46 A320 L331 V332 D334 I335 P336 L350 | L40-Y44 HydrophobicContact CD1-CD2 3.94Å; L40-Y44 HydrophobicContact CD1-CE2 3.61Å; L40-Y44 HydrophobicContact CD2-CE2 4.34Å; L40-Y44 HydrophobicContact CG-CD2 3.93Å; L40-Y44 HydrophobicContact CG-CE2 3.87Å; L40-Y44 WeakPolarHBondContact O-CD2 3.27Å; L40-Y44 PolarHBondContact O-N 2.78Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.12Å; Y44-L46 VanDerWaalsContact C-N 3.28Å; Y44-L46 PolarHBondContact O-N 3.3Å; Y44-A320 HydrophobicContact CD2-CB 4.48Å; Y44-L331 HydrophobicContact CD1-CB 4.27Å; Y44-L331 HydrophobicContact CD1-CD2 3.79Å; Y44-L331 HydrophobicContact CD1-CG 4.42Å; Y44-L331 HydrophobicContact CD2-CD1 4.3Å; Y44-L331 HydrophobicContact CE1-CB 4.09Å; Y44-L331 HydrophobicContact CE1-CD2 4.44Å; Y44-L331 HydrophobicContact CE2-CD1 4.4Å; Y44-L331 HydrophobicContact CG-CD1 4.4Å; Y44-L331 HydrophobicContact CG-CD2 3.84Å; Y44-V332 HydrophobicContact CE1-CG2 3.92Å; Y44-V332 PolarHBondContact OH-O 3.19Å; Y44-D334 PolarHBondContact OH-O 3.08Å; Y44-I335 HydrophobicContact CE2-CD1 4.45Å; Y44-P336 HydrophobicContact CD1-CG 4Å; Y44-P336 HydrophobicContact CD2-CG 4.15Å; Y44-P336 VanDerWaalsContact CE1-CD 3.49Å; Y44-P336 HydrophobicContact CE1-CG 4.06Å; Y44-P336 HydrophobicContact CE2-CG 4.22Å; Y44-P336 HydrophobicContact CG-CG 4.05Å; Y44-L350 HydrophobicContact CE2-CD1 4.1Å |
| 45 | G | 98 | Very high | 98.2 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 10.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | M41 Q42 A43 F47 G48 | M41-G45 PolarHBondContact O-N 3.06Å; Q42-G45 WeakPolarHBondContact O-CA 3.46Å; Q42-G45 PolarHBondContact O-N 3.31Å; A43-G45 PolarHBondContact O-N 3.09Å; G45-F47 PolarHBondContact O-N 3.42Å; G45-G48 PolarHBondContact O-N 3.03Å |
| 46 | L | 98 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -63.7 | -27.4 | -174.4 | -68.4 | 175.1 | 0 | 0 | 0 | 113.4 | M41 Y44 G48 H49 A320 L323 V327 K329 L331 | M41-L46 HydrophobicContact CB-CB 4.46Å; M41-L46 HydrophobicContact CB-CD1 4.39Å; M41-L46 HydrophobicContact CG-CD1 4.27Å; M41-L46 WeakPolarHBondContact O-CB 3.5Å; M41-L46 PolarHBondContact O-N 2.84Å; Y44-L46 VanDerWaalsContact C-N 3.28Å; Y44-L46 PolarHBondContact O-N 3.3Å; L46-G48 PolarHBondContact O-N 3.06Å; L46-H49 PolarHBondContact O-N 2.85Å; L46-A320 WeakPolarHBondContact CD1-O 3.42Å; L46-L323 HydrophobicContact CB-CD2 3.68Å; L46-L323 HydrophobicContact CB-CG 4.19Å; L46-L323 HydrophobicContact CD1-CB 4.16Å; L46-L323 HydrophobicContact CD1-CD2 4.02Å; L46-L323 HydrophobicContact CD1-CG 4.12Å; L46-L323 HydrophobicContact CG-CD2 4.46Å; L46-V327 HydrophobicContact CD2-CG2 4.23Å; L46-K329 HydrophobicContact CD2-CB 4.38Å; L46-L331 HydrophobicContact CD1-CD2 4.32Å; L46-L331 HydrophobicContact CD2-CD2 3.97Å; L46-L331 HydrophobicContact CG-CD2 4.27Å |
| 47 | F | 97.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -61.5 | -24.8 | 175.8 | -84.3 | 37.9 | 0 | 0 | 0 | 112.6 | L14 Y16 F38 M41 Q42 G45 H49 V52 | L14-F47 HydrophobicContact CD2-CD1 4.16Å; L14-F47 HydrophobicContact CD2-CE1 3.65Å; L14-F47 HydrophobicContact CD2-CZ 4.04Å; Y16-F47 AromaticContact CD1-CE2 3.54Å; Y16-F47 HydrophobicContact CD1-CE2 3.54Å; Y16-F47 HydrophobicContact CD1-CZ 4.09Å; Y16-F47 HydrophobicContact CD2-CE2 4.3Å; Y16-F47 HydrophobicContact CD2-CZ 4.05Å; Y16-F47 AromaticContact CE1-CE2 3.72Å; Y16-F47 HydrophobicContact CE1-CE2 3.72Å; Y16-F47 HydrophobicContact CE1-CZ 4.38Å; Y16-F47 HydrophobicContact CE2-CE2 4.45Å; Y16-F47 HydrophobicContact CE2-CZ 4.35Å; Y16-F47 AromaticContact CG-CE2 3.83Å; Y16-F47 HydrophobicContact CG-CE2 3.83Å; Y16-F47 AromaticContact CG-CZ 3.89Å; Y16-F47 HydrophobicContact CG-CZ 3.89Å; F38-F47 HydrophobicContact CB-CZ 4.36Å; F38-F47 HydrophobicContact CD1-CE1 4.15Å; F38-F47 AromaticContact CD1-CZ 3.76Å; F38-F47 HydrophobicContact CD1-CZ 3.76Å; F38-F47 HydrophobicContact CG-CZ 4.43Å; M41-F47 HydrophobicContact CB-CD1 4.13Å; M41-F47 HydrophobicContact CB-CE1 3.82Å; M41-F47 HydrophobicContact SD-CE1 4.39Å; Q42-F47 HydrophobicContact CG-CD1 3.89Å; Q42-F47 HydrophobicContact CG-CD2 3.67Å; Q42-F47 HydrophobicContact CG-CE1 3.9Å; Q42-F47 HydrophobicContact CG-CE2 3.67Å; Q42-F47 HydrophobicContact CG-CG 3.79Å; Q42-F47 HydrophobicContact CG-CZ 3.79Å; G45-F47 PolarHBondContact O-N 3.42Å; F47-H49 PolarHBondContact O-N 3.06Å; F47-V52 HydrophobicContact CB-CG2 4.38Å; F47-V52 HydrophobicContact CD2-CG2 3.81Å; F47-V52 HydrophobicContact CE2-CG2 4.29Å; F47-V52 HydrophobicContact CG-CG2 4.11Å |
| 48 | G | 96.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 46% | 0.464 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -69.1 | -11.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | R9 G45 L46 | R9-G48 WeakPolarHBondContact CD-O 3.22Å; G45-G48 PolarHBondContact O-N 3.03Å; L46-G48 PolarHBondContact O-N 3.06Å |
| 49 | H | 97.2 | Very high | 98.2 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -110.8 | 7.3 | -175.4 | -60.5 | -52.3 | 0 | 0 | 0 | 114.1 | R9 L46 F47 V327 K329 | R9-H49 WeakPolarHBondContact CA-O 3.46Å; L46-H49 PolarHBondContact O-N 2.85Å; F47-H49 PolarHBondContact O-N 3.06Å; H49-V327 HydrophobicContact CB-CB 4.09Å; H49-V327 HydrophobicContact CB-CG1 4.34Å; H49-V327 HydrophobicContact CB-CG2 4.01Å; H49-K329 VanDerWaalsContact CE1-CE 3.42Å; H49-K329 WeakPolarHBondContact CE1-CE 3.4Å |
| 50 | V | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -134.2 | 164.6 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | R9 V12 L14 V52 L323 V327 | R9-V50 PolarHBondContact NE-O 3.17Å; V12-V50 HydrophobicContact CB-CG1 3.94Å; V12-V50 HydrophobicContact CG1-CB 4.47Å; V12-V50 HydrophobicContact CG1-CG1 3.65Å; V12-V50 WeakPolarHBondContact O-CA 3.34Å; V12-V50 WeakPolarHBondContact O-CB 3.37Å; L14-V50 HydrophobicContact CB-CB 4.43Å; L14-V50 HydrophobicContact CB-CG2 3.9Å; L14-V50 HydrophobicContact CD2-CG2 4.27Å; V50-V52 HydrophobicContact CG2-CG2 3.88Å; V50-L323 HydrophobicContact CG1-CD1 3.82Å; V50-V327 HydrophobicContact CG1-CG1 3.54Å |
| 51 | K | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 101.8 | 162.6 | -179.1 | -178.2 | 174.9 | -174.3 | 0 | 108.7 | R9 V12 A13 L14 E132 | R9-K51 PolarHBondContact O-N 3.2Å; V12-K51 PolarHBondContact O-N 2.77Å; A13-K51 CarbonylContact C-O 3.53Å; A13-K51 WeakPolarHBondContact CA-O 3.29Å; A13-K51 HydrophobicContact CB-CB 4.48Å; L14-K51 PolarHBondContact N-O 2.72Å; K51-E132 IonicContact NZ-OE2 3.78Å; K51-E132 PolarHBondContact NZ-OE2 2.82Å |
| 52 | V | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 131.1 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | L14 Y16 F47 V50 | L14-V52 WeakPolarHBondContact O-CA 3.4Å; Y16-V52 HydrophobicContact CD1-CG1 3.83Å; Y16-V52 HydrophobicContact CG-CG1 4.32Å; F47-V52 HydrophobicContact CB-CG2 4.38Å; F47-V52 HydrophobicContact CD2-CG2 3.81Å; F47-V52 HydrophobicContact CE2-CG2 4.29Å; F47-V52 HydrophobicContact CG-CG2 4.11Å; V50-V52 HydrophobicContact CG2-CG2 3.88Å |
| 53 | F | 98.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.5 | 174.3 | 77.5 | -84.7 | 0 | 0 | 0 | 111.5 | A13 L14 A15 Y16 P55 Q123 C124 L127 | A13-F53 HydrophobicContact CB-CD1 4.16Å; A13-F53 HydrophobicContact CB-CE1 4.27Å; L14-F53 WeakPolarHBondContact O-CD1 3.24Å; L14-F53 PolarHBondContact O-N 3.28Å; A15-F53 HydrophobicContact CB-CE1 3.75Å; A15-F53 HydrophobicContact CB-CE2 4.2Å; A15-F53 HydrophobicContact CB-CZ 3.54Å; Y16-F53 PolarHBondContact N-O 3.37Å; Y16-F53 CarbonylContact O-C 3.57Å; F53-P55 HydrophobicContact CE2-CB 4.19Å; F53-P55 WeakPolarHBondContact O-CD 3.43Å; F53-Q123 HydrophobicContact CE2-CB 3.93Å; F53-Q123 HydrophobicContact CZ-CB 4.29Å; F53-C124 VanDerWaalsContact CZ-SG 3.56Å; F53-L127 HydrophobicContact CD1-CD1 4Å; F53-L127 HydrophobicContact CE1-CD1 3.77Å; F53-L127 HydrophobicContact CZ-CD1 4.14Å |
| 54 | K | 98.6 | Very high | 98 | Very high | 137 Ų | 137 | 48.8 Ų | 48.8 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | trans | -79.3 | 118.5 | 173.7 | 174.9 | 174 | -176.7 | -177.9 | 0 | 108.8 | ||||
| 55 | P | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -75.8 | 163.3 | 175.9 | 31.1 | -33.5 | 0 | 0 | 0 | 112.1 | L20 F53 L116 A120 | L20-P55 HydrophobicContact CB-CG 4.44Å; L20-P55 HydrophobicContact CD2-CG 4.1Å; F53-P55 HydrophobicContact CE2-CB 4.19Å; F53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-L116 HydrophobicContact CB-CD1 4.34Å; P55-L116 HydrophobicContact CG-CD1 4.16Å; P55-A120 HydrophobicContact CB-CB 3.46Å; P55-A120 VanDerWaalsContact CB-CB 3.46Å; P55-A120 HydrophobicContact CG-CB 3.96Å | ||
| 56 | T | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | trans | -119.6 | 154.8 | 172.9 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | G119 Q123 | T56-G119 CarbonylContact O-C 3.58Å; T56-G119 VanDerWaalsContact O-CA 3.31Å; T56-G119 WeakPolarHBondContact O-CA 3.5Å; T56-Q123 PolarHBondContact OG1-NE2 3.44Å | ||
| 57 | S | 98.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 140.6 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | T115 | S57-T115 WeakPolarHBondContact CA-O 3.19Š|
| 58 | A | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E62 L63 T115 T118 I122 | A58-E62 VanDerWaalsContact CA-OE2 3.28Å; A58-E62 WeakPolarHBondContact CA-OE2 3.34Å; A58-E62 HydrophobicContact CB-CB 4.41Å; A58-L63 HydrophobicContact CB-CD2 3.89Å; A58-L63 HydrophobicContact CB-CG 4.09Å; A58-T115 PolarHBondContact N-O 3.41Å; A58-T118 HydrophobicContact CB-CG2 4.15Å; A58-I122 HydrophobicContact CB-CD1 4.16Å |
| 59 | S | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 162 | 173.8 | 92 | 0 | 0 | 0 | 0 | 111.4 | E61 E62 L63 | S59-E61 WeakPolarHBondContact CB-OE2 2.93Å; S59-E61 PolarHBondContact O-N 3.35Å; S59-E61 PolarHBondContact OG-N 3.15Å; S59-E61 PolarHBondContact OG-OE2 3.02Å; S59-E62 PolarHBondContact N-OE2 2.85Å; S59-E62 PolarHBondContact O-N 2.98Å; S59-E62 VanDerWaalsContact O-N 3.17Å; S59-E62 PolarHBondContact OG-N 3.1Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 3.32Å |
| 60 | K | 97.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.4 | -35.6 | 174.5 | -75.3 | -173.6 | 174.6 | -172.2 | 0 | 111.4 | L63 A64 V72 E73 H76 Y111 | K60-L63 PolarHBondContact O-N 2.86Å; K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 2.65Å; K60-V72 HydrophobicContact CG-CG1 4.16Å; K60-E73 IonicContact NZ-OE1 3.85Å; K60-E73 PolarHBondContact NZ-OE1 3.04Å; K60-E73 IonicContact NZ-OE2 2.93Å; K60-E73 PolarHBondContact NZ-OE2 2.85Å; K60-H76 PolarHBondContact NZ-ND1 2.99Å; K60-Y111 WeakPolarHBondContact CG-OH 3.37Å |
| 61 | E | 97.3 | Very high | 97.8 | Very high | 138 Ų | 138 | 56.7 Ų | 56.7 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 177.5 | -57 | 72.8 | -157.3 | 0 | 0 | 112 | S59 A64 Y65 | S59-E61 WeakPolarHBondContact CB-OE2 2.93Å; S59-E61 PolarHBondContact O-N 3.35Å; S59-E61 PolarHBondContact OG-N 3.15Å; S59-E61 PolarHBondContact OG-OE2 3.02Å; E61-A64 PolarHBondContact O-N 2.93Å; E61-Y65 PolarHBondContact O-N 3.21Å |
| 62 | E | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.9 | -71.3 | 177.3 | 131.5 | 0 | 0 | 111.3 | A58 S59 Y65 I122 L162 | A58-E62 VanDerWaalsContact CA-OE2 3.28Å; A58-E62 WeakPolarHBondContact CA-OE2 3.34Å; A58-E62 HydrophobicContact CB-CB 4.41Å; S59-E62 PolarHBondContact N-OE2 2.85Å; S59-E62 PolarHBondContact O-N 2.98Å; S59-E62 VanDerWaalsContact O-N 3.17Å; S59-E62 PolarHBondContact OG-N 3.1Å; E62-Y65 VanDerWaalsContact O-CB 3.32Å; E62-Y65 WeakPolarHBondContact O-CB 3.35Å; E62-Y65 PolarHBondContact O-N 2.79Å; E62-I122 HydrophobicContact CB-CD1 4.03Å; E62-L162 VanDerWaalsContact O-CD2 3.26Å; E62-L162 WeakPolarHBondContact O-CD2 3.28Å |
| 63 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.4 | -62.8 | 169.9 | 0 | 0 | 0 | 111.7 | A58 S59 K60 Y65 F66 H67 V72 Y111 T115 T118 F157 L162 | A58-L63 HydrophobicContact CB-CD2 3.89Å; A58-L63 HydrophobicContact CB-CG 4.09Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 3.32Å; K60-L63 PolarHBondContact O-N 2.86Å; L63-Y65 PolarHBondContact O-N 3.03Å; L63-Y65 VanDerWaalsContact O-N 3.15Å; L63-F66 PolarHBondContact O-N 2.96Å; L63-H67 PolarHBondContact O-N 3.09Å; L63-V72 HydrophobicContact CB-CG1 4.27Å; L63-V72 HydrophobicContact CB-CG2 3.94Å; L63-V72 HydrophobicContact CD1-CG1 3.96Å; L63-Y111 HydrophobicContact CD1-CE2 4.42Å; L63-T115 HydrophobicContact CD1-CG2 3.72Å; L63-T118 HydrophobicContact CD2-CG2 3.77Å; L63-F157 HydrophobicContact CD1-CE1 3.94Å; L63-F157 HydrophobicContact CD1-CZ 4.04Å; L63-F157 HydrophobicContact CD2-CD1 3.79Å; L63-F157 HydrophobicContact CD2-CE1 4.05Å; L63-F157 HydrophobicContact CD2-CG 4.1Å; L63-F157 HydrophobicContact CG-CE1 4.42Å; L63-L162 HydrophobicContact CD2-CD1 4.12Å |
| 64 | A | 97.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 54 Ų | 54 | 31% | 0.314 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K60 E61 F66 H67 | K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 2.65Å; E61-A64 PolarHBondContact O-N 2.93Å; A64-F66 PolarHBondContact O-N 3.01Å; A64-H67 WeakPolarHBondContact CA-O 3.32Å |
| 65 | Y | 96.6 | Very high | 97.3 | Very high | 167 Ų | 167 | 47.5 Ų | 47.5 | 66% | 0.655 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.1 | 172 | -134.1 | -101.9 | 0 | 0 | 0 | 112.4 | E61 E62 L63 L165 | E61-Y65 PolarHBondContact O-N 3.21Å; E62-Y65 VanDerWaalsContact O-CB 3.32Å; E62-Y65 WeakPolarHBondContact O-CB 3.35Å; E62-Y65 PolarHBondContact O-N 2.79Å; L63-Y65 PolarHBondContact O-N 3.03Å; L63-Y65 VanDerWaalsContact O-N 3.15Å; Y65-L165 HydrophobicContact CD1-CB 4.35Å; Y65-L165 HydrophobicContact CD1-CD1 4.2Å |
| 66 | F | 97.4 | Very high | 97.2 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -54.1 | 171.9 | 172.9 | -120.7 | 0 | 0 | 0 | 111.5 | L63 A64 R148 N158 V161 L162 L165 A192 | L63-F66 PolarHBondContact O-N 2.96Å; A64-F66 PolarHBondContact O-N 3.01Å; F66-R148 HydrophobicContact CE2-CB 4.2Å; F66-R148 HydrophobicContact CZ-CB 4.16Å; F66-R148 VanDerWaalsContact O-CG 3.31Å; F66-R148 WeakPolarHBondContact O-CG 3.43Å; F66-R148 PolarHBondContact O-NE 2.93Å; F66-N158 HydrophobicContact CD1-CB 4.09Å; F66-N158 HydrophobicContact CE1-CB 3.73Å; F66-V161 HydrophobicContact CB-CG1 4.01Å; F66-V161 HydrophobicContact CD1-CB 4.25Å; F66-V161 HydrophobicContact CD1-CG1 4.01Å; F66-V161 HydrophobicContact CD2-CG1 3.58Å; F66-V161 HydrophobicContact CE1-CB 4.41Å; F66-V161 HydrophobicContact CE1-CG1 4.37Å; F66-V161 HydrophobicContact CE1-CG2 4.46Å; F66-V161 HydrophobicContact CE2-CG1 3.97Å; F66-V161 HydrophobicContact CG-CB 4.33Å; F66-V161 HydrophobicContact CG-CG1 3.59Å; F66-V161 HydrophobicContact CZ-CG1 4.35Å; F66-V161 HydrophobicContact CZ-CG2 4.37Å; F66-L162 HydrophobicContact CB-CD2 3.72Å; F66-L162 HydrophobicContact CB-CG 4.26Å; F66-L165 HydrophobicContact CB-CD1 4.1Å; F66-A192 HydrophobicContact CE2-CB 3.84Å; F66-A192 HydrophobicContact CZ-CB 4.33Å |
| 67 | H | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -72.7 | 152.1 | -173.2 | -66.1 | -73.9 | 0 | 0 | 0 | 112.3 | L63 A64 Y71 V72 R147 R148 F157 N158 | L63-H67 PolarHBondContact O-N 3.09Å; A64-H67 WeakPolarHBondContact CA-O 3.32Å; H67-Y71 HydrophobicContact CB-CD1 4.23Å; H67-Y71 AromaticContact ND1-CD1 3.92Å; H67-Y71 AromaticContact ND1-CE1 3.83Å; H67-V72 HydrophobicContact CB-CG2 3.7Å; H67-R147 PolarHBondContact CE1-O 3.41Å; H67-R147 PolarHBondContact ND1-O 3.06Å; H67-R148 CarbonylContact C-O 3.5Å; H67-R148 WeakPolarHBondContact CA-O 3.41Å; H67-R148 PolarHBondContact ND1-O 3.31Å; H67-F157 AromaticContact CD2-CD1 3.79Å; H67-F157 WeakPolarHBondContact NE2-CA 3.35Å; H67-F157 AromaticContact NE2-CD1 3.86Å; H67-N158 PolarHBondContact CE1-N 2.89Å; H67-N158 PolarHBondContact NE2-N 2.93Å |
| 68 | S | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | trans | -72.1 | 142.6 | 173.3 | 66 | 0 | 0 | 0 | 0 | 111 | D70 Y71 V72 R148 S149 | S68-D70 VanDerWaalsContact C-N 3.27Å; S68-D70 WeakPolarHBondContact CB-OD1 3.36Å; S68-D70 PolarHBondContact O-N 3.04Å; S68-D70 PolarHBondContact OG-OD1 3.16Å; S68-Y71 PolarHBondContact O-N 3.07Å; S68-Y71 VanDerWaalsContact O-N 3.15Å; S68-Y71 VanDerWaalsContact OG-CB 3.32Å; S68-Y71 WeakPolarHBondContact OG-CB 3.31Å; S68-V72 WeakPolarHBondContact O-CG2 3.34Å; S68-V72 PolarHBondContact O-N 3.11Å; S68-R148 PolarHBondContact N-O 3.33Å; S68-S149 VanDerWaalsContact CB-OG 3.22Å; S68-S149 WeakPolarHBondContact CB-OG 3.27Å; S68-S149 WeakPolarHBondContact OG-CB 3.22Å; S68-S149 PolarHBondContact OG-OG 3.42Å | ||
| 69 | S | 96.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 46.4 Ų | 46.4 | 60% | 0.601 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63 | -33.6 | -174.5 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | V72 E73 | S69-V72 PolarHBondContact O-N 2.98Å; S69-E73 WeakPolarHBondContact O-CB 3.5Å; S69-E73 PolarHBondContact O-N 3.37Å |
| 70 | D | 96.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.8 | -42 | 174 | 56.5 | -17 | 0 | 0 | 0 | 112.3 | S68 E73 F74 F98 | S68-D70 VanDerWaalsContact C-N 3.27Å; S68-D70 WeakPolarHBondContact CB-OD1 3.36Å; S68-D70 PolarHBondContact O-N 3.04Å; S68-D70 PolarHBondContact OG-OD1 3.16Å; D70-E73 PolarHBondContact O-N 2.8Å; D70-F74 WeakPolarHBondContact O-CB 3.33Å; D70-F74 PolarHBondContact O-N 3.01Å; D70-F98 HydrophobicContact CB-CZ 4.37Å |
| 71 | Y | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.8 | 177.4 | -112.1 | 0 | 0 | 0 | 112 | H67 S68 E73 F74 L75 F98 A151 Y156 | H67-Y71 HydrophobicContact CB-CD1 4.23Å; H67-Y71 AromaticContact ND1-CD1 3.92Å; H67-Y71 AromaticContact ND1-CE1 3.83Å; S68-Y71 PolarHBondContact O-N 3.07Å; S68-Y71 VanDerWaalsContact O-N 3.15Å; S68-Y71 VanDerWaalsContact OG-CB 3.32Å; S68-Y71 WeakPolarHBondContact OG-CB 3.31Å; Y71-E73 VanDerWaalsContact C-N 3.34Å; Y71-E73 PolarHBondContact O-N 3.21Å; Y71-F74 WeakPolarHBondContact O-CB 3.28Å; Y71-F74 PolarHBondContact O-N 3.11Å; Y71-L75 HydrophobicContact CD1-CD1 4.34Å; Y71-L75 HydrophobicContact CE1-CD1 3.65Å; Y71-L75 HydrophobicContact CE1-CG 4.41Å; Y71-L75 HydrophobicContact CE2-CD1 4.14Å; Y71-L75 HydrophobicContact CE2-CD2 4.37Å; Y71-L75 HydrophobicContact CE2-CG 4.13Å; Y71-L75 PolarHBondContact O-N 3.17Å; Y71-F98 HydrophobicContact CD2-CB 3.95Å; Y71-F98 AromaticContact CD2-CD1 3.74Å; Y71-F98 HydrophobicContact CD2-CD1 3.74Å; Y71-F98 HydrophobicContact CD2-CD2 4.38Å; Y71-F98 HydrophobicContact CD2-CE1 4.28Å; Y71-F98 AromaticContact CD2-CG 3.78Å; Y71-F98 HydrophobicContact CD2-CG 3.78Å; Y71-F98 HydrophobicContact CE2-CB 4.06Å; Y71-F98 HydrophobicContact CE2-CG 4.4Å; Y71-A151 VanDerWaalsContact OH-CA 3.29Å; Y71-A151 WeakPolarHBondContact OH-CA 3.24Å; Y71-A151 VanDerWaalsContact OH-CB 3.28Å; Y71-A151 WeakPolarHBondContact OH-CB 3.4Å; Y71-A151 PolarHBondContact OH-N 2.9Å; Y71-Y156 VanDerWaalsContact CE1-O 3.32Å; Y71-Y156 WeakPolarHBondContact CE1-O 3.42Å; Y71-Y156 PolarHBondContact OH-O 3.41Å |
| 72 | V | 97.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.2 | 176 | 0 | 0 | 0 | 0 | 111.1 | K60 L63 H67 S68 S69 L75 H76 Y111 F157 | K60-V72 HydrophobicContact CG-CG1 4.16Å; L63-V72 HydrophobicContact CB-CG1 4.27Å; L63-V72 HydrophobicContact CB-CG2 3.94Å; L63-V72 HydrophobicContact CD1-CG1 3.96Å; H67-V72 HydrophobicContact CB-CG2 3.7Å; S68-V72 WeakPolarHBondContact O-CG2 3.34Å; S68-V72 PolarHBondContact O-N 3.11Å; S69-V72 PolarHBondContact O-N 2.98Å; V72-L75 PolarHBondContact O-N 2.89Å; V72-H76 WeakPolarHBondContact O-CB 3.21Å; V72-H76 PolarHBondContact O-N 3.43Å; V72-Y111 HydrophobicContact CG1-CE2 4.4Å; V72-F157 HydrophobicContact CG2-CE1 4.38Å |
| 73 | E | 95.6 | Very high | 93.7 | Very high | 90 Ų | 90 | 53.4 Ų | 53.4 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 177.9 | -163.1 | 61.3 | -127.1 | 0 | 0 | 112 | K60 S69 D70 Y71 H76 S77 | K60-E73 IonicContact NZ-OE1 3.85Å; K60-E73 PolarHBondContact NZ-OE1 3.04Å; K60-E73 IonicContact NZ-OE2 2.93Å; K60-E73 PolarHBondContact NZ-OE2 2.85Å; S69-E73 WeakPolarHBondContact O-CB 3.5Å; S69-E73 PolarHBondContact O-N 3.37Å; D70-E73 PolarHBondContact O-N 2.8Å; Y71-E73 VanDerWaalsContact C-N 3.34Å; Y71-E73 PolarHBondContact O-N 3.21Å; E73-H76 WeakPolarHBondContact O-CB 3.43Å; E73-H76 PolarHBondContact O-N 3.41Å; E73-H76 IonicContact OE1-CE1 3.84Å; E73-H76 IonicContact OE1-CG 2.87Å; E73-H76 IonicContact OE1-ND1 3.97Å; E73-H76 PolarHBondContact OE1-ND1 3.03Å; E73-S77 PolarHBondContact O-N 3Å |
| 74 | F | 95.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 173.7 | 171.9 | -93.7 | 0 | 0 | 0 | 111.5 | D70 Y71 H76 S77 S78 L88 F98 V100 L106 | D70-F74 WeakPolarHBondContact O-CB 3.33Å; D70-F74 PolarHBondContact O-N 3.01Å; Y71-F74 WeakPolarHBondContact O-CB 3.28Å; Y71-F74 PolarHBondContact O-N 3.11Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 PolarHBondContact O-N 2.83Å; F74-S77 WeakPolarHBondContact O-CB 3.28Å; F74-S77 PolarHBondContact O-N 3Å; F74-S77 VanDerWaalsContact O-N 3.1Å; F74-S77 PolarHBondContact O-OG 3.37Å; F74-S78 PolarHBondContact O-N 3.09Å; F74-L88 HydrophobicContact CD2-CD1 3.95Å; F74-L88 HydrophobicContact CE2-CD1 3.38Å; F74-L88 HydrophobicContact CE2-CG 3.77Å; F74-L88 WeakPolarHBondContact CE2-O 3.38Å; F74-L88 HydrophobicContact CZ-CD1 4.04Å; F74-L88 HydrophobicContact CZ-CG 3.9Å; F74-L88 WeakPolarHBondContact CZ-O 3.33Å; F74-F98 HydrophobicContact CB-CD2 3.79Å; F74-F98 HydrophobicContact CB-CE2 3.49Å; F74-F98 VanDerWaalsContact CB-CE2 3.49Å; F74-F98 HydrophobicContact CB-CZ 4.42Å; F74-F98 HydrophobicContact CD1-CB 4.43Å; F74-F98 AromaticContact CD1-CD2 3.57Å; F74-F98 HydrophobicContact CD1-CD2 3.57Å; F74-F98 HydrophobicContact CD1-CE2 4.21Å; F74-F98 HydrophobicContact CD1-CG 4.36Å; F74-F98 AromaticContact CD2-CD2 3.72Å; F74-F98 HydrophobicContact CD2-CD2 3.72Å; F74-F98 AromaticContact CD2-CE2 3.88Å; F74-F98 HydrophobicContact CD2-CE2 3.88Å; F74-F98 HydrophobicContact CE1-CB 4.45Å; F74-F98 HydrophobicContact CE1-CD2 4.1Å; F74-F98 HydrophobicContact CE2-CD2 4.21Å; F74-F98 AromaticContact CG-CD2 3.38Å; F74-F98 HydrophobicContact CG-CD2 3.38Å; F74-F98 AromaticContact CG-CE2 3.58Å; F74-F98 HydrophobicContact CG-CE2 3.58Å; F74-F98 HydrophobicContact CZ-CD2 4.4Å; F74-V100 HydrophobicContact CE1-CB 4.42Å; F74-V100 HydrophobicContact CE1-CG1 3.9Å; F74-V100 HydrophobicContact CE1-CG2 3.77Å; F74-V100 HydrophobicContact CZ-CG2 3.72Å; F74-L106 HydrophobicContact CE1-CD1 4.44Å; F74-L106 HydrophobicContact CZ-CD1 4.17Å |
| 75 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 177.1 | -68.7 | -177.3 | 0 | 0 | 0 | 111.9 | Y71 V72 S77 S78 V100 L106 L110 Y111 Y156 F157 | Y71-L75 HydrophobicContact CD1-CD1 4.34Å; Y71-L75 HydrophobicContact CE1-CD1 3.65Å; Y71-L75 HydrophobicContact CE1-CG 4.41Å; Y71-L75 HydrophobicContact CE2-CD1 4.14Å; Y71-L75 HydrophobicContact CE2-CD2 4.37Å; Y71-L75 HydrophobicContact CE2-CG 4.13Å; Y71-L75 PolarHBondContact O-N 3.17Å; V72-L75 PolarHBondContact O-N 2.89Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 3.16Å; L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 2.97Å; L75-S78 PolarHBondContact O-OG 3.35Å; L75-V100 HydrophobicContact CD2-CG1 4.32Å; L75-L106 HydrophobicContact CD2-CD2 4.29Å; L75-L110 HydrophobicContact CD2-CD2 4.03Å; L75-Y111 HydrophobicContact CB-CD2 4.14Å; L75-Y156 HydrophobicContact CD2-CD1 4.2Å; L75-F157 HydrophobicContact CB-CZ 4.14Å; L75-F157 HydrophobicContact CD1-CD1 4.32Å; L75-F157 HydrophobicContact CD1-CE1 3.66Å; L75-F157 HydrophobicContact CD1-CE2 3.98Å; L75-F157 HydrophobicContact CD1-CZ 3.47Å; L75-F157 VanDerWaalsContact CD1-CZ 3.47Å; L75-F157 HydrophobicContact CG-CZ 4.49Å |
| 76 | H | 95.3 | Very high | 93 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 174.4 | 177.2 | -109.3 | 0 | 0 | 0 | 112 | K60 V72 E73 F74 S78 S79 Y111 | K60-H76 PolarHBondContact NZ-ND1 2.99Å; V72-H76 WeakPolarHBondContact O-CB 3.21Å; V72-H76 PolarHBondContact O-N 3.43Å; E73-H76 WeakPolarHBondContact O-CB 3.43Å; E73-H76 PolarHBondContact O-N 3.41Å; E73-H76 IonicContact OE1-CE1 3.84Å; E73-H76 IonicContact OE1-CG 2.87Å; E73-H76 IonicContact OE1-ND1 3.97Å; E73-H76 PolarHBondContact OE1-ND1 3.03Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 PolarHBondContact O-N 2.83Å; H76-S78 PolarHBondContact O-N 3.44Å; H76-S79 PolarHBondContact O-N 3.19Å; H76-Y111 HydrophobicContact CB-CD2 3.9Å; H76-Y111 HydrophobicContact CB-CE1 4.41Å; H76-Y111 HydrophobicContact CB-CE2 3.61Å; H76-Y111 HydrophobicContact CB-CG 4.38Å; H76-Y111 AromaticContact CD2-CD1 3.81Å; H76-Y111 AromaticContact CD2-CE1 3.54Å; H76-Y111 AromaticContact CD2-CZ 3.81Å |
| 77 | S | 92.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -22.1 | 177.7 | 81.5 | 0 | 0 | 0 | 0 | 113.5 | E73 F74 L75 S79 E80 L88 | E73-S77 PolarHBondContact O-N 3Å; F74-S77 WeakPolarHBondContact O-CB 3.28Å; F74-S77 PolarHBondContact O-N 3Å; F74-S77 VanDerWaalsContact O-N 3.1Å; F74-S77 PolarHBondContact O-OG 3.37Å; L75-S77 VanDerWaalsContact C-N 3.29Å; L75-S77 PolarHBondContact O-N 3.16Å; S77-S79 PolarHBondContact O-N 3.29Å; S77-E80 WeakPolarHBondContact O-CB 3.38Å; S77-E80 PolarHBondContact O-N 3.26Å; S77-E80 VanDerWaalsContact O-N 3.11Å; S77-L88 WeakPolarHBondContact OG-CD2 3.28Å |
| 78 | S | 90 | Very high | 92.6 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.5 | 175.6 | 92.7 | 0 | 0 | 0 | 0 | 112.9 | F74 L75 H76 L85 | F74-S78 PolarHBondContact O-N 3.09Å; L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 2.97Å; L75-S78 PolarHBondContact O-OG 3.35Å; H76-S78 PolarHBondContact O-N 3.44Å; S78-L85 WeakPolarHBondContact O-CD2 3.13Å |
| 79 | S | 86.5 | Confident | 92.4 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.8 | 175.5 | -72 | 0 | 0 | 0 | 0 | 113.6 | H76 S77 S108 Y111 | H76-S79 PolarHBondContact O-N 3.19Å; S77-S79 PolarHBondContact O-N 3.29Å; S79-S108 PolarHBondContact OG-O 3.01Å; S79-Y111 WeakPolarHBondContact OG-CB 3.44Å |
| 80 | E | 88.8 | Confident | 92.2 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -68.3 | 134.3 | 176.9 | -72 | -178.6 | 170.3 | 0 | 0 | 111.8 | S77 N82 R83 | S77-E80 WeakPolarHBondContact O-CB 3.38Å; S77-E80 PolarHBondContact O-N 3.26Å; S77-E80 VanDerWaalsContact O-N 3.11Å; E80-N82 PolarHBondContact O-N 3.32Å; E80-R83 HydrophobicContact CB-CB 4.19Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.19Å |
| 81 | P | 83.3 | Confident | 92 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 75% | 0.747 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 135.6 | 175.1 | -22.9 | 32.4 | 0 | 0 | 0 | 111.6 | R83 | P81-R83 PolarHBondContact O-N 2.85Š|
| 82 | N | 84.2 | Confident | 91.7 | Very high | 171 Ų | 171 | 60.8 Ų | 60.8 | 91% | 0.914 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 10.1 | -180 | -45.5 | -59.5 | 0 | 0 | 0 | 115.7 | E80 N84 | E80-N82 PolarHBondContact O-N 3.32Å; N82-N84 PolarHBondContact O-N 3.01Å |
| 83 | R | 88.1 | Confident | 91.3 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | trans | -63.4 | 129.8 | 171 | -167.1 | 74.2 | -174.2 | -175.6 | 1.9 | 109.3 | E80 P81 L85 L88 E91 | E80-R83 HydrophobicContact CB-CB 4.19Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.19Å; P81-R83 PolarHBondContact O-N 2.85Å; R83-L85 PolarHBondContact O-N 3.45Å; R83-L88 HydrophobicContact CG-CB 4.44Å; R83-L88 HydrophobicContact CG-CD2 4Å; R83-E91 IonicContact NH2-OE1 3.67Å; R83-E91 IonicContact NH2-OE2 3.83Å; R83-E91 PolarHBondContact NH2-OE2 3.44Å | ||
| 84 | N | 92.8 | Very high | 90.8 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | trans | -77.6 | 105.1 | 171.4 | -176 | -32.9 | 0 | 0 | 0 | 108.4 | N82 E86 L87 L88 | N82-N84 PolarHBondContact O-N 3.01Å; N84-E86 PolarHBondContact O-N 2.89Å; N84-E86 PolarHBondContact OD1-N 2.74Å; N84-E86 VanDerWaalsContact OD1-N 3.13Å; N84-L87 HydrophobicContact CB-CB 4.11Å; N84-L87 HydrophobicContact CB-CD1 3.93Å; N84-L87 HydrophobicContact CB-CG 4.14Å; N84-L87 PolarHBondContact O-N 2.77Å; N84-L87 PolarHBondContact OD1-N 2.97Å; N84-L87 VanDerWaalsContact OD1-N 3.12Å; N84-L88 PolarHBondContact O-N 2.91Å | ||
| 85 | L | 93.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | -175.7 | -63.7 | -179.7 | 0 | 0 | 0 | 112.7 | S78 R83 L87 L88 E89 L106 | S78-L85 WeakPolarHBondContact O-CD2 3.13Å; R83-L85 PolarHBondContact O-N 3.45Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.87Å; L85-L88 PolarHBondContact O-N 3.19Å; L85-E89 WeakPolarHBondContact O-CB 3.26Å; L85-E89 VanDerWaalsContact O-CG 3.32Å; L85-E89 WeakPolarHBondContact O-CG 3.47Å; L85-E89 PolarHBondContact O-N 2.93Å; L85-L106 HydrophobicContact CB-CB 4.34Å; L85-L106 HydrophobicContact CD2-CB 4.25Å |
| 86 | E | 92.4 | Very high | 90 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.8 | -166.1 | -170.2 | 158.6 | 0 | 0 | 111.3 | N84 R90 | N84-E86 PolarHBondContact O-N 2.89Å; N84-E86 PolarHBondContact OD1-N 2.74Å; N84-E86 VanDerWaalsContact OD1-N 3.13Å; E86-R90 WeakPolarHBondContact O-CG 3.45Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.76Å; E86-R90 IonicContact OE1-NE 3.41Å; E86-R90 IonicContact OE1-NH2 3.79Å; E86-R90 PolarHBondContact OE1-NH2 3.17Å |
| 87 | L | 93.2 | Very high | 89.8 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 55% | 0.55 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 173.3 | -69.2 | 178.4 | 0 | 0 | 0 | 111.7 | N84 L85 R90 E91 | N84-L87 HydrophobicContact CB-CB 4.11Å; N84-L87 HydrophobicContact CB-CD1 3.93Å; N84-L87 HydrophobicContact CB-CG 4.14Å; N84-L87 PolarHBondContact O-N 2.77Å; N84-L87 PolarHBondContact OD1-N 2.97Å; N84-L87 VanDerWaalsContact OD1-N 3.12Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.87Å; L87-R90 PolarHBondContact O-N 3.17Å; L87-E91 WeakPolarHBondContact O-CB 3.43Å; L87-E91 PolarHBondContact O-N 2.89Å |
| 88 | L | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.8 | -177.2 | 65.3 | 0 | 0 | 0 | 112 | F74 S77 R83 N84 L85 E91 G92 L106 | F74-L88 HydrophobicContact CD2-CD1 3.95Å; F74-L88 HydrophobicContact CE2-CD1 3.38Å; F74-L88 HydrophobicContact CE2-CG 3.77Å; F74-L88 WeakPolarHBondContact CE2-O 3.38Å; F74-L88 HydrophobicContact CZ-CD1 4.04Å; F74-L88 HydrophobicContact CZ-CG 3.9Å; F74-L88 WeakPolarHBondContact CZ-O 3.33Å; S77-L88 WeakPolarHBondContact OG-CD2 3.28Å; R83-L88 HydrophobicContact CG-CB 4.44Å; R83-L88 HydrophobicContact CG-CD2 4Å; N84-L88 PolarHBondContact O-N 2.91Å; L85-L88 PolarHBondContact O-N 3.19Å; L88-E91 PolarHBondContact O-N 3.34Å; L88-G92 PolarHBondContact O-N 2.94Å; L88-L106 HydrophobicContact CB-CD1 4.07Å; L88-L106 HydrophobicContact CD2-CD1 3.67Å; L88-L106 HydrophobicContact CG-CD1 3.7Å |
| 89 | E | 92.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 78.2 Ų | 78.2 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 171.8 | -79.5 | 175.1 | 158.1 | 0 | 0 | 110.8 | L85 E91 G92 E93 P105 L106 | L85-E89 WeakPolarHBondContact O-CB 3.26Å; L85-E89 VanDerWaalsContact O-CG 3.32Å; L85-E89 WeakPolarHBondContact O-CG 3.47Å; L85-E89 PolarHBondContact O-N 2.93Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.87Å; E89-G92 PolarHBondContact O-N 3.42Å; E89-E93 WeakPolarHBondContact O-CB 3.3Å; E89-E93 PolarHBondContact O-N 3.04Å; E89-P105 VanDerWaalsContact OE1-CA 3.25Å; E89-P105 WeakPolarHBondContact OE1-CA 3.41Å; E89-L106 HydrophobicContact CG-CB 3.9Å; E89-L106 HydrophobicContact CG-CD1 3.73Å; E89-L106 HydrophobicContact CG-CG 3.58Å; E89-L106 PolarHBondContact OE1-N 2.88Å |
| 90 | R | 92.1 | Very high | 90.5 | Very high | 135 Ų | 135 | 76.1 Ų | 76.1 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 177.3 | -69.5 | 177.6 | -170.4 | -160.1 | 6.9 | 112.4 | E86 L87 L94 | E86-R90 WeakPolarHBondContact O-CG 3.45Å; E86-R90 PolarHBondContact O-N 2.91Å; E86-R90 IonicContact OE1-CZ 2.76Å; E86-R90 IonicContact OE1-NE 3.41Å; E86-R90 IonicContact OE1-NH2 3.79Å; E86-R90 PolarHBondContact OE1-NH2 3.17Å; L87-R90 PolarHBondContact O-N 3.17Å; R90-L94 VanDerWaalsContact O-CB 3.22Å; R90-L94 WeakPolarHBondContact O-CB 3.36Å; R90-L94 WeakPolarHBondContact O-CG 3.32Å; R90-L94 PolarHBondContact O-N 3.3Å |
| 91 | E | 91.5 | Very high | 90.6 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 174 | -178.3 | -178.3 | 178.7 | 0 | 0 | 110.5 | R83 L87 L88 E89 E93 E95 | R83-E91 IonicContact NH2-OE1 3.67Å; R83-E91 IonicContact NH2-OE2 3.83Å; R83-E91 PolarHBondContact NH2-OE2 3.44Å; L87-E91 WeakPolarHBondContact O-CB 3.43Å; L87-E91 PolarHBondContact O-N 2.89Å; L88-E91 PolarHBondContact O-N 3.34Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.87Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E91-E93 PolarHBondContact O-N 3.29Å; E91-E95 WeakPolarHBondContact O-CA 3.37Å; E91-E95 VanDerWaalsContact O-CB 3.24Å; E91-E95 WeakPolarHBondContact O-CB 3.46Å; E91-E95 PolarHBondContact O-N 2.85Å |
| 92 | G | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | I | π-helix | trans | -61.5 | -39 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L88 E89 H96 G97 F98 | L88-G92 PolarHBondContact O-N 2.94Å; E89-G92 PolarHBondContact O-N 3.42Å; G92-H96 CarbonylContact O-C 3.58Å; G92-G97 PolarHBondContact O-N 3.06Å; G92-F98 PolarHBondContact O-N 3.23Å |
| 93 | E | 88.8 | Confident | 91.2 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -74.7 | -53.8 | 179 | -171.7 | 178.7 | -169.1 | 0 | 0 | 112 | E89 E91 G97 | E89-E93 WeakPolarHBondContact O-CB 3.3Å; E89-E93 PolarHBondContact O-N 3.04Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E91-E93 PolarHBondContact O-N 3.29Å; E93-G97 WeakPolarHBondContact O-CA 3.38Å; E93-G97 PolarHBondContact O-N 3.41Å |
| 94 | L | 87 | Confident | 91.5 | Very high | 141 Ų | 141 | 67.4 Ų | 67.4 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | I | π-helix | trans | -82.4 | -36.4 | -170 | -62 | 174.1 | 0 | 0 | 0 | 113.6 | R90 | R90-L94 VanDerWaalsContact O-CB 3.22Å; R90-L94 WeakPolarHBondContact O-CB 3.36Å; R90-L94 WeakPolarHBondContact O-CG 3.32Å; R90-L94 PolarHBondContact O-N 3.3Å |
| 95 | E | 87.4 | Confident | 91.6 | Very high | 141 Ų | 141 | 66 Ų | 66 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -92.8 | -35 | -174.4 | -54.8 | -171.2 | -168.1 | 0 | 0 | 111.9 | E91 | E91-E95 WeakPolarHBondContact O-CA 3.37Å; E91-E95 VanDerWaalsContact O-CB 3.24Å; E91-E95 WeakPolarHBondContact O-CB 3.46Å; E91-E95 PolarHBondContact O-N 2.85Å |
| 96 | H | 86.4 | Confident | 91.6 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -114.1 | -22.1 | -172.2 | -60.7 | -63.9 | 0 | 0 | 0 | 114.7 | G92 F98 | G92-H96 CarbonylContact O-C 3.58Å; H96-F98 VanDerWaalsContact C-N 3.26Å; H96-F98 HydrophobicContact CB-CB 4.45Å; H96-F98 HydrophobicContact CB-CD1 3.78Å; H96-F98 HydrophobicContact CB-CD2 3.32Å; H96-F98 HydrophobicContact CB-CE1 3.8Å; H96-F98 HydrophobicContact CB-CE2 3.31Å; H96-F98 HydrophobicContact CB-CG 3.57Å; H96-F98 HydrophobicContact CB-CZ 3.58Å; H96-F98 AromaticContact CD2-CE2 3.66Å; H96-F98 AromaticContact CG-CD2 3.81Å; H96-F98 AromaticContact CG-CE2 3.37Å; H96-F98 AromaticContact CG-CZ 3.76Å; H96-F98 AromaticContact ND1-CE2 4Å; H96-F98 PolarHBondContact O-N 2.84Å |
| 97 | G | 91.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | trans | 65.9 | 27.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G92 E93 G99 Q150 | G92-G97 PolarHBondContact O-N 3.06Å; E93-G97 WeakPolarHBondContact O-CA 3.38Å; E93-G97 PolarHBondContact O-N 3.41Å; G97-G99 PolarHBondContact O-N 2.76Å; G97-G99 VanDerWaalsContact O-N 3.09Å; G97-Q150 PolarHBondContact O-NE2 3.27Å | ||
| 98 | F | 95.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | trans | -70.7 | 1.6 | -176.7 | -70.1 | -29.5 | 0 | 0 | 0 | 114.7 | D70 Y71 F74 G92 H96 V100 S149 Q150 A151 | D70-F98 HydrophobicContact CB-CZ 4.37Å; Y71-F98 HydrophobicContact CD2-CB 3.95Å; Y71-F98 AromaticContact CD2-CD1 3.74Å; Y71-F98 HydrophobicContact CD2-CD1 3.74Å; Y71-F98 HydrophobicContact CD2-CD2 4.38Å; Y71-F98 HydrophobicContact CD2-CE1 4.28Å; Y71-F98 AromaticContact CD2-CG 3.78Å; Y71-F98 HydrophobicContact CD2-CG 3.78Å; Y71-F98 HydrophobicContact CE2-CB 4.06Å; Y71-F98 HydrophobicContact CE2-CG 4.4Å; F74-F98 HydrophobicContact CB-CD2 3.79Å; F74-F98 HydrophobicContact CB-CE2 3.49Å; F74-F98 VanDerWaalsContact CB-CE2 3.49Å; F74-F98 HydrophobicContact CB-CZ 4.42Å; F74-F98 HydrophobicContact CD1-CB 4.43Å; F74-F98 AromaticContact CD1-CD2 3.57Å; F74-F98 HydrophobicContact CD1-CD2 3.57Å; F74-F98 HydrophobicContact CD1-CE2 4.21Å; F74-F98 HydrophobicContact CD1-CG 4.36Å; F74-F98 AromaticContact CD2-CD2 3.72Å; F74-F98 HydrophobicContact CD2-CD2 3.72Å; F74-F98 AromaticContact CD2-CE2 3.88Å; F74-F98 HydrophobicContact CD2-CE2 3.88Å; F74-F98 HydrophobicContact CE1-CB 4.45Å; F74-F98 HydrophobicContact CE1-CD2 4.1Å; F74-F98 HydrophobicContact CE2-CD2 4.21Å; F74-F98 AromaticContact CG-CD2 3.38Å; F74-F98 HydrophobicContact CG-CD2 3.38Å; F74-F98 AromaticContact CG-CE2 3.58Å; F74-F98 HydrophobicContact CG-CE2 3.58Å; F74-F98 HydrophobicContact CZ-CD2 4.4Å; G92-F98 PolarHBondContact O-N 3.23Å; H96-F98 VanDerWaalsContact C-N 3.26Å; H96-F98 HydrophobicContact CB-CB 4.45Å; H96-F98 HydrophobicContact CB-CD1 3.78Å; H96-F98 HydrophobicContact CB-CD2 3.32Å; H96-F98 HydrophobicContact CB-CE1 3.8Å; H96-F98 HydrophobicContact CB-CE2 3.31Å; H96-F98 HydrophobicContact CB-CG 3.57Å; H96-F98 HydrophobicContact CB-CZ 3.58Å; H96-F98 AromaticContact CD2-CE2 3.66Å; H96-F98 AromaticContact CG-CD2 3.81Å; H96-F98 AromaticContact CG-CE2 3.37Å; H96-F98 AromaticContact CG-CZ 3.76Å; H96-F98 AromaticContact ND1-CE2 4Å; H96-F98 PolarHBondContact O-N 2.84Å; F98-V100 VanDerWaalsContact C-N 3.27Å; F98-V100 PolarHBondContact O-N 2.75Å; F98-S149 WeakPolarHBondContact CD1-O 3.44Å; F98-Q150 CarbonylContact O-C 3.45Å; F98-Q150 WeakPolarHBondContact O-CA 3.44Å; F98-A151 PolarHBondContact O-N 3.29Å | ||
| 99 | G | 94.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | 68.2 | 24.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G97 C104 | G97-G99 PolarHBondContact O-N 2.76Å; G97-G99 VanDerWaalsContact O-N 3.09Å; G99-C104 WeakPolarHBondContact O-CB 3.36Å | ||
| 100 | V | 93.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | trans | -92.9 | 153.6 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | F74 L75 F98 C104 L106 A151 | F74-V100 HydrophobicContact CE1-CB 4.42Å; F74-V100 HydrophobicContact CE1-CG1 3.9Å; F74-V100 HydrophobicContact CE1-CG2 3.77Å; F74-V100 HydrophobicContact CZ-CG2 3.72Å; L75-V100 HydrophobicContact CD2-CG1 4.32Å; F98-V100 VanDerWaalsContact C-N 3.27Å; F98-V100 PolarHBondContact O-N 2.75Å; V100-C104 WeakPolarHBondContact CA-O 3.33Å; V100-L106 HydrophobicContact CB-CD2 4.15Å; V100-L106 HydrophobicContact CB-CG 4.3Å; V100-L106 HydrophobicContact CG1-CD2 3.9Å; V100-A151 HydrophobicContact CG1-CB 4.13Å | ||
| 101 | G | 89.7 | Confident | 91.9 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | 100.6 | 173 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D103 C104 | G101-D103 PolarHBondContact O-N 3.17Å; G101-C104 PolarHBondContact N-O 3.48Å; G101-C104 CarbonylContact O-C 3.46Å; G101-C104 PolarHBondContact O-N 2.79Å |
| 102 | Y | 89.5 | Confident | 92.1 | Very high | 233 Ų | 233 | 53.7 Ų | 53.7 | 91% | 0.914 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | -94.8 | -178.1 | -168 | -112.5 | 0 | 0 | 0 | 115.1 | ||
| 103 | D | 91.5 | Very high | 92.4 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -21.6 | 178.5 | 64.1 | -35.9 | 0 | 0 | 0 | 112.8 | G101 P105 G153 F154 | G101-D103 PolarHBondContact O-N 3.17Å; D103-P105 VanDerWaalsContact O-CD 3.29Å; D103-P105 WeakPolarHBondContact O-CD 3.34Å; D103-G153 WeakPolarHBondContact OD2-CA 3.32Å; D103-G153 PolarHBondContact OD2-N 2.79Å; D103-F154 HydrophobicContact CB-CE1 4.25Å; D103-F154 WeakPolarHBondContact O-CD1 3.49Å; D103-F154 WeakPolarHBondContact O-CE1 3.39Å |
| 104 | C | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -118.5 | 61.8 | 176.4 | -77.4 | 0 | 0 | 0 | 0 | 112.3 | G99 V100 G101 A151 F154 Y156 | G99-C104 WeakPolarHBondContact O-CB 3.36Å; V100-C104 WeakPolarHBondContact CA-O 3.33Å; G101-C104 PolarHBondContact N-O 3.48Å; G101-C104 CarbonylContact O-C 3.46Å; G101-C104 PolarHBondContact O-N 2.79Å; C104-A151 HydrophobicContact CB-CB 3.79Å; C104-F154 PolarHBondContact SG-N 2.96Å; C104-F154 VanDerWaalsContact SG-N 3.37Å; C104-Y156 WeakPolarHBondContact CA-OH 3.27Å; C104-Y156 HydrophobicContact CB-CE1 3.76Å; C104-Y156 PolarHBondContact O-OH 2.79Å |
| 105 | P | 93.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | trans | -68.5 | 137.6 | 180 | 30.9 | -35.7 | 0 | 0 | 0 | 112.2 | E89 D103 F107 Y156 | E89-P105 VanDerWaalsContact OE1-CA 3.25Å; E89-P105 WeakPolarHBondContact OE1-CA 3.41Å; D103-P105 VanDerWaalsContact O-CD 3.29Å; D103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-F107 WeakPolarHBondContact O-CD1 3.33Å; P105-Y156 PolarHBondContact O-OH 3.23Å | ||
| 106 | L | 94.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -71.2 | 137.3 | 173.9 | -62.3 | -175.5 | 0 | 0 | 0 | 110.8 | F74 L75 L85 L88 E89 V100 L110 | F74-L106 HydrophobicContact CE1-CD1 4.44Å; F74-L106 HydrophobicContact CZ-CD1 4.17Å; L75-L106 HydrophobicContact CD2-CD2 4.29Å; L85-L106 HydrophobicContact CB-CB 4.34Å; L85-L106 HydrophobicContact CD2-CB 4.25Å; L88-L106 HydrophobicContact CB-CD1 4.07Å; L88-L106 HydrophobicContact CD2-CD1 3.67Å; L88-L106 HydrophobicContact CG-CD1 3.7Å; E89-L106 HydrophobicContact CG-CB 3.9Å; E89-L106 HydrophobicContact CG-CD1 3.73Å; E89-L106 HydrophobicContact CG-CG 3.58Å; E89-L106 PolarHBondContact OE1-N 2.88Å; V100-L106 HydrophobicContact CB-CD2 4.15Å; V100-L106 HydrophobicContact CB-CG 4.3Å; V100-L106 HydrophobicContact CG1-CD2 3.9Å; L106-L110 HydrophobicContact CD2-CD2 3.39Å | ||
| 107 | F | 92.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | trans | -136 | 155.4 | 171.6 | 55.2 | -86.3 | 0 | 0 | 0 | 110.3 | V27 P105 S109 L110 Y113 Y156 | V27-F107 HydrophobicContact CG2-CE2 4.24Å; V27-F107 HydrophobicContact CG2-CZ 3.8Å; P105-F107 WeakPolarHBondContact O-CD1 3.33Å; F107-S109 WeakPolarHBondContact CD2-OG 3.39Å; F107-S109 PolarHBondContact O-N 3.4Å; F107-S109 VanDerWaalsContact O-N 3.15Å; F107-L110 HydrophobicContact CD1-CB 4.16Å; F107-L110 HydrophobicContact CD1-CD1 4.2Å; F107-L110 HydrophobicContact CD2-CB 3.99Å; F107-L110 VanDerWaalsContact CD2-N 3.35Å; F107-L110 HydrophobicContact CE1-CB 4.07Å; F107-L110 HydrophobicContact CE1-CD1 3.43Å; F107-L110 VanDerWaalsContact CE1-CD1 3.43Å; F107-L110 HydrophobicContact CE1-CG 4.31Å; F107-L110 HydrophobicContact CE2-CB 3.91Å; F107-L110 HydrophobicContact CE2-CD1 4.3Å; F107-L110 HydrophobicContact CG-CB 4.11Å; F107-L110 HydrophobicContact CZ-CB 3.93Å; F107-L110 HydrophobicContact CZ-CD1 3.48Å; F107-L110 VanDerWaalsContact CZ-CD1 3.48Å; F107-L110 HydrophobicContact CZ-CG 4.34Å; F107-L110 WeakPolarHBondContact O-CB 3.48Å; F107-L110 PolarHBondContact O-N 2.68Å; F107-Y113 HydrophobicContact CE2-CD1 4.36Å; F107-Y113 AromaticContact CZ-CD1 3.85Å; F107-Y113 HydrophobicContact CZ-CD1 3.85Å; F107-Y113 HydrophobicContact CZ-CE1 4.4Å; F107-Y113 HydrophobicContact CZ-CG 4.44Å; F107-Y156 HydrophobicContact CE1-CE2 4.36Å | ||
| 108 | S | 90.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 30 Ų | 30 | 64% | 0.643 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.4 | -169.2 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | S79 | S79-S108 PolarHBondContact OG-O 3.01Š|
| 109 | S | 93.9 | Very high | 95 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.1 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | T26 F107 Y111 A112 Y113 | T26-S109 WeakPolarHBondContact CB-OG 3.39Å; T26-S109 PolarHBondContact OG1-OG 2.77Å; F107-S109 WeakPolarHBondContact CD2-OG 3.39Å; F107-S109 PolarHBondContact O-N 3.4Å; F107-S109 VanDerWaalsContact O-N 3.15Å; S109-Y111 PolarHBondContact O-N 2.91Å; S109-A112 PolarHBondContact O-N 3.47Å; S109-Y113 WeakPolarHBondContact O-CB 3.4Å; S109-Y113 PolarHBondContact O-N 3.45Å |
| 110 | L | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.5 | -53.3 | -172.7 | 173.8 | 67.3 | 0 | 0 | 0 | 113 | L75 L106 F107 A112 Y113 G114 Y156 | L75-L110 HydrophobicContact CD2-CD2 4.03Å; L106-L110 HydrophobicContact CD2-CD2 3.39Å; F107-L110 HydrophobicContact CD1-CB 4.16Å; F107-L110 HydrophobicContact CD1-CD1 4.2Å; F107-L110 HydrophobicContact CD2-CB 3.99Å; F107-L110 VanDerWaalsContact CD2-N 3.35Å; F107-L110 HydrophobicContact CE1-CB 4.07Å; F107-L110 HydrophobicContact CE1-CD1 3.43Å; F107-L110 VanDerWaalsContact CE1-CD1 3.43Å; F107-L110 HydrophobicContact CE1-CG 4.31Å; F107-L110 HydrophobicContact CE2-CB 3.91Å; F107-L110 HydrophobicContact CE2-CD1 4.3Å; F107-L110 HydrophobicContact CG-CB 4.11Å; F107-L110 HydrophobicContact CZ-CB 3.93Å; F107-L110 HydrophobicContact CZ-CD1 3.48Å; F107-L110 VanDerWaalsContact CZ-CD1 3.48Å; F107-L110 HydrophobicContact CZ-CG 4.34Å; F107-L110 WeakPolarHBondContact O-CB 3.48Å; F107-L110 PolarHBondContact O-N 2.68Å; L110-A112 PolarHBondContact O-N 3.4Å; L110-Y113 PolarHBondContact O-N 3.04Å; L110-G114 PolarHBondContact O-N 2.69Å; L110-Y156 HydrophobicContact CD1-CD1 3.76Å; L110-Y156 HydrophobicContact CD1-CD2 3.45Å; L110-Y156 VanDerWaalsContact CD1-CD2 3.45Å; L110-Y156 HydrophobicContact CD1-CE1 3.79Å; L110-Y156 HydrophobicContact CD1-CE2 3.49Å; L110-Y156 VanDerWaalsContact CD1-CE2 3.49Å; L110-Y156 HydrophobicContact CD1-CG 3.59Å; L110-Y156 HydrophobicContact CD2-CD1 3.75Å; L110-Y156 HydrophobicContact CD2-CE1 3.73Å; L110-Y156 HydrophobicContact CD2-CG 4.35Å; L110-Y156 HydrophobicContact CG-CD1 4.31Å; L110-Y156 HydrophobicContact CG-CE1 4.42Å; L110-Y156 HydrophobicContact CG-CG 4.44Å |
| 111 | Y | 96.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | -177.6 | -168.3 | -98.3 | 0 | 0 | 0 | 111.5 | K60 L63 V72 L75 H76 S79 S109 Y113 G114 T115 F157 | K60-Y111 WeakPolarHBondContact CG-OH 3.37Å; L63-Y111 HydrophobicContact CD1-CE2 4.42Å; V72-Y111 HydrophobicContact CG1-CE2 4.4Å; L75-Y111 HydrophobicContact CB-CD2 4.14Å; H76-Y111 HydrophobicContact CB-CD2 3.9Å; H76-Y111 HydrophobicContact CB-CE1 4.41Å; H76-Y111 HydrophobicContact CB-CE2 3.61Å; H76-Y111 HydrophobicContact CB-CG 4.38Å; H76-Y111 AromaticContact CD2-CD1 3.81Å; H76-Y111 AromaticContact CD2-CE1 3.54Å; H76-Y111 AromaticContact CD2-CZ 3.81Å; S79-Y111 WeakPolarHBondContact OG-CB 3.44Å; S109-Y111 PolarHBondContact O-N 2.91Å; Y111-Y113 PolarHBondContact O-N 2.98Å; Y111-G114 PolarHBondContact O-N 2.89Å; Y111-T115 HydrophobicContact CD1-CG2 3.87Å; Y111-T115 HydrophobicContact CD2-CG2 4.2Å; Y111-T115 HydrophobicContact CE1-CG2 3.54Å; Y111-T115 HydrophobicContact CE2-CG2 3.93Å; Y111-T115 HydrophobicContact CG-CG2 4.18Å; Y111-T115 WeakPolarHBondContact O-CB 3.35Å; Y111-T115 VanDerWaalsContact O-CG2 3.25Å; Y111-T115 WeakPolarHBondContact O-CG2 3.31Å; Y111-T115 PolarHBondContact O-N 3.48Å; Y111-T115 PolarHBondContact O-OG1 3.18Å; Y111-F157 HydrophobicContact CD2-CE2 4.34Å; Y111-F157 HydrophobicContact CD2-CZ 4.03Å; Y111-F157 AromaticContact CE2-CZ 3.94Å; Y111-F157 HydrophobicContact CE2-CZ 3.94Å |
| 112 | A | 97.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 32% | 0.322 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L23 S109 L110 T115 L116 | L23-A112 HydrophobicContact CD1-CB 4.41Å; L23-A112 HydrophobicContact CD2-CB 4.06Å; S109-A112 PolarHBondContact O-N 3.47Å; L110-A112 PolarHBondContact O-N 3.4Å; A112-T115 PolarHBondContact O-OG1 3.37Å; A112-L116 VanDerWaalsContact O-CB 3.27Å; A112-L116 WeakPolarHBondContact O-CB 3.32Å; A112-L116 PolarHBondContact O-N 2.81Å; A112-L116 VanDerWaalsContact O-N 3.16Å |
| 113 | Y | 96.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -56.5 | 173.9 | 157.9 | -103.3 | 0 | 0 | 0 | 111.3 | C24 V27 F107 S109 L110 Y111 T115 L116 V117 W143 | C24-Y113 HydrophobicContact CB-CE2 4.26Å; V27-Y113 HydrophobicContact CG2-CD1 4.04Å; V27-Y113 HydrophobicContact CG2-CD2 3.94Å; V27-Y113 HydrophobicContact CG2-CE1 3.83Å; V27-Y113 HydrophobicContact CG2-CE2 3.72Å; V27-Y113 HydrophobicContact CG2-CG 4.08Å; F107-Y113 HydrophobicContact CE2-CD1 4.36Å; F107-Y113 AromaticContact CZ-CD1 3.85Å; F107-Y113 HydrophobicContact CZ-CD1 3.85Å; F107-Y113 HydrophobicContact CZ-CE1 4.4Å; F107-Y113 HydrophobicContact CZ-CG 4.44Å; S109-Y113 WeakPolarHBondContact O-CB 3.4Å; S109-Y113 PolarHBondContact O-N 3.45Å; L110-Y113 PolarHBondContact O-N 3.04Å; Y111-Y113 PolarHBondContact O-N 2.98Å; Y113-T115 PolarHBondContact O-N 2.96Å; Y113-L116 PolarHBondContact O-N 3.36Å; Y113-V117 HydrophobicContact CD2-CG2 3.92Å; Y113-V117 HydrophobicContact CE2-CG2 3.58Å; Y113-V117 WeakPolarHBondContact O-CG2 3.23Å; Y113-V117 PolarHBondContact O-N 2.84Å; Y113-W143 WeakPolarHBondContact OH-CZ2 3.47Å; Y113-W143 PolarHBondContact OH-NE1 2.88Å |
| 114 | G | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 6% | 0.062 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L110 Y111 T118 | L110-G114 PolarHBondContact O-N 2.69Å; Y111-G114 PolarHBondContact O-N 2.89Å; G114-T118 VanDerWaalsContact O-CB 3.25Å; G114-T118 WeakPolarHBondContact O-CB 3.37Å; G114-T118 PolarHBondContact O-N 2.89Å; G114-T118 PolarHBondContact O-OG1 3.27Å |
| 115 | T | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.5 | -36 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | S57 A58 L63 Y111 A112 Y113 G119 F157 | S57-T115 WeakPolarHBondContact CA-O 3.19Å; A58-T115 PolarHBondContact N-O 3.41Å; L63-T115 HydrophobicContact CD1-CG2 3.72Å; Y111-T115 HydrophobicContact CD1-CG2 3.87Å; Y111-T115 HydrophobicContact CD2-CG2 4.2Å; Y111-T115 HydrophobicContact CE1-CG2 3.54Å; Y111-T115 HydrophobicContact CE2-CG2 3.93Å; Y111-T115 HydrophobicContact CG-CG2 4.18Å; Y111-T115 WeakPolarHBondContact O-CB 3.35Å; Y111-T115 VanDerWaalsContact O-CG2 3.25Å; Y111-T115 WeakPolarHBondContact O-CG2 3.31Å; Y111-T115 PolarHBondContact O-N 3.48Å; Y111-T115 PolarHBondContact O-OG1 3.18Å; A112-T115 PolarHBondContact O-OG1 3.37Å; Y113-T115 PolarHBondContact O-N 2.96Å; T115-G119 PolarHBondContact O-N 3.29Å; T115-F157 HydrophobicContact CG2-CE2 4.29Å |
| 116 | L | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.3 | -174.8 | 60 | 0 | 0 | 0 | 112.1 | Q19 L20 L23 P55 A112 Y113 A120 | Q19-L116 HydrophobicContact CG-CD2 4.3Å; L20-L116 HydrophobicContact CB-CD2 4.04Å; L20-L116 HydrophobicContact CD1-CD2 4.08Å; L20-L116 HydrophobicContact CD1-CG 3.98Å; L23-L116 HydrophobicContact CD1-CB 4.43Å; L23-L116 HydrophobicContact CD1-CD2 3.6Å; P55-L116 HydrophobicContact CB-CD1 4.34Å; P55-L116 HydrophobicContact CG-CD1 4.16Å; A112-L116 VanDerWaalsContact O-CB 3.27Å; A112-L116 WeakPolarHBondContact O-CB 3.32Å; A112-L116 PolarHBondContact O-N 2.81Å; A112-L116 VanDerWaalsContact O-N 3.16Å; Y113-L116 PolarHBondContact O-N 3.36Å; L116-A120 WeakPolarHBondContact O-CB 3.47Å; L116-A120 PolarHBondContact O-N 3.35Å |
| 117 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 174 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | L20 Y113 A120 S121 N138 C140 | L20-V117 HydrophobicContact CD1-CG2 4.04Å; Y113-V117 HydrophobicContact CD2-CG2 3.92Å; Y113-V117 HydrophobicContact CE2-CG2 3.58Å; Y113-V117 WeakPolarHBondContact O-CG2 3.23Å; Y113-V117 PolarHBondContact O-N 2.84Å; V117-A120 WeakPolarHBondContact O-CB 3.25Å; V117-A120 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-N 3.1Å; V117-N138 PolarHBondContact O-ND2 3.46Å; V117-C140 WeakPolarHBondContact CG1-O 3.32Å; V117-C140 HydrophobicContact CG2-CB 4.11Å |
| 118 | T | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | -179.8 | -58 | 0 | 0 | 0 | 0 | 111.7 | A58 L63 G114 A120 S121 I122 F157 D159 L162 | A58-T118 HydrophobicContact CB-CG2 4.15Å; L63-T118 HydrophobicContact CD2-CG2 3.77Å; G114-T118 VanDerWaalsContact O-CB 3.25Å; G114-T118 WeakPolarHBondContact O-CB 3.37Å; G114-T118 PolarHBondContact O-N 2.89Å; G114-T118 PolarHBondContact O-OG1 3.27Å; T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 3.4Å; T118-S121 PolarHBondContact O-N 2.78Å; T118-S121 VanDerWaalsContact O-N 3.11Å; T118-I122 HydrophobicContact CG2-CD1 4.03Å; T118-I122 WeakPolarHBondContact O-CG1 3.32Å; T118-I122 PolarHBondContact O-N 2.96Å; T118-F157 WeakPolarHBondContact OG1-CB 3.46Å; T118-D159 HydrophobicContact CG2-CB 4.17Å; T118-L162 HydrophobicContact CG2-CD1 3.41Å; T118-L162 VanDerWaalsContact CG2-CD1 3.41Å |
| 119 | G | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T56 T115 S121 I122 Q123 | T56-G119 CarbonylContact O-C 3.58Å; T56-G119 VanDerWaalsContact O-CA 3.31Å; T56-G119 WeakPolarHBondContact O-CA 3.5Å; T115-G119 PolarHBondContact O-N 3.29Å; G119-S121 PolarHBondContact O-N 2.87Å; G119-I122 PolarHBondContact O-N 3.5Å; G119-Q123 WeakPolarHBondContact O-CB 3.42Å; G119-Q123 VanDerWaalsContact O-CG 3.25Å; G119-Q123 WeakPolarHBondContact O-CG 3.45Å; G119-Q123 PolarHBondContact O-N 3.33Å; G119-Q123 PolarHBondContact O-OE1 2.81Å |
| 120 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A15 P55 L116 V117 T118 Q123 C124 | A15-A120 HydrophobicContact CB-CB 3.99Å; P55-A120 HydrophobicContact CB-CB 3.46Å; P55-A120 VanDerWaalsContact CB-CB 3.46Å; P55-A120 HydrophobicContact CG-CB 3.96Å; L116-A120 WeakPolarHBondContact O-CB 3.47Å; L116-A120 PolarHBondContact O-N 3.35Å; V117-A120 WeakPolarHBondContact O-CB 3.25Å; V117-A120 PolarHBondContact O-N 3.41Å; T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 3.4Å; A120-Q123 PolarHBondContact O-N 2.86Å; A120-C124 WeakPolarHBondContact O-CB 3.4Å; A120-C124 PolarHBondContact O-N 3.28Å; A120-C124 PolarHBondContact O-SG 2.85Å |
| 121 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.6 | -64 | 0 | 0 | 0 | 0 | 112.6 | V117 T118 G119 C124 A125 N138 D159 L305 | V117-S121 PolarHBondContact O-N 3.1Å; T118-S121 PolarHBondContact O-N 2.78Å; T118-S121 VanDerWaalsContact O-N 3.11Å; G119-S121 PolarHBondContact O-N 2.87Å; S121-C124 WeakPolarHBondContact O-CB 3.44Å; S121-C124 PolarHBondContact O-N 3.22Å; S121-A125 PolarHBondContact O-N 2.99Å; S121-N138 PolarHBondContact N-ND2 3.43Å; S121-N138 PolarHBondContact OG-ND2 3.43Å; S121-D159 WeakPolarHBondContact CB-OD2 3.38Å; S121-D159 PolarHBondContact OG-OD2 3.41Å; S121-L305 WeakPolarHBondContact OG-CD2 3.42Å |
| 122 | I | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.046 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.9 | -66.1 | 171 | 0 | 0 | 0 | 110.5 | A58 E62 T118 G119 A125 D126 L162 K166 | A58-I122 HydrophobicContact CB-CD1 4.16Å; E62-I122 HydrophobicContact CB-CD1 4.03Å; T118-I122 HydrophobicContact CG2-CD1 4.03Å; T118-I122 WeakPolarHBondContact O-CG1 3.32Å; T118-I122 PolarHBondContact O-N 2.96Å; G119-I122 PolarHBondContact O-N 3.5Å; I122-A125 WeakPolarHBondContact O-CB 3.48Å; I122-A125 PolarHBondContact O-N 2.88Å; I122-D126 WeakPolarHBondContact O-CB 3.29Å; I122-D126 PolarHBondContact O-N 2.92Å; I122-L162 HydrophobicContact CD1-CB 4.19Å; I122-L162 HydrophobicContact CD1-CD1 4.49Å; I122-L162 HydrophobicContact CG1-CB 4.13Å; I122-K166 HydrophobicContact CG2-CD 4.43Å; I122-K166 HydrophobicContact CG2-CG 4.19Å |
| 123 | Q | 98.9 | Very high | 98.5 | Very high | 51 Ų | 51 | 20.6 Ų | 20.6 | 24% | 0.238 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.9 | -72.9 | 176.8 | -51.9 | 0 | 0 | 112.4 | F53 T56 G119 A120 A125 D126 L127 | F53-Q123 HydrophobicContact CE2-CB 3.93Å; F53-Q123 HydrophobicContact CZ-CB 4.29Å; T56-Q123 PolarHBondContact OG1-NE2 3.44Å; G119-Q123 WeakPolarHBondContact O-CB 3.42Å; G119-Q123 VanDerWaalsContact O-CG 3.25Å; G119-Q123 WeakPolarHBondContact O-CG 3.45Å; G119-Q123 PolarHBondContact O-N 3.33Å; G119-Q123 PolarHBondContact O-OE1 2.81Å; A120-Q123 PolarHBondContact O-N 2.86Å; Q123-A125 VanDerWaalsContact C-N 3.31Å; Q123-A125 PolarHBondContact O-N 2.85Å; Q123-D126 PolarHBondContact O-N 2.79Å; Q123-L127 WeakPolarHBondContact O-CG 3.35Å; Q123-L127 PolarHBondContact O-N 2.87Å |
| 124 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 172.1 | -78.7 | 0 | 0 | 0 | 0 | 111.7 | F53 A120 S121 L128 S136 L303 | F53-C124 VanDerWaalsContact CZ-SG 3.56Å; A120-C124 WeakPolarHBondContact O-CB 3.4Å; A120-C124 PolarHBondContact O-N 3.28Å; A120-C124 PolarHBondContact O-SG 2.85Å; S121-C124 WeakPolarHBondContact O-CB 3.44Å; S121-C124 PolarHBondContact O-N 3.22Å; C124-L128 WeakPolarHBondContact O-CG 3.3Å; C124-L128 PolarHBondContact O-N 3.23Å; C124-S136 VanDerWaalsContact C-OG 3.28Å; C124-S136 WeakPolarHBondContact CB-OG 3.29Å; C124-S136 WeakPolarHBondContact O-CB 3.4Å; C124-S136 PolarHBondContact O-OG 3.4Å; C124-L303 HydrophobicContact CB-CD1 3.38Å |
| 125 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S121 I122 Q123 L128 N129 K166 L167 L303 | S121-A125 PolarHBondContact O-N 2.99Å; I122-A125 WeakPolarHBondContact O-CB 3.48Å; I122-A125 PolarHBondContact O-N 2.88Å; Q123-A125 VanDerWaalsContact C-N 3.31Å; Q123-A125 PolarHBondContact O-N 2.85Å; A125-L128 WeakPolarHBondContact O-CB 3.26Å; A125-L128 PolarHBondContact O-N 2.94Å; A125-N129 PolarHBondContact O-N 3.35Å; A125-K166 HydrophobicContact CB-CB 3.83Å; A125-K166 HydrophobicContact CB-CG 3.79Å; A125-L167 HydrophobicContact CB-CD2 4.05Å; A125-L167 HydrophobicContact CB-CG 3.84Å; A125-L303 HydrophobicContact CB-CD2 4.49Å |
| 126 | D | 98.7 | Very high | 98.7 | Very high | 35 Ų | 35 | 24.8 Ų | 24.8 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 178.7 | -170.6 | 57.2 | 0 | 0 | 0 | 112.6 | I122 Q123 L128 N129 K130 K166 | I122-D126 WeakPolarHBondContact O-CB 3.29Å; I122-D126 PolarHBondContact O-N 2.92Å; Q123-D126 PolarHBondContact O-N 2.79Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 3.3Å; D126-N129 WeakPolarHBondContact O-CB 3.32Å; D126-N129 PolarHBondContact O-N 3.19Å; D126-K130 WeakPolarHBondContact O-CG 3.35Å; D126-K130 PolarHBondContact O-N 2.62Å; D126-K130 WeakPolarHBondContact OD2-CE 3.43Å; D126-K130 IonicContact OD2-NZ 3.91Å; D126-K130 PolarHBondContact OD2-NZ 2.92Å; D126-K166 HydrophobicContact CB-CG 4.47Å; D126-K166 VanDerWaalsContact OD1-CE 3.22Å; D126-K166 WeakPolarHBondContact OD1-CE 3.35Å; D126-K166 IonicContact OD1-NZ 2.77Å |
| 127 | L | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 10% | 0.099 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 172.2 | -71.3 | 172 | 0 | 0 | 0 | 112 | A13 F53 Q123 G131 E132 V133 | A13-L127 HydrophobicContact CB-CD1 3.85Å; F53-L127 HydrophobicContact CD1-CD1 4Å; F53-L127 HydrophobicContact CE1-CD1 3.77Å; F53-L127 HydrophobicContact CZ-CD1 4.14Å; Q123-L127 WeakPolarHBondContact O-CG 3.35Å; Q123-L127 PolarHBondContact O-N 2.87Å; L127-G131 PolarHBondContact O-N 3.4Å; L127-E132 HydrophobicContact CD2-CB 4.22Å; L127-E132 VanDerWaalsContact CD2-OE2 3.32Å; L127-E132 WeakPolarHBondContact CD2-OE2 3.45Å; L127-E132 PolarHBondContact O-N 2.95Å; L127-V133 HydrophobicContact CB-CG2 3.84Å |
| 128 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.4 | -38.4 | 174.8 | -65.4 | 171.1 | 0 | 0 | 0 | 111.7 | C124 A125 D126 K130 G131 V133 K134 S136 L167 Y171 P301 L303 | C124-L128 WeakPolarHBondContact O-CG 3.3Å; C124-L128 PolarHBondContact O-N 3.23Å; A125-L128 WeakPolarHBondContact O-CB 3.26Å; A125-L128 PolarHBondContact O-N 2.94Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 3.3Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-G131 PolarHBondContact O-N 3.01Å; L128-G131 VanDerWaalsContact O-N 3.17Å; L128-V133 HydrophobicContact CD2-CG2 3.91Å; L128-V133 HydrophobicContact CG-CG2 4.44Å; L128-K134 WeakPolarHBondContact CD2-O 3.38Å; L128-S136 VanDerWaalsContact CD1-OG 3.3Å; L128-S136 WeakPolarHBondContact CD1-OG 3.47Å; L128-S136 WeakPolarHBondContact CG-OG 3.44Å; L128-L167 HydrophobicContact CB-CD2 3.88Å; L128-L167 HydrophobicContact CD1-CD2 4.07Å; L128-Y171 PolarHBondContact O-OH 2.78Å; L128-P301 HydrophobicContact CB-CB 4.34Å; L128-P301 HydrophobicContact CD2-CB 4.07Å; L128-L303 HydrophobicContact CD1-CB 3.84Å |
| 129 | N | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175 | -80.8 | -9.9 | 0 | 0 | 0 | 112.2 | A125 D126 G131 K166 L167 R170 Y171 | A125-N129 PolarHBondContact O-N 3.35Å; D126-N129 WeakPolarHBondContact O-CB 3.32Å; D126-N129 PolarHBondContact O-N 3.19Å; N129-G131 PolarHBondContact O-N 3.29Å; N129-K166 PolarHBondContact ND2-O 3.45Å; N129-L167 WeakPolarHBondContact OD1-CA 3.24Å; N129-L167 PolarHBondContact OD1-O 2.96Å; N129-R170 HydrophobicContact CB-CB 4.37Å; N129-R170 WeakPolarHBondContact O-CD 3.2Å; N129-R170 PolarHBondContact O-NE 3.13Å; N129-R170 WeakPolarHBondContact OD1-CB 3.19Å; N129-Y171 WeakPolarHBondContact OD1-CD2 3.33Å; N129-Y171 WeakPolarHBondContact OD1-CE2 3.32Å |
| 130 | K | 98.5 | Very high | 98.6 | Very high | 127 Ų | 127 | 24.7 Ų | 24.7 | 55% | 0.552 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.1 | 176.7 | -69.8 | 168.1 | 175.8 | 169 | 0 | 113 | D126 L128 E132 | D126-K130 WeakPolarHBondContact O-CG 3.35Å; D126-K130 PolarHBondContact O-N 2.62Å; D126-K130 WeakPolarHBondContact OD2-CE 3.43Å; D126-K130 IonicContact OD2-NZ 3.91Å; D126-K130 PolarHBondContact OD2-NZ 2.92Å; L128-K130 VanDerWaalsContact C-N 3.33Å; K130-E132 HydrophobicContact CB-CG 3.96Å; K130-E132 WeakPolarHBondContact CD-OE1 3.44Å; K130-E132 PolarHBondContact O-N 3.17Å |
| 131 | G | 98 | Very high | 98.6 | Very high | 53 Ų | 53 | 24.7 Ų | 24.7 | 55% | 0.546 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 21.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L127 L128 N129 V133 | L127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3.01Å; L128-G131 VanDerWaalsContact O-N 3.17Å; N129-G131 PolarHBondContact O-N 3.29Å; G131-V133 VanDerWaalsContact C-N 3.29Å |
| 132 | E | 98 | Very high | 98.6 | Very high | 89 Ų | 89 | 24.7 Ų | 24.7 | 42% | 0.416 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -71.7 | -27.9 | 178 | -74.1 | -173.2 | -141.4 | 0 | 0 | 112.3 | K51 L127 K130 | K51-E132 IonicContact NZ-OE2 3.78Å; K51-E132 PolarHBondContact NZ-OE2 2.82Å; L127-E132 HydrophobicContact CD2-CB 4.22Å; L127-E132 VanDerWaalsContact CD2-OE2 3.32Å; L127-E132 WeakPolarHBondContact CD2-OE2 3.45Å; L127-E132 PolarHBondContact O-N 2.95Å; K130-E132 HydrophobicContact CB-CG 3.96Å; K130-E132 WeakPolarHBondContact CD-OE1 3.44Å; K130-E132 PolarHBondContact O-N 3.17Å |
| 133 | V | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | trans | -140.1 | 160.8 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 110 | A13 L127 L128 G131 V135 | A13-V133 HydrophobicContact CB-CB 4.48Å; A13-V133 HydrophobicContact CB-CG1 3.79Å; A13-V133 HydrophobicContact CB-CG2 4.31Å; L127-V133 HydrophobicContact CB-CG2 3.84Å; L128-V133 HydrophobicContact CD2-CG2 3.91Å; L128-V133 HydrophobicContact CG-CG2 4.44Å; G131-V133 VanDerWaalsContact C-N 3.29Å; V133-V135 WeakPolarHBondContact CG2-O 3.45Å | ||
| 134 | K | 98.2 | Very high | 98.5 | Very high | 104 Ų | 104 | 22.8 Ų | 22.8 | 45% | 0.452 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -95.9 | -29.7 | 171.9 | -63.8 | 178 | -177.7 | 136.6 | 0 | 111.7 | L7 D11 L128 P301 C302 | L7-K134 HydrophobicContact CD2-CB 4.01Å; L7-K134 HydrophobicContact CD2-CD 3.71Å; L7-K134 HydrophobicContact CD2-CG 4.48Å; D11-K134 HydrophobicContact CB-CB 4.32Å; D11-K134 HydrophobicContact CB-CD 4.21Å; D11-K134 HydrophobicContact CB-CG 4.33Å; D11-K134 PolarHBondContact O-N 3Å; D11-K134 WeakPolarHBondContact OD1-CD 3.49Å; D11-K134 WeakPolarHBondContact OD1-CE 3.47Å; D11-K134 IonicContact OD1-NZ 2.8Å; D11-K134 PolarHBondContact OD1-NZ 2.75Å; D11-K134 IonicContact OD2-NZ 2.71Å; L128-K134 WeakPolarHBondContact CD2-O 3.38Å; K134-P301 WeakPolarHBondContact O-CA 3.31Å; K134-C302 PolarHBondContact O-N 3Å |
| 135 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.7 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | L7 D11 V12 A13 V133 I137 L296 C302 L304 | L7-V135 HydrophobicContact CD1-CG2 3.82Å; D11-V135 PolarHBondContact O-N 3.2Å; V12-V135 CarbonylContact C-O 3.58Å; V12-V135 VanDerWaalsContact CA-O 3.28Å; V12-V135 WeakPolarHBondContact CA-O 3.25Å; V12-V135 HydrophobicContact CG1-CB 4.25Å; V12-V135 HydrophobicContact CG1-CG1 4.35Å; V12-V135 HydrophobicContact CG2-CB 4.24Å; A13-V135 PolarHBondContact N-O 3.39Å; V133-V135 WeakPolarHBondContact CG2-O 3.45Å; V135-I137 HydrophobicContact CG1-CD1 4.49Å; V135-I137 HydrophobicContact CG1-CG1 4.12Å; V135-L296 HydrophobicContact CG2-CD2 3.72Å; V135-C302 CarbonylContact C-O 3.59Å; V135-C302 VanDerWaalsContact CA-O 3.24Å; V135-C302 WeakPolarHBondContact CA-O 3.38Å; V135-C302 HydrophobicContact CG2-CB 4.41Å; V135-L304 HydrophobicContact CG1-CD1 3.86Å; V135-L304 HydrophobicContact CG1-CG 3.95Å |
| 136 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.7 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | A13 C124 L128 C302 L303 L304 | A13-S136 CarbonylContact O-C 3.55Å; A13-S136 WeakPolarHBondContact O-CA 3.22Å; C124-S136 VanDerWaalsContact C-OG 3.28Å; C124-S136 WeakPolarHBondContact CB-OG 3.29Å; C124-S136 WeakPolarHBondContact O-CB 3.4Å; C124-S136 PolarHBondContact O-OG 3.4Å; L128-S136 VanDerWaalsContact CD1-OG 3.3Å; L128-S136 WeakPolarHBondContact CD1-OG 3.47Å; L128-S136 WeakPolarHBondContact CG-OG 3.44Å; S136-C302 PolarHBondContact N-O 3.39Å; S136-L303 CarbonylContact O-C 3.6Å; S136-L303 WeakPolarHBondContact O-CA 3.41Å; S136-L304 PolarHBondContact O-N 2.93Å |
| 137 | I | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.8 | -168 | -51.2 | 179.4 | 0 | 0 | 0 | 109.9 | V12 A13 L14 A15 V135 L304 W319 L323 | V12-I137 HydrophobicContact CG1-CD1 3.78Å; V12-I137 HydrophobicContact CG1-CG1 4.36Å; A13-I137 PolarHBondContact O-N 2.93Å; L14-I137 HydrophobicContact CD1-CB 3.85Å; L14-I137 HydrophobicContact CD1-CG2 3.73Å; A15-I137 PolarHBondContact N-O 3.22Å; V135-I137 HydrophobicContact CG1-CD1 4.49Å; V135-I137 HydrophobicContact CG1-CG1 4.12Å; I137-L304 CarbonylContact C-O 3.58Å; I137-L304 WeakPolarHBondContact CA-O 3.34Å; I137-L304 HydrophobicContact CD1-CD1 4.14Å; I137-L304 HydrophobicContact CG1-CB 4.16Å; I137-L304 HydrophobicContact CG1-CD1 4.06Å; I137-L304 HydrophobicContact CG1-CG 4.34Å; I137-L304 HydrophobicContact CG2-CB 4.3Å; I137-W319 HydrophobicContact CG2-CZ3 3.84Å; I137-L323 HydrophobicContact CD1-CD1 3.73Å |
| 138 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 88.9 | 164.8 | 179.4 | 21.7 | 0 | 0 | 0 | 110.1 | A15 V117 S121 C140 G141 L304 L305 G306 | A15-N138 HydrophobicContact CB-CB 4.3Å; V117-N138 PolarHBondContact O-ND2 3.46Å; S121-N138 PolarHBondContact N-ND2 3.43Å; S121-N138 PolarHBondContact OG-ND2 3.43Å; N138-C140 PolarHBondContact O-N 2.62Å; N138-C140 VanDerWaalsContact O-N 3.17Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 2.87Å; N138-G141 PolarHBondContact ND2-N 2.91Å; N138-G141 PolarHBondContact O-N 3.23Å; N138-G141 VanDerWaalsContact O-N 3.15Å; N138-G141 PolarHBondContact OD1-N 3.5Å; N138-L304 PolarHBondContact N-O 3.42Å; N138-L305 HydrophobicContact CB-CD2 4.07Å; N138-L305 WeakPolarHBondContact O-CA 3.47Å; N138-G306 PolarHBondContact O-N 3.34Å; N138-G306 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.3 | 179.1 | 74.7 | 88.8 | 0 | 0 | 0 | 113.6 | T37 F38 M41 G306 F315 W319 | T37-L139 HydrophobicContact CG2-CD1 4.35Å; T37-L139 HydrophobicContact CG2-CD2 4.04Å; F38-L139 HydrophobicContact CD1-CD2 3.99Å; F38-L139 HydrophobicContact CE1-CD2 3.42Å; F38-L139 VanDerWaalsContact CE1-CD2 3.42Å; F38-L139 HydrophobicContact CE1-CG 4.06Å; F38-L139 HydrophobicContact CE2-CD1 4.38Å; F38-L139 HydrophobicContact CZ-CD1 4.16Å; F38-L139 HydrophobicContact CZ-CD2 3.74Å; F38-L139 HydrophobicContact CZ-CG 3.85Å; M41-L139 HydrophobicContact CE-CD2 3.81Å; M41-L139 HydrophobicContact SD-CD2 4.04Å; L139-G306 VanDerWaalsContact O-CA 3.28Å; L139-G306 WeakPolarHBondContact O-CA 3.41Å; L139-F315 HydrophobicContact CD1-CE1 4.13Å; L139-F315 HydrophobicContact CD1-CZ 4.47Å; L139-W319 HydrophobicContact CB-CD2 3.78Å; L139-W319 HydrophobicContact CB-CE3 3.56Å; L139-W319 HydrophobicContact CB-CH2 3.9Å; L139-W319 HydrophobicContact CB-CZ2 4.13Å; L139-W319 HydrophobicContact CB-CZ3 3.61Å; L139-W319 HydrophobicContact CD2-CE3 4.4Å |
| 140 | C | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14.8 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | L20 T34 V117 N138 W143 | L20-C140 HydrophobicContact CD1-CB 4.25Å; L20-C140 HydrophobicContact CD2-CB 4.39Å; T34-C140 WeakPolarHBondContact CG2-SG 3.39Å; V117-C140 WeakPolarHBondContact CG1-O 3.32Å; V117-C140 HydrophobicContact CG2-CB 4.11Å; N138-C140 PolarHBondContact O-N 2.62Å; N138-C140 VanDerWaalsContact O-N 3.17Å; N138-C140 WeakPolarHBondContact OD1-CB 3.49Å; N138-C140 PolarHBondContact OD1-N 2.87Å; C140-W143 PolarHBondContact O-NE1 2.91Å |
| 141 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -88.4 | -157.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N138 D159 G306 G307 | N138-G141 PolarHBondContact ND2-N 2.91Å; N138-G141 PolarHBondContact O-N 3.23Å; N138-G141 VanDerWaalsContact O-N 3.15Å; N138-G141 PolarHBondContact OD1-N 3.5Å; G141-D159 VanDerWaalsContact CA-OD2 3.25Å; G141-D159 WeakPolarHBondContact CA-OD2 3.45Å; G141-G306 CarbonylContact O-C 3.51Å; G141-G306 WeakPolarHBondContact O-CA 3.49Å; G141-G306 PolarHBondContact O-N 2.93Å; G141-G307 PolarHBondContact O-N 3.24Å | ||
| 142 | G | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | 89.3 | 20.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | H144 D159 Q267 | G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 2.98Å; G142-D159 PolarHBondContact N-OD1 2.6Å; G142-D159 PolarHBondContact N-OD2 3.44Å; G142-Q267 PolarHBondContact O-NE2 2.87Å | ||
| 143 | W | 97.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 6% | 0.061 | 11% | 0.105 | C | C | . | . | trans | -78.8 | 78.4 | -177.5 | -61.6 | 108.2 | 0 | 0 | 0 | 110.6 | L30 Y113 C140 H145 F154 C155 D159 | L30-W143 HydrophobicContact CD1-CH2 3.94Å; L30-W143 HydrophobicContact CD1-CZ2 3.92Å; L30-W143 HydrophobicContact CD2-CH2 3.94Å; Y113-W143 WeakPolarHBondContact OH-CZ2 3.47Å; Y113-W143 PolarHBondContact OH-NE1 2.88Å; C140-W143 PolarHBondContact O-NE1 2.91Å; W143-H145 PolarHBondContact O-N 3.37Å; W143-F154 HydrophobicContact CZ3-CB 4.4Å; W143-C155 VanDerWaalsContact CA-SG 3.57Å; W143-C155 HydrophobicContact CB-CB 3.9Å; W143-D159 PolarHBondContact N-OD1 3.33Å | ||
| 144 | H | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.8 | -164.6 | 67.3 | 172.4 | 0 | 0 | 0 | 115.6 | G142 N158 D178 D180 H182 S188 V189 | G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 2.98Å; H144-N158 PolarHBondContact O-ND2 2.96Å; H144-D178 IonicContact CE1-OD1 3.14Å; H144-D178 IonicContact CE1-OD2 3.43Å; H144-D178 IonicContact CG-OD2 3.1Å; H144-D178 IonicContact ND1-OD1 3.12Å; H144-D178 IonicContact ND1-OD2 2.89Å; H144-D178 PolarHBondContact ND1-OD2 2.57Å; H144-D180 VanDerWaalsContact CE1-CB 3.47Å; H144-D180 WeakPolarHBondContact CE1-CB 3.34Å; H144-D180 IonicContact CE1-OD1 2.91Å; H144-D180 IonicContact NE2-OD1 3.02Å; H144-H182 PolarHBondContact CE1-O 3.47Å; H144-S188 WeakPolarHBondContact O-CB 3.47Å; H144-S188 PolarHBondContact O-OG 3.22Å; H144-V189 HydrophobicContact CB-CG2 3.85Å; H144-V189 WeakPolarHBondContact O-CG2 3.24Å |
| 145 | H | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 3% | 0.032 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.3 | -177.3 | -69.1 | -60.3 | 0 | 0 | 0 | 114.4 | W143 R147 A152 C155 H182 H183 D185 S188 Y212 | W143-H145 PolarHBondContact O-N 3.37Å; H145-R147 PolarHBondContact O-N 3.47Å; H145-A152 HydrophobicContact CB-CB 4.29Å; H145-A152 VanDerWaalsContact CB-O 3.23Å; H145-A152 WeakPolarHBondContact CB-O 3.22Å; H145-C155 HydrophobicContact CB-CB 4.01Å; H145-C155 PolarHBondContact N-SG 2.92Å; H145-C155 VanDerWaalsContact N-SG 3.37Å; H145-H182 WeakPolarHBondContact NE2-CB 3.44Å; H145-H183 PolarHBondContact CE1-O 3.2Å; H145-D185 IonicContact CE1-OD2 3.95Å; H145-D185 IonicContact CG-OD2 3.85Å; H145-D185 IonicContact ND1-OD2 3.62Å; H145-D185 PolarHBondContact ND1-OD2 2.89Å; H145-S188 WeakPolarHBondContact O-CB 3.21Å; H145-Y212 AromaticContact CD2-CE1 3.82Å; H145-Y212 AromaticContact CE1-CE1 3.63Å; H145-Y212 AromaticContact CG-CE1 3.89Å; H145-Y212 AromaticContact ND1-CE1 3.75Å; H145-Y212 AromaticContact NE2-CD1 3.94Å; H145-Y212 AromaticContact NE2-CE1 3.62Å |
| 146 | A | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -62.7 | 132.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C155 F157 N158 | A146-C155 HydrophobicContact CB-CB 3.71Å; A146-F157 VanDerWaalsContact CB-C 3.47Å; A146-N158 HydrophobicContact CB-CB 3.85Å; A146-N158 WeakPolarHBondContact O-CB 3.42Å; A146-N158 PolarHBondContact O-ND2 3.39Å | ||
| 147 | R | 95.6 | Very high | 96.7 | Very high | 83 Ų | 83 | 22 Ų | 22 | 31% | 0.313 | 10% | 0.099 | S | C | . | . | B | Isolated β-bridge | trans | -98 | 175.5 | 179.8 | -45.3 | -169.6 | 174.8 | 169.7 | -13.6 | 110.4 | H67 H145 S149 Q150 A187 | H67-R147 PolarHBondContact CE1-O 3.41Å; H67-R147 PolarHBondContact ND1-O 3.06Å; H145-R147 PolarHBondContact O-N 3.47Å; R147-S149 VanDerWaalsContact C-N 3.26Å; R147-S149 PolarHBondContact O-N 3.4Å; R147-Q150 HydrophobicContact CB-CB 3.98Å; R147-Q150 HydrophobicContact CG-CB 4.23Å; R147-Q150 PolarHBondContact N-O 3.08Å; R147-A187 VanDerWaalsContact CG-O 3.23Å; R147-A187 WeakPolarHBondContact CG-O 3.47Å |
| 148 | R | 95 | Very high | 96.7 | Very high | 141 Ų | 141 | 21.8 Ų | 21.8 | 53% | 0.532 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -41.6 | 178 | 175.5 | 161.4 | -165.5 | -80.5 | -1.2 | 113.1 | F66 H67 S68 | F66-R148 HydrophobicContact CE2-CB 4.2Å; F66-R148 HydrophobicContact CZ-CB 4.16Å; F66-R148 VanDerWaalsContact O-CG 3.31Å; F66-R148 WeakPolarHBondContact O-CG 3.43Å; F66-R148 PolarHBondContact O-NE 2.93Å; H67-R148 CarbonylContact C-O 3.5Å; H67-R148 WeakPolarHBondContact CA-O 3.41Å; H67-R148 PolarHBondContact ND1-O 3.31Å; S68-R148 PolarHBondContact N-O 3.33Å |
| 149 | S | 95.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 21.8 Ų | 21.8 | 28% | 0.28 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134 | 26.4 | -174.5 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | S68 F98 R147 | S68-S149 VanDerWaalsContact CB-OG 3.22Å; S68-S149 WeakPolarHBondContact CB-OG 3.27Å; S68-S149 WeakPolarHBondContact OG-CB 3.22Å; S68-S149 PolarHBondContact OG-OG 3.42Å; F98-S149 WeakPolarHBondContact CD1-O 3.44Å; R147-S149 VanDerWaalsContact C-N 3.26Å; R147-S149 PolarHBondContact O-N 3.4Å |
| 150 | Q | 95.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 21.8 Ų | 21.8 | 27% | 0.266 | 10% | 0.098 | S | C | . | . | B | Isolated β-bridge | trans | -154.3 | 132.8 | -174.4 | -157.7 | 176.1 | 37.7 | 0 | 0 | 111.1 | G97 F98 R147 | G97-Q150 PolarHBondContact O-NE2 3.27Å; F98-Q150 CarbonylContact O-C 3.45Å; F98-Q150 WeakPolarHBondContact O-CA 3.44Å; R147-Q150 HydrophobicContact CB-CB 3.98Å; R147-Q150 HydrophobicContact CG-CB 4.23Å; R147-Q150 PolarHBondContact N-O 3.08Å |
| 151 | A | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | trans | -75.7 | 147.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y71 F98 V100 C104 C155 Y156 | Y71-A151 VanDerWaalsContact OH-CA 3.29Å; Y71-A151 WeakPolarHBondContact OH-CA 3.24Å; Y71-A151 VanDerWaalsContact OH-CB 3.28Å; Y71-A151 WeakPolarHBondContact OH-CB 3.4Å; Y71-A151 PolarHBondContact OH-N 2.9Å; F98-A151 PolarHBondContact O-N 3.29Å; V100-A151 HydrophobicContact CG1-CB 4.13Å; C104-A151 HydrophobicContact CB-CB 3.79Å; A151-C155 VanDerWaalsContact CA-O 3.25Å; A151-C155 WeakPolarHBondContact CA-O 3.3Å; A151-Y156 HydrophobicContact CB-CD1 3.87Å; A151-Y156 HydrophobicContact CB-CE1 4.35Å; A151-Y156 HydrophobicContact CB-CG 4.48Å | ||
| 152 | A | 95.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 22 Ų | 22 | 5% | 0.05 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -160.6 | 143 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H145 F154 C155 Y212 | H145-A152 HydrophobicContact CB-CB 4.29Å; H145-A152 VanDerWaalsContact CB-O 3.23Å; H145-A152 WeakPolarHBondContact CB-O 3.22Å; A152-F154 PolarHBondContact O-N 2.95Å; A152-C155 PolarHBondContact N-O 3.28Å; A152-C155 WeakPolarHBondContact O-CA 3.02Å; A152-C155 WeakPolarHBondContact O-CB 3.43Å; A152-C155 PolarHBondContact O-N 3.06Å; A152-Y212 WeakPolarHBondContact CB-OH 3.35Å |
| 153 | G | 93.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 22 Ų | 22 | 7% | 0.072 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 48.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D103 C155 | D103-G153 WeakPolarHBondContact OD2-CA 3.32Å; D103-G153 PolarHBondContact OD2-N 2.79Å; G153-C155 PolarHBondContact O-N 2.84Å; G153-C155 VanDerWaalsContact O-N 3.12Å; G153-C155 PolarHBondContact O-SG 3.21Å |
| 154 | F | 94.3 | Very high | 96.7 | Very high | 69 Ų | 69 | 21.2 Ų | 21.2 | 30% | 0.303 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 1.6 | -174.5 | -40.2 | -68.1 | 0 | 0 | 0 | 115.7 | T29 D103 C104 W143 A152 Y156 Y310 | T29-F154 HydrophobicContact CG2-CD1 4.49Å; T29-F154 HydrophobicContact CG2-CE1 4.38Å; D103-F154 HydrophobicContact CB-CE1 4.25Å; D103-F154 WeakPolarHBondContact O-CD1 3.49Å; D103-F154 WeakPolarHBondContact O-CE1 3.39Å; C104-F154 PolarHBondContact SG-N 2.96Å; C104-F154 VanDerWaalsContact SG-N 3.37Å; W143-F154 HydrophobicContact CZ3-CB 4.4Å; A152-F154 PolarHBondContact O-N 2.95Å; F154-Y156 WeakPolarHBondContact O-CE2 3.42Å; F154-Y310 HydrophobicContact CD2-CE1 4.16Å; F154-Y310 HydrophobicContact CE2-CE1 4.11Å |
| 155 | C | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 121.4 | -175.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | W143 H145 A146 A151 A152 G153 | W143-C155 VanDerWaalsContact CA-SG 3.57Å; W143-C155 HydrophobicContact CB-CB 3.9Å; H145-C155 HydrophobicContact CB-CB 4.01Å; H145-C155 PolarHBondContact N-SG 2.92Å; H145-C155 VanDerWaalsContact N-SG 3.37Å; A146-C155 HydrophobicContact CB-CB 3.71Å; A151-C155 VanDerWaalsContact CA-O 3.25Å; A151-C155 WeakPolarHBondContact CA-O 3.3Å; A152-C155 PolarHBondContact N-O 3.28Å; A152-C155 WeakPolarHBondContact O-CA 3.02Å; A152-C155 WeakPolarHBondContact O-CB 3.43Å; A152-C155 PolarHBondContact O-N 3.06Å; G153-C155 PolarHBondContact O-N 2.84Å; G153-C155 VanDerWaalsContact O-N 3.12Å; G153-C155 PolarHBondContact O-SG 3.21Å |
| 156 | Y | 96.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 6% | 0.059 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -104.9 | -35.4 | 178.4 | -56.1 | -94.5 | 0 | 0 | 0 | 112.8 | Y71 L75 C104 P105 F107 L110 A151 F154 | Y71-Y156 VanDerWaalsContact CE1-O 3.32Å; Y71-Y156 WeakPolarHBondContact CE1-O 3.42Å; Y71-Y156 PolarHBondContact OH-O 3.41Å; L75-Y156 HydrophobicContact CD2-CD1 4.2Å; C104-Y156 WeakPolarHBondContact CA-OH 3.27Å; C104-Y156 HydrophobicContact CB-CE1 3.76Å; C104-Y156 PolarHBondContact O-OH 2.79Å; P105-Y156 PolarHBondContact O-OH 3.23Å; F107-Y156 HydrophobicContact CE1-CE2 4.36Å; L110-Y156 HydrophobicContact CD1-CD1 3.76Å; L110-Y156 HydrophobicContact CD1-CD2 3.45Å; L110-Y156 VanDerWaalsContact CD1-CD2 3.45Å; L110-Y156 HydrophobicContact CD1-CE1 3.79Å; L110-Y156 HydrophobicContact CD1-CE2 3.49Å; L110-Y156 VanDerWaalsContact CD1-CE2 3.49Å; L110-Y156 HydrophobicContact CD1-CG 3.59Å; L110-Y156 HydrophobicContact CD2-CD1 3.75Å; L110-Y156 HydrophobicContact CD2-CE1 3.73Å; L110-Y156 HydrophobicContact CD2-CG 4.35Å; L110-Y156 HydrophobicContact CG-CD1 4.31Å; L110-Y156 HydrophobicContact CG-CE1 4.42Å; L110-Y156 HydrophobicContact CG-CG 4.44Å; A151-Y156 HydrophobicContact CB-CD1 3.87Å; A151-Y156 HydrophobicContact CB-CE1 4.35Å; A151-Y156 HydrophobicContact CB-CG 4.48Å; F154-Y156 WeakPolarHBondContact O-CE2 3.42Å |
| 157 | F | 97.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.022 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -125.1 | 137.3 | 173.4 | -64.6 | -66.8 | 0 | 0 | 0 | 109 | L63 H67 V72 L75 Y111 T115 T118 A146 D159 | L63-F157 HydrophobicContact CD1-CE1 3.94Å; L63-F157 HydrophobicContact CD1-CZ 4.04Å; L63-F157 HydrophobicContact CD2-CD1 3.79Å; L63-F157 HydrophobicContact CD2-CE1 4.05Å; L63-F157 HydrophobicContact CD2-CG 4.1Å; L63-F157 HydrophobicContact CG-CE1 4.42Å; H67-F157 AromaticContact CD2-CD1 3.79Å; H67-F157 WeakPolarHBondContact NE2-CA 3.35Å; H67-F157 AromaticContact NE2-CD1 3.86Å; V72-F157 HydrophobicContact CG2-CE1 4.38Å; L75-F157 HydrophobicContact CB-CZ 4.14Å; L75-F157 HydrophobicContact CD1-CD1 4.32Å; L75-F157 HydrophobicContact CD1-CE1 3.66Å; L75-F157 HydrophobicContact CD1-CE2 3.98Å; L75-F157 HydrophobicContact CD1-CZ 3.47Å; L75-F157 VanDerWaalsContact CD1-CZ 3.47Å; L75-F157 HydrophobicContact CG-CZ 4.49Å; Y111-F157 HydrophobicContact CD2-CE2 4.34Å; Y111-F157 HydrophobicContact CD2-CZ 4.03Å; Y111-F157 AromaticContact CE2-CZ 3.94Å; Y111-F157 HydrophobicContact CE2-CZ 3.94Å; T115-F157 HydrophobicContact CG2-CE2 4.29Å; T118-F157 WeakPolarHBondContact OG1-CB 3.46Å; A146-F157 VanDerWaalsContact CB-C 3.47Å; F157-D159 PolarHBondContact O-N 2.78Å |
| 158 | N | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -91.2 | 83.7 | -179.9 | -159.2 | -46.7 | 0 | 0 | 0 | 109.8 | F66 H67 H144 A146 C160 V161 L162 | F66-N158 HydrophobicContact CD1-CB 4.09Å; F66-N158 HydrophobicContact CE1-CB 3.73Å; H67-N158 PolarHBondContact CE1-N 2.89Å; H67-N158 PolarHBondContact NE2-N 2.93Å; H144-N158 PolarHBondContact O-ND2 2.96Å; A146-N158 HydrophobicContact CB-CB 3.85Å; A146-N158 WeakPolarHBondContact O-CB 3.42Å; A146-N158 PolarHBondContact O-ND2 3.39Å; N158-C160 PolarHBondContact O-N 3.34Å; N158-C160 WeakPolarHBondContact OD1-CB 3.4Å; N158-C160 PolarHBondContact OD1-N 2.94Å; N158-V161 HydrophobicContact CB-CB 4.17Å; N158-V161 HydrophobicContact CB-CG2 4.2Å; N158-V161 PolarHBondContact O-N 2.82Å; N158-V161 WeakPolarHBondContact OD1-CG2 3.39Å; N158-V161 PolarHBondContact OD1-N 3.11Å; N158-L162 PolarHBondContact O-N 3.26Å; N158-L162 VanDerWaalsContact O-N 3.13Å | ||
| 159 | D | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.5 | -22.9 | -179.7 | 73.7 | -73.8 | 0 | 0 | 0 | 112.5 | T118 S121 G141 G142 W143 F157 S163 | T118-D159 HydrophobicContact CG2-CB 4.17Å; S121-D159 WeakPolarHBondContact CB-OD2 3.38Å; S121-D159 PolarHBondContact OG-OD2 3.41Å; G141-D159 VanDerWaalsContact CA-OD2 3.25Å; G141-D159 WeakPolarHBondContact CA-OD2 3.45Å; G142-D159 PolarHBondContact N-OD1 2.6Å; G142-D159 PolarHBondContact N-OD2 3.44Å; W143-D159 PolarHBondContact N-OD1 3.33Å; F157-D159 PolarHBondContact O-N 2.78Å; D159-S163 WeakPolarHBondContact O-CB 3.29Å; D159-S163 PolarHBondContact O-N 3.27Å; D159-S163 PolarHBondContact O-OG 3.11Å |
| 160 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -52.9 | 169.5 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | N158 L162 S163 I164 Y176 V189 L305 | N158-C160 PolarHBondContact O-N 3.34Å; N158-C160 WeakPolarHBondContact OD1-CB 3.4Å; N158-C160 PolarHBondContact OD1-N 2.94Å; C160-L162 PolarHBondContact O-N 2.93Å; C160-S163 PolarHBondContact O-N 3.15Å; C160-S163 PolarHBondContact O-OG 3.38Å; C160-I164 WeakPolarHBondContact O-CD1 3.43Å; C160-I164 VanDerWaalsContact O-CG1 3.25Å; C160-I164 WeakPolarHBondContact O-CG1 3.32Å; C160-I164 PolarHBondContact O-N 3.37Å; C160-Y176 HydrophobicContact CB-CE2 4Å; C160-V189 HydrophobicContact CB-CG2 3.78Å; C160-L305 HydrophobicContact CB-CD1 4.31Å |
| 161 | V | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 180 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | F66 N158 S163 I164 L165 V189 A192 F193 | F66-V161 HydrophobicContact CB-CG1 4.01Å; F66-V161 HydrophobicContact CD1-CB 4.25Å; F66-V161 HydrophobicContact CD1-CG1 4.01Å; F66-V161 HydrophobicContact CD2-CG1 3.58Å; F66-V161 HydrophobicContact CE1-CB 4.41Å; F66-V161 HydrophobicContact CE1-CG1 4.37Å; F66-V161 HydrophobicContact CE1-CG2 4.46Å; F66-V161 HydrophobicContact CE2-CG1 3.97Å; F66-V161 HydrophobicContact CG-CB 4.33Å; F66-V161 HydrophobicContact CG-CG1 3.59Å; F66-V161 HydrophobicContact CZ-CG1 4.35Å; F66-V161 HydrophobicContact CZ-CG2 4.37Å; N158-V161 HydrophobicContact CB-CB 4.17Å; N158-V161 HydrophobicContact CB-CG2 4.2Å; N158-V161 PolarHBondContact O-N 2.82Å; N158-V161 WeakPolarHBondContact OD1-CG2 3.39Å; N158-V161 PolarHBondContact OD1-N 3.11Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 3.32Å; V161-I164 PolarHBondContact O-N 3.44Å; V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 HydrophobicContact CG1-CG 4.28Å; V161-L165 VanDerWaalsContact O-CG 3.32Å; V161-L165 WeakPolarHBondContact O-CG 3.38Å; V161-L165 PolarHBondContact O-N 3.17Å; V161-V189 HydrophobicContact CG2-CB 4.39Å; V161-V189 HydrophobicContact CG2-CG1 4.38Å; V161-V189 HydrophobicContact CG2-CG2 4.2Å; V161-A192 HydrophobicContact CB-CB 4.49Å; V161-A192 HydrophobicContact CG1-CB 3.94Å; V161-A192 HydrophobicContact CG2-CB 3.63Å; V161-F193 HydrophobicContact CB-CE2 4.46Å; V161-F193 HydrophobicContact CG1-CE2 4.28Å; V161-F193 HydrophobicContact CG1-CZ 4.02Å; V161-F193 HydrophobicContact CG2-CE2 4.11Å |
| 162 | L | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | -179.1 | -71.2 | 169.9 | 0 | 0 | 0 | 112.3 | E62 L63 F66 T118 I122 N158 C160 L165 K166 | E62-L162 VanDerWaalsContact O-CD2 3.26Å; E62-L162 WeakPolarHBondContact O-CD2 3.28Å; L63-L162 HydrophobicContact CD2-CD1 4.12Å; F66-L162 HydrophobicContact CB-CD2 3.72Å; F66-L162 HydrophobicContact CB-CG 4.26Å; T118-L162 HydrophobicContact CG2-CD1 3.41Å; T118-L162 VanDerWaalsContact CG2-CD1 3.41Å; I122-L162 HydrophobicContact CD1-CB 4.19Å; I122-L162 HydrophobicContact CD1-CD1 4.49Å; I122-L162 HydrophobicContact CG1-CB 4.13Å; N158-L162 PolarHBondContact O-N 3.26Å; N158-L162 VanDerWaalsContact O-N 3.13Å; C160-L162 PolarHBondContact O-N 2.93Å; L162-L165 PolarHBondContact O-N 3.18Å; L162-K166 WeakPolarHBondContact O-CB 3.38Å; L162-K166 PolarHBondContact O-N 2.83Å |
| 163 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | D159 C160 V161 K166 L167 L303 | D159-S163 WeakPolarHBondContact O-CB 3.29Å; D159-S163 PolarHBondContact O-N 3.27Å; D159-S163 PolarHBondContact O-OG 3.11Å; C160-S163 PolarHBondContact O-N 3.15Å; C160-S163 PolarHBondContact O-OG 3.38Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 3.32Å; S163-K166 WeakPolarHBondContact O-CB 3.49Å; S163-K166 PolarHBondContact O-N 3.06Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.77Å; S163-L303 VanDerWaalsContact CB-CD2 3.44Å; S163-L303 WeakPolarHBondContact OG-CD2 3.4Å |
| 164 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 172.3 | -68.4 | 163.4 | 0 | 0 | 0 | 110.5 | C160 V161 K166 L167 R168 I174 Y176 V189 F193 V199 V265 | C160-I164 WeakPolarHBondContact O-CD1 3.43Å; C160-I164 VanDerWaalsContact O-CG1 3.25Å; C160-I164 WeakPolarHBondContact O-CG1 3.32Å; C160-I164 PolarHBondContact O-N 3.37Å; V161-I164 PolarHBondContact O-N 3.44Å; I164-K166 VanDerWaalsContact C-N 3.27Å; I164-K166 PolarHBondContact O-N 2.92Å; I164-L167 PolarHBondContact O-N 3.45Å; I164-R168 HydrophobicContact CG2-CG 4.33Å; I164-R168 VanDerWaalsContact O-CG 3.28Å; I164-R168 WeakPolarHBondContact O-CG 3.23Å; I164-R168 PolarHBondContact O-N 3.02Å; I164-I174 HydrophobicContact CG1-CG2 4.23Å; I164-I174 HydrophobicContact CG2-CB 4.26Å; I164-I174 HydrophobicContact CG2-CG1 4.29Å; I164-I174 HydrophobicContact CG2-CG2 4.18Å; I164-Y176 HydrophobicContact CD1-CD2 3.87Å; I164-Y176 HydrophobicContact CD1-CG 4.08Å; I164-V189 HydrophobicContact CD1-CG1 4.13Å; I164-F193 HydrophobicContact CB-CE2 4.03Å; I164-F193 HydrophobicContact CB-CZ 3.8Å; I164-F193 HydrophobicContact CD1-CD2 4.36Å; I164-F193 HydrophobicContact CD1-CE2 3.65Å; I164-F193 HydrophobicContact CD1-CZ 4.32Å; I164-F193 HydrophobicContact CG1-CE2 4.46Å; I164-F193 HydrophobicContact CG2-CE1 3.94Å; I164-F193 HydrophobicContact CG2-CE2 3.77Å; I164-F193 HydrophobicContact CG2-CZ 3.38Å; I164-V199 HydrophobicContact CG2-CG1 4.06Å; I164-V199 HydrophobicContact CG2-CG2 3.79Å; I164-V265 HydrophobicContact CG1-CB 4.39Å; I164-V265 HydrophobicContact CG1-CG2 3.86Å |
| 165 | L | 98.2 | Very high | 98.2 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | 176.3 | -69.9 | 170.8 | 0 | 0 | 0 | 111.1 | Y65 F66 V161 L162 R168 F193 | Y65-L165 HydrophobicContact CD1-CB 4.35Å; Y65-L165 HydrophobicContact CD1-CD1 4.2Å; F66-L165 HydrophobicContact CB-CD1 4.1Å; V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 HydrophobicContact CG1-CG 4.28Å; V161-L165 VanDerWaalsContact O-CG 3.32Å; V161-L165 WeakPolarHBondContact O-CG 3.38Å; V161-L165 PolarHBondContact O-N 3.17Å; L162-L165 PolarHBondContact O-N 3.18Å; L165-R168 WeakPolarHBondContact O-CB 3.45Å; L165-R168 PolarHBondContact O-N 2.93Å; L165-F193 HydrophobicContact CD2-CE1 4.14Å; L165-F193 HydrophobicContact CD2-CZ 4.43Å; L165-F193 HydrophobicContact CG-CZ 4.39Å |
| 166 | K | 98.7 | Very high | 98.3 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 173.6 | -172.9 | 55.9 | 171.4 | 171.1 | 0 | 111.5 | I122 A125 D126 N129 L162 S163 I164 R168 E169 | I122-K166 HydrophobicContact CG2-CD 4.43Å; I122-K166 HydrophobicContact CG2-CG 4.19Å; A125-K166 HydrophobicContact CB-CB 3.83Å; A125-K166 HydrophobicContact CB-CG 3.79Å; D126-K166 HydrophobicContact CB-CG 4.47Å; D126-K166 VanDerWaalsContact OD1-CE 3.22Å; D126-K166 WeakPolarHBondContact OD1-CE 3.35Å; D126-K166 IonicContact OD1-NZ 2.77Å; N129-K166 PolarHBondContact ND2-O 3.45Å; L162-K166 WeakPolarHBondContact O-CB 3.38Å; L162-K166 PolarHBondContact O-N 2.83Å; S163-K166 WeakPolarHBondContact O-CB 3.49Å; S163-K166 PolarHBondContact O-N 3.06Å; I164-K166 VanDerWaalsContact C-N 3.27Å; I164-K166 PolarHBondContact O-N 2.92Å; K166-R168 PolarHBondContact O-N 2.86Å; K166-E169 WeakPolarHBondContact CD-OE1 3.39Å; K166-E169 VanDerWaalsContact NZ-CD 3.32Å; K166-E169 IonicContact NZ-OE1 2.95Å; K166-E169 PolarHBondContact NZ-OE1 2.71Å; K166-E169 VanDerWaalsContact NZ-OE1 3.09Å; K166-E169 IonicContact NZ-OE2 3.98Å; K166-E169 PolarHBondContact NZ-OE2 3.2Å; K166-E169 VanDerWaalsContact O-CB 3.3Å; K166-E169 WeakPolarHBondContact O-CB 3.42Å; K166-E169 WeakPolarHBondContact O-CG 3.31Å; K166-E169 PolarHBondContact O-N 3.36Å; K166-E169 VanDerWaalsContact O-N 3.16Å |
| 167 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | 177.2 | -72.2 | 172.1 | 0 | 0 | 0 | 112.7 | A125 L128 N129 S163 I164 E169 R170 Y171 I174 A263 V265 | A125-L167 HydrophobicContact CB-CD2 4.05Å; A125-L167 HydrophobicContact CB-CG 3.84Å; L128-L167 HydrophobicContact CB-CD2 3.88Å; L128-L167 HydrophobicContact CD1-CD2 4.07Å; N129-L167 WeakPolarHBondContact OD1-CA 3.24Å; N129-L167 PolarHBondContact OD1-O 2.96Å; S163-L167 WeakPolarHBondContact O-CG 3.32Å; S163-L167 PolarHBondContact O-N 2.77Å; I164-L167 PolarHBondContact O-N 3.45Å; L167-E169 PolarHBondContact O-N 3.17Å; L167-R170 PolarHBondContact O-N 3.05Å; L167-Y171 HydrophobicContact CB-CD2 4.31Å; L167-Y171 HydrophobicContact CD2-CD2 3.93Å; L167-Y171 HydrophobicContact CD2-CE2 4.01Å; L167-Y171 PolarHBondContact O-N 3.27Å; L167-I174 HydrophobicContact CB-CD1 3.64Å; L167-I174 HydrophobicContact CB-CG1 4.37Å; L167-I174 HydrophobicContact CD1-CD1 4.42Å; L167-I174 HydrophobicContact CD1-CG2 4.48Å; L167-A263 HydrophobicContact CD1-CB 4.48Å; L167-V265 HydrophobicContact CD1-CG2 3.42Å; L167-V265 VanDerWaalsContact CD1-CG2 3.42Å |
| 168 | R | 98.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 31.6 Ų | 31.6 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.5 | -16.6 | 179.3 | -75.4 | -69.6 | -63.4 | 99.9 | 2.6 | 114 | I164 L165 K166 R170 Y171 K172 I174 V199 | I164-R168 HydrophobicContact CG2-CG 4.33Å; I164-R168 VanDerWaalsContact O-CG 3.28Å; I164-R168 WeakPolarHBondContact O-CG 3.23Å; I164-R168 PolarHBondContact O-N 3.02Å; L165-R168 WeakPolarHBondContact O-CB 3.45Å; L165-R168 PolarHBondContact O-N 2.93Å; K166-R168 PolarHBondContact O-N 2.86Å; R168-R170 PolarHBondContact O-N 3.43Å; R168-Y171 PolarHBondContact NH1-O 3.36Å; R168-K172 VanDerWaalsContact CZ-O 3.25Å; R168-K172 PolarHBondContact NE-O 3.23Å; R168-K172 VanDerWaalsContact NH1-CA 3.29Å; R168-K172 PolarHBondContact NH1-O 2.84Å; R168-I174 HydrophobicContact CG-CG1 3.89Å; R168-V199 HydrophobicContact CG-CG2 4.37Å |
| 169 | E | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 31.7 Ų | 31.7 | 57% | 0.565 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.8 | 170.3 | -65.3 | 177.1 | -176.1 | 0 | 0 | 112.2 | K166 L167 | K166-E169 WeakPolarHBondContact CD-OE1 3.39Å; K166-E169 VanDerWaalsContact NZ-CD 3.32Å; K166-E169 IonicContact NZ-OE1 2.95Å; K166-E169 PolarHBondContact NZ-OE1 2.71Å; K166-E169 VanDerWaalsContact NZ-OE1 3.09Å; K166-E169 IonicContact NZ-OE2 3.98Å; K166-E169 PolarHBondContact NZ-OE2 3.2Å; K166-E169 VanDerWaalsContact O-CB 3.3Å; K166-E169 WeakPolarHBondContact O-CB 3.42Å; K166-E169 WeakPolarHBondContact O-CG 3.31Å; K166-E169 PolarHBondContact O-N 3.36Å; K166-E169 VanDerWaalsContact O-N 3.16Å; L167-E169 PolarHBondContact O-N 3.17Å |
| 170 | R | 98.5 | Very high | 98.3 | Very high | 157 Ų | 157 | 31.8 Ų | 31.8 | 59% | 0.592 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -45.1 | 179 | 179.1 | 175 | 179.8 | 85.4 | -1.4 | 113.3 | N129 L167 R168 | N129-R170 HydrophobicContact CB-CB 4.37Å; N129-R170 WeakPolarHBondContact O-CD 3.2Å; N129-R170 PolarHBondContact O-NE 3.13Å; N129-R170 WeakPolarHBondContact OD1-CB 3.19Å; L167-R170 PolarHBondContact O-N 3.05Å; R168-R170 PolarHBondContact O-N 3.43Å |
| 171 | Y | 98.5 | Very high | 98.3 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 11% | 0.114 | 14% | 0.135 | C | C | . | . | trans | -98.4 | 118.7 | -169.2 | -61.6 | -67.6 | 0 | 0 | 0 | 110.4 | L128 N129 L167 R168 R173 I174 H262 A263 P301 | L128-Y171 PolarHBondContact O-OH 2.78Å; N129-Y171 WeakPolarHBondContact OD1-CD2 3.33Å; N129-Y171 WeakPolarHBondContact OD1-CE2 3.32Å; L167-Y171 HydrophobicContact CB-CD2 4.31Å; L167-Y171 HydrophobicContact CD2-CD2 3.93Å; L167-Y171 HydrophobicContact CD2-CE2 4.01Å; L167-Y171 PolarHBondContact O-N 3.27Å; R168-Y171 PolarHBondContact NH1-O 3.36Å; Y171-R173 PolarHBondContact O-N 3.35Å; Y171-I174 HydrophobicContact CG-CD1 4.5Å; Y171-H262 HydrophobicContact CD1-CB 3.91Å; Y171-H262 HydrophobicContact CG-CB 4.37Å; Y171-A263 HydrophobicContact CD1-CB 4.27Å; Y171-A263 HydrophobicContact CD2-CB 3.71Å; Y171-A263 HydrophobicContact CE2-CB 4.19Å; Y171-A263 HydrophobicContact CG-CB 3.76Å; Y171-P301 HydrophobicContact CE1-CG 3.87Å; Y171-P301 HydrophobicContact CE2-CB 4.3Å; Y171-P301 HydrophobicContact CE2-CG 4.42Å; Y171-P301 WeakPolarHBondContact OH-CG 3.35Å | ||
| 172 | K | 97.8 | Very high | 98.3 | Very high | 142 Ų | 142 | 32.5 Ų | 32.5 | 62% | 0.617 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -62.8 | -39 | -177.8 | -64.8 | -176.6 | 177.8 | 177.9 | 0 | 114.4 | R168 N198 H262 | R168-K172 VanDerWaalsContact CZ-O 3.25Å; R168-K172 PolarHBondContact NE-O 3.23Å; R168-K172 VanDerWaalsContact NH1-CA 3.29Å; R168-K172 PolarHBondContact NH1-O 2.84Å; K172-N198 WeakPolarHBondContact O-CB 3.41Å; K172-H262 PolarHBondContact N-ND1 3.09Å |
| 173 | R | 97.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | trans | -124.1 | 122.6 | -177.1 | -70 | -173.3 | -59.4 | -93.3 | -1.1 | 110.8 | Y171 N198 F259 D260 H262 A263 | Y171-R173 PolarHBondContact O-N 3.35Å; R173-N198 VanDerWaalsContact CA-O 3.27Å; R173-N198 WeakPolarHBondContact CA-O 3.18Å; R173-F259 HydrophobicContact CB-CE1 3.95Å; R173-F259 HydrophobicContact CB-CE2 4.35Å; R173-F259 HydrophobicContact CB-CZ 3.75Å; R173-F259 WeakPolarHBondContact CD-O 3.42Å; R173-F259 HydrophobicContact CG-CE2 4.32Å; R173-F259 HydrophobicContact CG-CZ 4.18Å; R173-F259 PolarHBondContact NE-O 3.21Å; R173-D260 VanDerWaalsContact CZ-O 3.26Å; R173-D260 IonicContact CZ-OD2 3.92Å; R173-D260 PolarHBondContact NE-O 2.67Å; R173-D260 PolarHBondContact NH2-O 2.96Å; R173-D260 IonicContact NH2-OD2 3.63Å; R173-D260 PolarHBondContact NH2-OD2 3.27Å; R173-H262 PolarHBondContact NH2-NE2 2.85Å; R173-H262 PolarHBondContact O-N 3.05Å; R173-A263 PolarHBondContact O-N 2.86Å | ||
| 174 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.2 | 179.4 | -50 | -62.3 | 0 | 0 | 0 | 109 | I164 L167 R168 Y171 N198 V199 M200 F259 A263 V265 | I164-I174 HydrophobicContact CG1-CG2 4.23Å; I164-I174 HydrophobicContact CG2-CB 4.26Å; I164-I174 HydrophobicContact CG2-CG1 4.29Å; I164-I174 HydrophobicContact CG2-CG2 4.18Å; L167-I174 HydrophobicContact CB-CD1 3.64Å; L167-I174 HydrophobicContact CB-CG1 4.37Å; L167-I174 HydrophobicContact CD1-CD1 4.42Å; L167-I174 HydrophobicContact CD1-CG2 4.48Å; R168-I174 HydrophobicContact CG-CG1 3.89Å; Y171-I174 HydrophobicContact CG-CD1 4.5Å; I174-N198 PolarHBondContact N-O 2.91Å; I174-V199 HydrophobicContact CB-CG2 4.33Å; I174-V199 WeakPolarHBondContact O-CA 3.46Å; I174-M200 PolarHBondContact O-N 3.42Å; I174-F259 VanDerWaalsContact O-CE1 3.23Å; I174-F259 WeakPolarHBondContact O-CE1 3.49Å; I174-F259 WeakPolarHBondContact O-CZ 3.38Å; I174-A263 WeakPolarHBondContact CA-O 3.34Å; I174-A263 HydrophobicContact CD1-CB 3.88Å; I174-V265 HydrophobicContact CG2-CG2 4.09Å |
| 175 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.8 | 169.3 | 179.1 | 65.2 | 0 | 0 | 0 | 108.4 | V177 M200 V202 F259 P261 A263 I264 V265 | L175-V177 HydrophobicContact CD1-CG2 4.47Å; L175-V177 HydrophobicContact CD2-CG2 3.91Å; L175-V177 HydrophobicContact CG-CG2 3.82Å; L175-M200 HydrophobicContact CD1-CB 4.08Å; L175-M200 HydrophobicContact CD1-CG 3.96Å; L175-M200 HydrophobicContact CD1-SD 4.13Å; L175-V202 HydrophobicContact CD1-CG2 3.67Å; L175-F259 HydrophobicContact CB-CD1 4.33Å; L175-F259 HydrophobicContact CB-CE1 4.27Å; L175-F259 HydrophobicContact CD1-CD1 4.45Å; L175-P261 HydrophobicContact CB-CB 3.73Å; L175-P261 HydrophobicContact CB-CG 4.05Å; L175-P261 HydrophobicContact CD2-CG 4.24Å; L175-A263 PolarHBondContact N-O 2.87Å; L175-I264 HydrophobicContact CB-CG2 4.43Å; L175-I264 HydrophobicContact CD2-CG2 4.48Å; L175-I264 CarbonylContact O-C 3.54Å; L175-I264 VanDerWaalsContact O-CA 3.26Å; L175-I264 WeakPolarHBondContact O-CA 3.34Å; L175-V265 PolarHBondContact O-N 2.83Å |
| 176 | Y | 98.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.2 | 169.9 | 177.6 | -107.9 | 0 | 0 | 0 | 108.7 | C160 I164 D178 V189 M200 T201 V202 V265 Q267 | C160-Y176 HydrophobicContact CB-CE2 4Å; I164-Y176 HydrophobicContact CD1-CD2 3.87Å; I164-Y176 HydrophobicContact CD1-CG 4.08Å; Y176-D178 HydrophobicContact CD1-CB 4.44Å; Y176-D178 HydrophobicContact CE1-CB 3.72Å; Y176-D178 PolarHBondContact OH-OD2 2.79Å; Y176-V189 HydrophobicContact CD1-CB 4.49Å; Y176-V189 HydrophobicContact CD1-CG1 3.63Å; Y176-V189 HydrophobicContact CD2-CG1 4.38Å; Y176-V189 HydrophobicContact CE1-CB 3.98Å; Y176-V189 HydrophobicContact CE1-CG1 3.52Å; Y176-V189 HydrophobicContact CE1-CG2 4.27Å; Y176-V189 HydrophobicContact CE2-CG1 4.32Å; Y176-V189 HydrophobicContact CG-CG1 4.05Å; Y176-M200 PolarHBondContact N-O 3.22Å; Y176-T201 HydrophobicContact CD1-CG2 4.07Å; Y176-T201 CarbonylContact O-C 3.58Å; Y176-V202 PolarHBondContact O-N 2.9Å; Y176-V265 CarbonylContact C-O 3.59Å; Y176-V265 WeakPolarHBondContact CA-O 3.36Å; Y176-V265 HydrophobicContact CD2-CB 3.96Å; Y176-V265 HydrophobicContact CD2-CG1 3.84Å; Y176-V265 HydrophobicContact CE2-CG1 4.09Å; Y176-Q267 HydrophobicContact CE2-CB 4.1Å; Y176-Q267 WeakPolarHBondContact OH-CB 3.47Å |
| 177 | V | 98.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.3 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L175 L179 V202 F204 I264 V265 V266 Q267 I295 | L175-V177 HydrophobicContact CD1-CG2 4.47Å; L175-V177 HydrophobicContact CD2-CG2 3.91Å; L175-V177 HydrophobicContact CG-CG2 3.82Å; V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.32Å; V177-V202 CarbonylContact C-O 3.56Å; V177-V202 WeakPolarHBondContact CA-O 3.41Å; V177-F204 HydrophobicContact CG1-CE2 4.27Å; V177-I264 HydrophobicContact CG2-CG2 4.27Å; V177-V265 PolarHBondContact N-O 3.1Å; V177-V266 HydrophobicContact CB-CG1 4.44Å; V177-V266 CarbonylContact O-C 3.58Å; V177-V266 VanDerWaalsContact O-CA 3.29Å; V177-V266 WeakPolarHBondContact O-CA 3.46Å; V177-Q267 PolarHBondContact O-N 3.13Å; V177-I295 HydrophobicContact CB-CD1 4.5Å; V177-I295 HydrophobicContact CG1-CD1 4.16Å |
| 178 | D | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.9 | -176.8 | -163.3 | -23.4 | 0 | 0 | 0 | 110.1 | H144 Y176 D180 G184 V202 F204 Q267 | H144-D178 IonicContact CE1-OD1 3.14Å; H144-D178 IonicContact CE1-OD2 3.43Å; H144-D178 IonicContact CG-OD2 3.1Å; H144-D178 IonicContact ND1-OD1 3.12Å; H144-D178 IonicContact ND1-OD2 2.89Å; H144-D178 PolarHBondContact ND1-OD2 2.57Å; Y176-D178 HydrophobicContact CD1-CB 4.44Å; Y176-D178 HydrophobicContact CE1-CB 3.72Å; Y176-D178 PolarHBondContact OH-OD2 2.79Å; D178-D180 VanDerWaalsContact OD1-CB 3.23Å; D178-D180 WeakPolarHBondContact OD1-CB 3.45Å; D178-D180 PolarHBondContact OD1-N 2.98Å; D178-G184 VanDerWaalsContact OD2-CA 3.29Å; D178-G184 WeakPolarHBondContact OD2-CA 3.26Å; D178-V202 PolarHBondContact N-O 3Å; D178-F204 PolarHBondContact O-N 3.46Å; D178-F204 VanDerWaalsContact O-N 3.1Å; D178-Q267 PolarHBondContact OD1-OE1 2.82Å |
| 179 | L | 98.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | trans | -107.7 | 6.4 | -179.9 | -50.5 | -169.6 | 0 | 0 | 0 | 112.5 | V177 F204 F244 Q267 L268 Y288 | V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.32Å; L179-F204 HydrophobicContact CD2-CD2 3.68Å; L179-F204 HydrophobicContact CD2-CE2 4.1Å; L179-F204 HydrophobicContact CD2-CG 4.43Å; L179-F244 HydrophobicContact CD2-CE1 4.49Å; L179-F244 HydrophobicContact CD2-CZ 4.06Å; L179-Q267 PolarHBondContact N-O 2.87Å; L179-Q267 VanDerWaalsContact N-O 3.1Å; L179-L268 HydrophobicContact CD1-CD2 3.85Å; L179-Y288 HydrophobicContact CB-CE1 4.39Å | ||
| 180 | D | 98.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -59.8 | 151.7 | 168.3 | -155.9 | -81 | 0 | 0 | 0 | 110.5 | H144 D178 H182 F204 Q267 G269 G308 | H144-D180 VanDerWaalsContact CE1-CB 3.47Å; H144-D180 WeakPolarHBondContact CE1-CB 3.34Å; H144-D180 IonicContact CE1-OD1 2.91Å; H144-D180 IonicContact NE2-OD1 3.02Å; D178-D180 VanDerWaalsContact OD1-CB 3.23Å; D178-D180 WeakPolarHBondContact OD1-CB 3.45Å; D178-D180 PolarHBondContact OD1-N 2.98Å; D180-H182 PolarHBondContact O-N 3.43Å; D180-H182 WeakPolarHBondContact OD1-CB 3.32Å; D180-H182 IonicContact OD1-CG 3.79Å; D180-H182 PolarHBondContact OD1-N 3Å; D180-H182 IonicContact OD1-ND1 3.66Å; D180-H182 PolarHBondContact OD1-ND1 3.11Å; D180-F204 VanDerWaalsContact O-O 3.1Å; D180-Q267 PolarHBondContact OD2-NE2 3.36Å; D180-G269 WeakPolarHBondContact OD2-CA 3.29Å; D180-G308 WeakPolarHBondContact OD2-CA 3.5Å; D180-G308 PolarHBondContact OD2-N 2.98Å |
| 181 | V | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -71.7 | -20.5 | 177.4 | 78.9 | 0 | 0 | 0 | 0 | 113 | H205 L206 F211 D271 A280 F281 | V181-H205 CarbonylContact O-C 3.53Å; V181-H205 WeakPolarHBondContact O-CA 3.2Å; V181-H205 VanDerWaalsContact O-CB 3.29Å; V181-H205 WeakPolarHBondContact O-CB 3.24Å; V181-L206 HydrophobicContact CG2-CB 3.94Å; V181-L206 PolarHBondContact O-N 3.33Å; V181-F211 HydrophobicContact CG1-CE1 4.4Å; V181-F211 HydrophobicContact CG1-CZ 3.96Å; V181-F211 HydrophobicContact CG2-CZ 4.47Å; V181-D271 HydrophobicContact CG1-CB 4.12Å; V181-D271 VanDerWaalsContact CG1-CG 3.43Å; V181-D271 WeakPolarHBondContact CG1-OD1 2.96Å; V181-D271 PolarHBondContact N-OD1 3.31Å; V181-A280 HydrophobicContact CB-CB 4.3Å; V181-A280 HydrophobicContact CG1-CB 4.19Å; V181-A280 HydrophobicContact CG2-CB 3.29Å; V181-F281 HydrophobicContact CB-CD2 4.49Å; V181-F281 HydrophobicContact CB-CE2 4.44Å; V181-F281 HydrophobicContact CG2-CD1 4.24Å; V181-F281 HydrophobicContact CG2-CD2 3.69Å; V181-F281 HydrophobicContact CG2-CE1 4.18Å; V181-F281 HydrophobicContact CG2-CE2 3.63Å; V181-F281 HydrophobicContact CG2-CG 3.99Å; V181-F281 HydrophobicContact CG2-CZ 3.88Å |
| 182 | H | 97.6 | Very high | 91 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -89.8 | 147.6 | 174.9 | -51.2 | 88.3 | 0 | 0 | 0 | 110.6 | H144 H145 D180 G184 F211 Y212 D271 N278 | H144-H182 PolarHBondContact CE1-O 3.47Å; H145-H182 WeakPolarHBondContact NE2-CB 3.44Å; D180-H182 PolarHBondContact O-N 3.43Å; D180-H182 WeakPolarHBondContact OD1-CB 3.32Å; D180-H182 IonicContact OD1-CG 3.79Å; D180-H182 PolarHBondContact OD1-N 3Å; D180-H182 IonicContact OD1-ND1 3.66Å; D180-H182 PolarHBondContact OD1-ND1 3.11Å; H182-G184 PolarHBondContact O-N 3.03Å; H182-F211 AromaticContact CD2-CE1 3.56Å; H182-F211 AromaticContact CD2-CZ 3.66Å; H182-F211 AromaticContact NE2-CE1 3.98Å; H182-F211 AromaticContact NE2-CZ 3.56Å; H182-Y212 PolarHBondContact CD2-O 2.54Å; H182-D271 IonicContact CE1-OD2 2.68Å; H182-D271 PolarHBondContact CE1-OD2 3.35Å; H182-D271 IonicContact ND1-OD2 3.97Å; H182-D271 PolarHBondContact ND1-OD2 3.48Å; H182-D271 VanDerWaalsContact ND1-OD2 3.12Å; H182-N278 PolarHBondContact CE1-ND2 3.39Å |
| 183 | H | 97 | Very high | 90.9 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | trans | -64.9 | 128.2 | 174.3 | 178.6 | -146 | 0 | 0 | 0 | 110.2 | H145 D185 E190 H205 P213 S215 G216 N232 | H145-H183 PolarHBondContact CE1-O 3.2Å; H183-D185 WeakPolarHBondContact ND1-CA 3.4Å; H183-D185 PolarHBondContact O-N 3.47Å; H183-E190 IonicContact CE1-OE2 3.09Å; H183-E190 IonicContact NE2-OE2 3.12Å; H183-E190 PolarHBondContact NE2-OE2 2.85Å; H183-H205 HydrophobicContact CB-CB 4.2Å; H183-H205 AromaticContact CD2-CE1 3.36Å; H183-H205 PolarHBondContact CD2-CE1 2.82Å; H183-H205 AromaticContact CD2-ND1 3.51Å; H183-H205 AromaticContact CG-CE1 3.65Å; H183-H205 AromaticContact CG-ND1 3.82Å; H183-P213 HydrophobicContact CB-CG 3.97Å; H183-S215 PolarHBondContact ND1-O 2.98Å; H183-S215 PolarHBondContact ND1-OG 3.15Å; H183-G216 WeakPolarHBondContact CE1-CA 3.38Å; H183-G216 PolarHBondContact CE1-N 2.86Å; H183-G216 VanDerWaalsContact ND1-CA 3.29Å; H183-G216 WeakPolarHBondContact ND1-CA 3.39Å; H183-G216 PolarHBondContact ND1-N 2.89Å; H183-G216 VanDerWaalsContact ND1-N 3.18Å; H183-N232 PolarHBondContact CD2-OD1 2.87Å; H183-N232 PolarHBondContact NE2-OD1 2.94Å | ||
| 184 | G | 86.5 | Confident | 90.8 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | trans | -68.2 | 70.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D178 H182 E190 | D178-G184 VanDerWaalsContact OD2-CA 3.29Å; D178-G184 WeakPolarHBondContact OD2-CA 3.26Å; H182-G184 PolarHBondContact O-N 3.03Å; G184-E190 WeakPolarHBondContact O-CB 3.39Å; G184-E190 PolarHBondContact O-N 2.94Å | ||
| 185 | D | 76.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | trans | -61.9 | 164.4 | -142.5 | 63.2 | 56.3 | 0 | 0 | 0 | 119.7 | H145 H183 A187 S188 E190 P213 S215 | H145-D185 IonicContact CE1-OD2 3.95Å; H145-D185 IonicContact CG-OD2 3.85Å; H145-D185 IonicContact ND1-OD2 3.62Å; H145-D185 PolarHBondContact ND1-OD2 2.89Å; H183-D185 WeakPolarHBondContact ND1-CA 3.4Å; H183-D185 PolarHBondContact O-N 3.47Å; D185-A187 PolarHBondContact O-N 2.82Å; D185-A187 VanDerWaalsContact OD1-C 3.24Å; D185-A187 VanDerWaalsContact OD1-CA 3.24Å; D185-A187 WeakPolarHBondContact OD1-CA 3.34Å; D185-A187 WeakPolarHBondContact OD1-CB 3.23Å; D185-A187 PolarHBondContact OD1-N 2.57Å; D185-S188 PolarHBondContact N-OG 3.37Å; D185-S188 VanDerWaalsContact N-OG 3.11Å; D185-S188 PolarHBondContact O-N 3.47Å; D185-S188 PolarHBondContact O-OG 3.46Å; D185-S188 VanDerWaalsContact OD1-CB 3.32Å; D185-S188 WeakPolarHBondContact OD1-CB 3.42Å; D185-S188 PolarHBondContact OD1-N 2.88Å; D185-S188 PolarHBondContact OD1-OG 3.29Å; D185-S188 VanDerWaalsContact OD1-OG 3.06Å; D185-E190 WeakPolarHBondContact O-CB 3.31Å; D185-E190 PolarHBondContact O-N 2.95Å; D185-P213 HydrophobicContact CB-CB 4.14Å; D185-P213 HydrophobicContact CB-CG 3.53Å; D185-S215 WeakPolarHBondContact CB-OG 3.33Å | ||
| 186 | G | 56.7 | Low | 90.4 | Very high | 27 Ų | 27 | 17.3 Ų | 17.3 | 28% | 0.278 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 16.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E191 | G186-E191 WeakPolarHBondContact O-CB 3.29Å; G186-E191 VanDerWaalsContact O-OE2 3.12Å |
| 187 | A | 58.6 | Low | 90.2 | Very high | 29 Ų | 29 | 18 Ų | 18 | 24% | 0.24 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 0.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R147 D185 | R147-A187 VanDerWaalsContact CG-O 3.23Å; R147-A187 WeakPolarHBondContact CG-O 3.47Å; D185-A187 PolarHBondContact O-N 2.82Å; D185-A187 VanDerWaalsContact OD1-C 3.24Å; D185-A187 VanDerWaalsContact OD1-CA 3.24Å; D185-A187 WeakPolarHBondContact OD1-CA 3.34Å; D185-A187 WeakPolarHBondContact OD1-CB 3.23Å; D185-A187 PolarHBondContact OD1-N 2.57Å |
| 188 | S | 85.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -103.4 | -175 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | H144 H145 D185 A192 | H144-S188 WeakPolarHBondContact O-CB 3.47Å; H144-S188 PolarHBondContact O-OG 3.22Å; H145-S188 WeakPolarHBondContact O-CB 3.21Å; D185-S188 PolarHBondContact N-OG 3.37Å; D185-S188 VanDerWaalsContact N-OG 3.11Å; D185-S188 PolarHBondContact O-N 3.47Å; D185-S188 PolarHBondContact O-OG 3.46Å; D185-S188 VanDerWaalsContact OD1-CB 3.32Å; D185-S188 WeakPolarHBondContact OD1-CB 3.42Å; D185-S188 PolarHBondContact OD1-N 2.88Å; D185-S188 PolarHBondContact OD1-OG 3.29Å; D185-S188 VanDerWaalsContact OD1-OG 3.06Å; S188-A192 VanDerWaalsContact O-CB 3.3Å; S188-A192 WeakPolarHBondContact O-CB 3.28Å; S188-A192 PolarHBondContact O-N 3.28Å |
| 189 | V | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.8 | -46.9 | -177.7 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | H144 C160 V161 I164 Y176 A192 F193 T201 | H144-V189 HydrophobicContact CB-CG2 3.85Å; H144-V189 WeakPolarHBondContact O-CG2 3.24Å; C160-V189 HydrophobicContact CB-CG2 3.78Å; V161-V189 HydrophobicContact CG2-CB 4.39Å; V161-V189 HydrophobicContact CG2-CG1 4.38Å; V161-V189 HydrophobicContact CG2-CG2 4.2Å; I164-V189 HydrophobicContact CD1-CG1 4.13Å; Y176-V189 HydrophobicContact CD1-CB 4.49Å; Y176-V189 HydrophobicContact CD1-CG1 3.63Å; Y176-V189 HydrophobicContact CD2-CG1 4.38Å; Y176-V189 HydrophobicContact CE1-CB 3.98Å; Y176-V189 HydrophobicContact CE1-CG1 3.52Å; Y176-V189 HydrophobicContact CE1-CG2 4.27Å; Y176-V189 HydrophobicContact CE2-CG1 4.32Å; Y176-V189 HydrophobicContact CG-CG1 4.05Å; V189-A192 PolarHBondContact O-N 3.15Å; V189-F193 HydrophobicContact CG1-CD2 4.37Å; V189-F193 HydrophobicContact CG1-CE2 4.41Å; V189-F193 VanDerWaalsContact O-CD2 3.26Å; V189-F193 WeakPolarHBondContact O-CD2 3.4Å; V189-T201 HydrophobicContact CG1-CG2 4.36Å |
| 190 | E | 92.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.9 | 179.3 | 174 | 116.4 | 0 | 0 | 110.8 | H183 G184 D185 A192 F193 I194 A230 N232 | H183-E190 IonicContact CE1-OE2 3.09Å; H183-E190 IonicContact NE2-OE2 3.12Å; H183-E190 PolarHBondContact NE2-OE2 2.85Å; G184-E190 WeakPolarHBondContact O-CB 3.39Å; G184-E190 PolarHBondContact O-N 2.94Å; D185-E190 WeakPolarHBondContact O-CB 3.31Å; D185-E190 PolarHBondContact O-N 2.95Å; E190-A192 PolarHBondContact O-N 2.9Å; E190-F193 CarbonylContact O-C 3.57Å; E190-F193 PolarHBondContact O-N 2.88Å; E190-F193 VanDerWaalsContact O-N 3.09Å; E190-I194 WeakPolarHBondContact O-CA 3.43Å; E190-I194 WeakPolarHBondContact O-CB 3.48Å; E190-I194 PolarHBondContact O-N 2.9Å; E190-A230 HydrophobicContact CG-CB 3.96Å; E190-A230 WeakPolarHBondContact OE2-CB 3.35Å; E190-N232 PolarHBondContact OE2-ND2 3.4Å; E190-N232 PolarHBondContact OE2-OD1 3.05Å |
| 191 | E | 92.5 | Very high | 90 | Very high | 93 Ų | 93 | 21.2 Ų | 21.2 | 44% | 0.435 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 179.1 | -172.3 | 55.1 | -168 | 0 | 0 | 113.1 | G186 F193 I194 | G186-E191 WeakPolarHBondContact O-CB 3.29Å; G186-E191 VanDerWaalsContact O-OE2 3.12Å; E191-F193 PolarHBondContact O-N 2.81Å; E191-I194 WeakPolarHBondContact O-CG2 3.36Å; E191-I194 PolarHBondContact O-N 2.84Å; E191-I194 WeakPolarHBondContact OE2-CD1 3.49Å |
| 192 | A | 94 | Very high | 90 | Very high | 38 Ų | 38 | 21.2 Ų | 21.2 | 31% | 0.314 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.1 | -23.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F66 V161 S188 V189 E190 | F66-A192 HydrophobicContact CE2-CB 3.84Å; F66-A192 HydrophobicContact CZ-CB 4.33Å; V161-A192 HydrophobicContact CB-CB 4.49Å; V161-A192 HydrophobicContact CG1-CB 3.94Å; V161-A192 HydrophobicContact CG2-CB 3.63Å; S188-A192 VanDerWaalsContact O-CB 3.3Å; S188-A192 WeakPolarHBondContact O-CB 3.28Å; S188-A192 PolarHBondContact O-N 3.28Å; V189-A192 PolarHBondContact O-N 3.15Å; E190-A192 PolarHBondContact O-N 2.9Å |
| 193 | F | 96 | Very high | 90 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -125.3 | 9.1 | -177.9 | -56.4 | -63.1 | 0 | 0 | 0 | 114.5 | V161 I164 L165 V189 E190 E191 A195 S196 V199 | V161-F193 HydrophobicContact CB-CE2 4.46Å; V161-F193 HydrophobicContact CG1-CE2 4.28Å; V161-F193 HydrophobicContact CG1-CZ 4.02Å; V161-F193 HydrophobicContact CG2-CE2 4.11Å; I164-F193 HydrophobicContact CB-CE2 4.03Å; I164-F193 HydrophobicContact CB-CZ 3.8Å; I164-F193 HydrophobicContact CD1-CD2 4.36Å; I164-F193 HydrophobicContact CD1-CE2 3.65Å; I164-F193 HydrophobicContact CD1-CZ 4.32Å; I164-F193 HydrophobicContact CG1-CE2 4.46Å; I164-F193 HydrophobicContact CG2-CE1 3.94Å; I164-F193 HydrophobicContact CG2-CE2 3.77Å; I164-F193 HydrophobicContact CG2-CZ 3.38Å; L165-F193 HydrophobicContact CD2-CE1 4.14Å; L165-F193 HydrophobicContact CD2-CZ 4.43Å; L165-F193 HydrophobicContact CG-CZ 4.39Å; V189-F193 HydrophobicContact CG1-CD2 4.37Å; V189-F193 HydrophobicContact CG1-CE2 4.41Å; V189-F193 VanDerWaalsContact O-CD2 3.26Å; V189-F193 WeakPolarHBondContact O-CD2 3.4Å; E190-F193 CarbonylContact O-C 3.57Å; E190-F193 PolarHBondContact O-N 2.88Å; E190-F193 VanDerWaalsContact O-N 3.09Å; E191-F193 PolarHBondContact O-N 2.81Å; F193-A195 PolarHBondContact O-N 2.82Å; F193-S196 VanDerWaalsContact O-CB 3.31Å; F193-S196 WeakPolarHBondContact O-CB 3.39Å; F193-S196 PolarHBondContact O-N 3.34Å; F193-V199 HydrophobicContact CB-CB 3.87Å; F193-V199 HydrophobicContact CB-CG1 3.97Å; F193-V199 HydrophobicContact CD1-CB 3.88Å; F193-V199 HydrophobicContact CD1-CG1 4.16Å; F193-V199 HydrophobicContact CD1-CG2 3.7Å; F193-V199 HydrophobicContact CD2-CB 4.31Å; F193-V199 HydrophobicContact CD2-CG1 3.71Å; F193-V199 HydrophobicContact CE1-CG2 3.98Å; F193-V199 HydrophobicContact CE2-CG1 4.26Å; F193-V199 HydrophobicContact CG-CB 3.73Å; F193-V199 HydrophobicContact CG-CG1 3.65Å; F193-V199 HydrophobicContact CG-CG2 4.07Å |
| 194 | I | 95.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 20.7 Ų | 20.7 | 18% | 0.179 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27.3 | -170.1 | -161.2 | 174 | 0 | 0 | 0 | 113.7 | E190 E191 V223 G226 | E190-I194 WeakPolarHBondContact O-CA 3.43Å; E190-I194 WeakPolarHBondContact O-CB 3.48Å; E190-I194 PolarHBondContact O-N 2.9Å; E191-I194 WeakPolarHBondContact O-CG2 3.36Å; E191-I194 PolarHBondContact O-N 2.84Å; E191-I194 WeakPolarHBondContact OE2-CD1 3.49Å; I194-V223 HydrophobicContact CD1-CG1 4.26Å; I194-V223 HydrophobicContact CD1-CG2 4.48Å; I194-V223 HydrophobicContact CG1-CG1 4.43Å; I194-V223 HydrophobicContact CG1-CG2 4.13Å; I194-V223 HydrophobicContact CG2-CG2 4.01Å; I194-V223 PolarHBondContact O-N 3.36Å; I194-G226 WeakPolarHBondContact O-CA 3.42Å |
| 195 | A | 94.3 | Very high | 90.6 | Very high | 56 Ų | 56 | 20.5 Ų | 20.5 | 46% | 0.463 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F193 V223 R225 G226 | F193-A195 PolarHBondContact O-N 2.82Å; A195-V223 WeakPolarHBondContact CA-O 3.17Å; A195-V223 HydrophobicContact CB-CG2 4.23Å; A195-R225 WeakPolarHBondContact O-CB 3.34Å; A195-G226 VanDerWaalsContact C-N 3.31Å; A195-G226 PolarHBondContact O-N 2.99Å |
| 196 | S | 94.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | trans | -102.8 | 129 | -175.1 | -177 | 0 | 0 | 0 | 0 | 112 | F193 N198 G226 | F193-S196 VanDerWaalsContact O-CB 3.31Å; F193-S196 WeakPolarHBondContact O-CB 3.39Å; F193-S196 PolarHBondContact O-N 3.34Å; S196-N198 VanDerWaalsContact C-N 3.27Å; S196-N198 PolarHBondContact OG-N 3.27Å; S196-N198 VanDerWaalsContact OG-N 3.13Å; S196-G226 WeakPolarHBondContact O-CA 3.22Å | ||
| 197 | A | 95.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -83.5 | -2.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R225 Y229 F259 | A197-R225 WeakPolarHBondContact CB-O 3.4Å; A197-Y229 HydrophobicContact CB-CD2 4.24Å; A197-Y229 HydrophobicContact CB-CE1 4.06Å; A197-Y229 HydrophobicContact CB-CE2 3.75Å; A197-Y229 VanDerWaalsContact O-CE1 3.25Å; A197-Y229 WeakPolarHBondContact O-CE1 3.43Å; A197-F259 WeakPolarHBondContact O-CE2 3.25Å |
| 198 | N | 96.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 22.1 Ų | 22.1 | 33% | 0.332 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -98.9 | -10.2 | -175 | -67.5 | -47.1 | 0 | 0 | 0 | 112.9 | K172 R173 I174 S196 | K172-N198 WeakPolarHBondContact O-CB 3.41Å; R173-N198 VanDerWaalsContact CA-O 3.27Å; R173-N198 WeakPolarHBondContact CA-O 3.18Å; I174-N198 PolarHBondContact N-O 2.91Å; S196-N198 VanDerWaalsContact C-N 3.27Å; S196-N198 PolarHBondContact OG-N 3.27Å; S196-N198 VanDerWaalsContact OG-N 3.13Å |
| 199 | V | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.3 | 174.7 | 180 | 0 | 0 | 0 | 0 | 106.2 | I164 R168 I174 F193 | I164-V199 HydrophobicContact CG2-CG1 4.06Å; I164-V199 HydrophobicContact CG2-CG2 3.79Å; R168-V199 HydrophobicContact CG-CG2 4.37Å; I174-V199 HydrophobicContact CB-CG2 4.33Å; I174-V199 WeakPolarHBondContact O-CA 3.46Å; F193-V199 HydrophobicContact CB-CB 3.87Å; F193-V199 HydrophobicContact CB-CG1 3.97Å; F193-V199 HydrophobicContact CD1-CB 3.88Å; F193-V199 HydrophobicContact CD1-CG1 4.16Å; F193-V199 HydrophobicContact CD1-CG2 3.7Å; F193-V199 HydrophobicContact CD2-CB 4.31Å; F193-V199 HydrophobicContact CD2-CG1 3.71Å; F193-V199 HydrophobicContact CE1-CG2 3.98Å; F193-V199 HydrophobicContact CE2-CG1 4.26Å; F193-V199 HydrophobicContact CG-CB 3.73Å; F193-V199 HydrophobicContact CG-CG1 3.65Å; F193-V199 HydrophobicContact CG-CG2 4.07Å |
| 200 | M | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.4 | 174.2 | 175.6 | 174.1 | -78.7 | 0 | 0 | 108.2 | I174 L175 Y176 V202 Y229 V231 L255 F259 L380 | I174-M200 PolarHBondContact O-N 3.42Å; L175-M200 HydrophobicContact CD1-CB 4.08Å; L175-M200 HydrophobicContact CD1-CG 3.96Å; L175-M200 HydrophobicContact CD1-SD 4.13Å; Y176-M200 PolarHBondContact N-O 3.22Å; M200-V202 HydrophobicContact CG-CG2 4.22Å; M200-Y229 CarbonylContact C-O 3.52Å; M200-Y229 WeakPolarHBondContact CA-O 2.98Å; M200-Y229 HydrophobicContact CB-CD1 4.45Å; M200-Y229 HydrophobicContact CE-CD1 3.84Å; M200-Y229 HydrophobicContact CE-CE1 4.41Å; M200-Y229 HydrophobicContact CE-CG 4.44Å; M200-Y229 WeakPolarHBondContact CG-O 3.32Å; M200-V231 HydrophobicContact CG-CG2 4.48Å; M200-V231 HydrophobicContact SD-CG2 4.44Å; M200-L255 HydrophobicContact SD-CD2 3.62Å; M200-F259 HydrophobicContact CB-CD1 3.78Å; M200-F259 HydrophobicContact CB-CD2 3.8Å; M200-F259 HydrophobicContact CB-CE1 3.68Å; M200-F259 HydrophobicContact CB-CE2 3.69Å; M200-F259 HydrophobicContact CB-CG 3.85Å; M200-F259 HydrophobicContact CB-CZ 3.62Å; M200-F259 HydrophobicContact CE-CB 3.68Å; M200-F259 HydrophobicContact CE-CD2 3.71Å; M200-F259 HydrophobicContact CE-CG 3.81Å; M200-F259 HydrophobicContact CG-CG 4.46Å; M200-F259 HydrophobicContact SD-CB 3.67Å; M200-F259 HydrophobicContact SD-CD1 4.21Å; M200-F259 HydrophobicContact SD-CD2 4.19Å; M200-F259 HydrophobicContact SD-CG 3.77Å; M200-L380 HydrophobicContact CE-CD1 3.69Å |
| 201 | T | 97.7 | Very high | 96 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.8 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | Y176 V189 Y229 V231 | Y176-T201 HydrophobicContact CD1-CG2 4.07Å; Y176-T201 CarbonylContact O-C 3.58Å; V189-T201 HydrophobicContact CG1-CG2 4.36Å; T201-Y229 PolarHBondContact N-O 2.86Å; T201-V231 PolarHBondContact O-N 3.14Å |
| 202 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | L175 Y176 V177 D178 M200 F204 V231 L255 | L175-V202 HydrophobicContact CD1-CG2 3.67Å; Y176-V202 PolarHBondContact O-N 2.9Å; V177-V202 CarbonylContact C-O 3.56Å; V177-V202 WeakPolarHBondContact CA-O 3.41Å; D178-V202 PolarHBondContact N-O 3Å; M200-V202 HydrophobicContact CG-CG2 4.22Å; V202-F204 HydrophobicContact CG1-CD2 4.36Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 4.07Å; V202-V231 VanDerWaalsContact CA-O 3.28Å; V202-V231 WeakPolarHBondContact CA-O 3.32Å; V202-V231 HydrophobicContact CB-CB 4.42Å; V202-V231 HydrophobicContact CG1-CB 4.21Å; V202-V231 HydrophobicContact CG1-CG1 4.2Å; V202-V231 HydrophobicContact CG2-CB 4.12Å; V202-L255 HydrophobicContact CB-CD1 4.35Å; V202-L255 HydrophobicContact CG1-CD1 3.96Å; V202-L255 HydrophobicContact CG2-CD1 3.6Å; V202-L255 HydrophobicContact CG2-CD2 4.08Å; V202-L255 HydrophobicContact CG2-CG 4.49Å |
| 203 | S | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.2 | -177.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | H205 V231 V233 | S203-H205 WeakPolarHBondContact CB-ND1 3.41Å; S203-H205 PolarHBondContact OG-ND1 2.97Å; S203-V231 PolarHBondContact N-O 3.12Å; S203-V233 WeakPolarHBondContact O-CB 3.43Å; S203-V233 PolarHBondContact O-N 2.92Å |
| 204 | F | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 92.1 | 178.6 | -60.8 | -102.7 | 0 | 0 | 0 | 109.6 | V177 D178 L179 D180 V202 V233 L235 F244 I247 L248 I251 | V177-F204 HydrophobicContact CG1-CE2 4.27Å; D178-F204 PolarHBondContact O-N 3.46Å; D178-F204 VanDerWaalsContact O-N 3.1Å; L179-F204 HydrophobicContact CD2-CD2 3.68Å; L179-F204 HydrophobicContact CD2-CE2 4.1Å; L179-F204 HydrophobicContact CD2-CG 4.43Å; D180-F204 VanDerWaalsContact O-O 3.1Å; V202-F204 HydrophobicContact CG1-CD2 4.36Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 4.07Å; F204-V233 HydrophobicContact CD1-CB 3.84Å; F204-V233 HydrophobicContact CD1-CG1 3.92Å; F204-V233 HydrophobicContact CD1-CG2 3.86Å; F204-V233 HydrophobicContact CE1-CB 4.29Å; F204-V233 HydrophobicContact CE1-CG1 4.28Å; F204-V233 HydrophobicContact CE1-CG2 3.85Å; F204-V233 HydrophobicContact CG-CB 4.28Å; F204-V233 HydrophobicContact CG-CG2 4.31Å; F204-V233 HydrophobicContact CZ-CG2 4.28Å; F204-L235 HydrophobicContact CB-CD1 4.08Å; F204-F244 HydrophobicContact CB-CE2 3.98Å; F204-F244 HydrophobicContact CB-CZ 4.18Å; F204-F244 HydrophobicContact CG-CZ 4.42Å; F204-I247 HydrophobicContact CD1-CG2 4.33Å; F204-I247 HydrophobicContact CE1-CG2 4Å; F204-L248 HydrophobicContact CE1-CD1 4.41Å; F204-L248 HydrophobicContact CE2-CD1 4.14Å; F204-L248 HydrophobicContact CZ-CD1 3.75Å; F204-I251 HydrophobicContact CE1-CD1 4.04Å; F204-I251 HydrophobicContact CZ-CD1 4.44Å; F204-I251 HydrophobicContact CZ-CG2 4.42Å |
| 205 | H | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 160.8 | -166.5 | 50.6 | -97.9 | 0 | 0 | 0 | 112.4 | V181 H183 S203 G216 N232 V233 L235 | V181-H205 CarbonylContact O-C 3.53Å; V181-H205 WeakPolarHBondContact O-CA 3.2Å; V181-H205 VanDerWaalsContact O-CB 3.29Å; V181-H205 WeakPolarHBondContact O-CB 3.24Å; H183-H205 HydrophobicContact CB-CB 4.2Å; H183-H205 AromaticContact CD2-CE1 3.36Å; H183-H205 PolarHBondContact CD2-CE1 2.82Å; H183-H205 AromaticContact CD2-ND1 3.51Å; H183-H205 AromaticContact CG-CE1 3.65Å; H183-H205 AromaticContact CG-ND1 3.82Å; S203-H205 WeakPolarHBondContact CB-ND1 3.41Å; S203-H205 PolarHBondContact OG-ND1 2.97Å; H205-G216 PolarHBondContact NE2-O 3.33Å; H205-N232 PolarHBondContact CE1-OD1 2.85Å; H205-V233 PolarHBondContact N-O 2.92Å; H205-L235 WeakPolarHBondContact O-CB 3.36Å; H205-L235 PolarHBondContact O-N 2.88Å |
| 206 | L | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 126.1 | 170.3 | 175.9 | 60.1 | 0 | 0 | 0 | 109.2 | V181 E208 F211 L235 R236 R237 A280 F281 | V181-L206 HydrophobicContact CG2-CB 3.94Å; V181-L206 PolarHBondContact O-N 3.33Å; L206-E208 HydrophobicContact CD1-CG 3.75Å; L206-E208 HydrophobicContact CG-CG 4.42Å; L206-F211 HydrophobicContact CB-CD1 3.77Å; L206-F211 HydrophobicContact CB-CE1 3.7Å; L206-F211 HydrophobicContact CB-CG 4.39Å; L206-F211 HydrophobicContact CB-CZ 4.26Å; L206-F211 HydrophobicContact CD2-CB 4.47Å; L206-F211 HydrophobicContact CD2-CD1 3.89Å; L206-F211 HydrophobicContact CD2-CD2 3.55Å; L206-F211 HydrophobicContact CD2-CE1 3.98Å; L206-F211 HydrophobicContact CD2-CE2 3.65Å; L206-F211 HydrophobicContact CD2-CG 3.68Å; L206-F211 HydrophobicContact CD2-CZ 3.87Å; L206-F211 HydrophobicContact CG-CB 4.46Å; L206-F211 HydrophobicContact CG-CD1 3.77Å; L206-F211 HydrophobicContact CG-CD2 4.29Å; L206-F211 HydrophobicContact CG-CE1 4.08Å; L206-F211 HydrophobicContact CG-CG 3.89Å; L206-F211 HydrophobicContact CG-CZ 4.47Å; L206-F211 WeakPolarHBondContact O-CD1 3.36Å; L206-L235 WeakPolarHBondContact CA-O 3.49Å; L206-L235 WeakPolarHBondContact CD1-O 3.46Å; L206-R236 VanDerWaalsContact CD1-C 3.48Å; L206-R237 HydrophobicContact CD1-CB 4.5Å; L206-A280 HydrophobicContact CB-CB 4.49Å; L206-A280 HydrophobicContact CD2-CB 3.54Å; L206-F281 HydrophobicContact CB-CE1 3.89Å; L206-F281 HydrophobicContact CB-CZ 4.13Å; L206-F281 HydrophobicContact CD1-CE1 4.33Å |
| 207 | L | 97.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | trans | -122.2 | 104 | 171 | -175.3 | 63.3 | 0 | 0 | 0 | 110 | D217 P234 L235 | L207-D217 HydrophobicContact CD2-CB 3.95Å; L207-P234 HydrophobicContact CB-CB 3.63Å; L207-P234 HydrophobicContact CD2-CB 3.6Å; L207-P234 HydrophobicContact CD2-CG 4.47Å; L207-P234 HydrophobicContact CG-CB 4.27Å; L207-L235 PolarHBondContact N-O 3.05Å | ||
| 208 | E | 95.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 33.4 Ų | 33.4 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -140.2 | 151.3 | 175.2 | -71.9 | 178.1 | 174.9 | 0 | 0 | 109.3 | L206 G210 F211 R237 | L206-E208 HydrophobicContact CD1-CG 3.75Å; L206-E208 HydrophobicContact CG-CG 4.42Å; E208-G210 PolarHBondContact O-N 2.71Å; E208-G210 VanDerWaalsContact O-N 3.11Å; E208-F211 HydrophobicContact CB-CB 4.37Å; E208-F211 PolarHBondContact O-N 2.59Å; E208-R237 WeakPolarHBondContact OE1-CB 3.41Å; E208-R237 PolarHBondContact OE1-N 3.19Å; E208-R237 IonicContact OE2-CZ 2.87Å; E208-R237 IonicContact OE2-NE 3.95Å; E208-R237 PolarHBondContact OE2-NE 3.28Å; E208-R237 VanDerWaalsContact OE2-NE 3.1Å; E208-R237 IonicContact OE2-NH2 3.56Å; E208-R237 PolarHBondContact OE2-NH2 2.94Å | ||
| 209 | P | 94.8 | Very high | 96.2 | Very high | 141 Ų | 141 | 34.7 Ų | 34.7 | 92% | 0.916 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 121 | 174.4 | -27.2 | 35.5 | 0 | 0 | 0 | 111.8 | ||
| 210 | G | 94 | Very high | 96 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 75% | 0.753 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -2.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E208 | E208-G210 PolarHBondContact O-N 2.71Å; E208-G210 VanDerWaalsContact O-N 3.11Å |
| 211 | F | 96 | Very high | 95.9 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -82.6 | 121.7 | 170.7 | -165.5 | -99.2 | 0 | 0 | 0 | 109.9 | V181 H182 L206 E208 C214 A280 | V181-F211 HydrophobicContact CG1-CE1 4.4Å; V181-F211 HydrophobicContact CG1-CZ 3.96Å; V181-F211 HydrophobicContact CG2-CZ 4.47Å; H182-F211 AromaticContact CD2-CE1 3.56Å; H182-F211 AromaticContact CD2-CZ 3.66Å; H182-F211 AromaticContact NE2-CE1 3.98Å; H182-F211 AromaticContact NE2-CZ 3.56Å; L206-F211 HydrophobicContact CB-CD1 3.77Å; L206-F211 HydrophobicContact CB-CE1 3.7Å; L206-F211 HydrophobicContact CB-CG 4.39Å; L206-F211 HydrophobicContact CB-CZ 4.26Å; L206-F211 HydrophobicContact CD2-CB 4.47Å; L206-F211 HydrophobicContact CD2-CD1 3.89Å; L206-F211 HydrophobicContact CD2-CD2 3.55Å; L206-F211 HydrophobicContact CD2-CE1 3.98Å; L206-F211 HydrophobicContact CD2-CE2 3.65Å; L206-F211 HydrophobicContact CD2-CG 3.68Å; L206-F211 HydrophobicContact CD2-CZ 3.87Å; L206-F211 HydrophobicContact CG-CB 4.46Å; L206-F211 HydrophobicContact CG-CD1 3.77Å; L206-F211 HydrophobicContact CG-CD2 4.29Å; L206-F211 HydrophobicContact CG-CE1 4.08Å; L206-F211 HydrophobicContact CG-CG 3.89Å; L206-F211 HydrophobicContact CG-CZ 4.47Å; L206-F211 WeakPolarHBondContact O-CD1 3.36Å; E208-F211 HydrophobicContact CB-CB 4.37Å; E208-F211 PolarHBondContact O-N 2.59Å; F211-C214 WeakPolarHBondContact O-CA 3.32Å; F211-C214 PolarHBondContact O-N 3.15Å; F211-C214 PolarHBondContact O-SG 3.31Å; F211-A280 HydrophobicContact CE2-CB 4.16Å; F211-A280 HydrophobicContact CZ-CB 4.04Å |
| 212 | Y | 95.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 142 | -179.3 | -173.6 | -91.7 | 0 | 0 | 0 | 110.7 | H145 A152 H182 | H145-Y212 AromaticContact CD2-CE1 3.82Å; H145-Y212 AromaticContact CE1-CE1 3.63Å; H145-Y212 AromaticContact CG-CE1 3.89Å; H145-Y212 AromaticContact ND1-CE1 3.75Å; H145-Y212 AromaticContact NE2-CD1 3.94Å; H145-Y212 AromaticContact NE2-CE1 3.62Å; A152-Y212 WeakPolarHBondContact CB-OH 3.35Å; H182-Y212 PolarHBondContact CD2-O 2.54Å |
| 213 | P | 94.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -93.3 | 18.1 | -1.3 | 33 | -28.1 | 0 | 0 | 0 | 113.9 | H183 D185 S215 | H183-P213 HydrophobicContact CB-CG 3.97Å; D185-P213 HydrophobicContact CB-CB 4.14Å; D185-P213 HydrophobicContact CB-CG 3.53Å; P213-S215 VanDerWaalsContact C-N 3.26Å; P213-S215 PolarHBondContact O-N 3.11Å |
| 214 | C | 93.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | trans | 60.6 | 26.7 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 115 | F211 | F211-C214 WeakPolarHBondContact O-CA 3.32Å; F211-C214 PolarHBondContact O-N 3.15Å; F211-C214 PolarHBondContact O-SG 3.31Å | ||
| 215 | S | 94.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | trans | -131.1 | 175.7 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | H183 D185 P213 | H183-S215 PolarHBondContact ND1-O 2.98Å; H183-S215 PolarHBondContact ND1-OG 3.15Å; D185-S215 WeakPolarHBondContact CB-OG 3.33Å; P213-S215 VanDerWaalsContact C-N 3.26Å; P213-S215 PolarHBondContact O-N 3.11Å | ||
| 216 | G | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 93.2 | 33.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H183 H205 D220 N232 | H183-G216 WeakPolarHBondContact CE1-CA 3.38Å; H183-G216 PolarHBondContact CE1-N 2.86Å; H183-G216 VanDerWaalsContact ND1-CA 3.29Å; H183-G216 WeakPolarHBondContact ND1-CA 3.39Å; H183-G216 PolarHBondContact ND1-N 2.89Å; H183-G216 VanDerWaalsContact ND1-N 3.18Å; H205-G216 PolarHBondContact NE2-O 3.33Å; G216-D220 WeakPolarHBondContact CA-OD2 3.42Å; G216-D220 PolarHBondContact N-OD2 2.89Å; G216-N232 WeakPolarHBondContact O-CB 3.32Å | ||
| 217 | D | 96 | Very high | 94.8 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | trans | -62.5 | 157.7 | 170.6 | -169.2 | -91 | 0 | 0 | 0 | 109.8 | L207 T219 D220 N232 | L207-D217 HydrophobicContact CD2-CB 3.95Å; D217-T219 PolarHBondContact O-N 3Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.21Å; D217-T219 PolarHBondContact OD1-N 3.19Å; D217-T219 PolarHBondContact OD1-OG1 3.48Å; D217-T219 VanDerWaalsContact OD1-OG1 3.1Å; D217-D220 PolarHBondContact N-OD2 3.25Å; D217-D220 WeakPolarHBondContact O-CB 3.42Å; D217-D220 PolarHBondContact O-N 2.94Å; D217-N232 WeakPolarHBondContact O-CB 3.4Å | ||
| 218 | V | 95.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.7 | 174 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | P234 I369 I372 I373 R376 | V218-P234 HydrophobicContact CB-CG 3.95Å; V218-I369 HydrophobicContact CB-CD1 4.06Å; V218-I369 HydrophobicContact CG1-CD1 4.14Å; V218-I369 HydrophobicContact CG2-CD1 4.3Å; V218-I369 HydrophobicContact CG2-CG2 4.45Å; V218-I372 HydrophobicContact CG1-CD1 4.03Å; V218-I372 HydrophobicContact CG1-CG2 4.2Å; V218-I372 HydrophobicContact CG2-CB 3.97Å; V218-I372 HydrophobicContact CG2-CG2 3.58Å; V218-I373 HydrophobicContact CG2-CG1 3.94Å; V218-R376 PolarHBondContact O-NH1 3.4Å |
| 219 | T | 94.7 | Very high | 94.7 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.2 | 172.6 | 63.2 | 0 | 0 | 0 | 0 | 115.1 | D217 F221 | D217-T219 PolarHBondContact O-N 3Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.21Å; D217-T219 PolarHBondContact OD1-N 3.19Å; D217-T219 PolarHBondContact OD1-OG1 3.48Å; D217-T219 VanDerWaalsContact OD1-OG1 3.1Å; T219-F221 WeakPolarHBondContact O-CD1 3.49Å; T219-F221 WeakPolarHBondContact O-CE1 3.37Å; T219-F221 PolarHBondContact O-N 3.02Å |
| 220 | D | 94.2 | Very high | 94.8 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | trans | -84.9 | 100.9 | 174.5 | -61.3 | -23.4 | 0 | 0 | 0 | 108.1 | G216 D217 N232 | G216-D220 WeakPolarHBondContact CA-OD2 3.42Å; G216-D220 PolarHBondContact N-OD2 2.89Å; D217-D220 PolarHBondContact N-OD2 3.25Å; D217-D220 WeakPolarHBondContact O-CB 3.42Å; D217-D220 PolarHBondContact O-N 2.94Å; D220-N232 PolarHBondContact O-ND2 3.02Å | ||
| 221 | F | 94.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | trans | -129.9 | 21.5 | -172.1 | 53.6 | -108 | 0 | 0 | 0 | 114.2 | T219 K227 N228 A230 | T219-F221 WeakPolarHBondContact O-CD1 3.49Å; T219-F221 WeakPolarHBondContact O-CE1 3.37Å; T219-F221 PolarHBondContact O-N 3.02Å; F221-K227 HydrophobicContact CD2-CG 3.88Å; F221-K227 HydrophobicContact CE2-CD 4.34Å; F221-K227 HydrophobicContact CE2-CG 3.96Å; F221-K227 CarbonylContact O-C 3.54Å; F221-N228 WeakPolarHBondContact O-CA 3.45Å; F221-N228 PolarHBondContact O-N 3.1Å; F221-A230 WeakPolarHBondContact CA-O 3.37Å | ||
| 222 | G | 93.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | trans | 77.3 | 174 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 223 | V | 94.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 44 Ų | 44 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | trans | -133.5 | 159.7 | -168.4 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | I194 A195 R225 G226 K227 | I194-V223 HydrophobicContact CD1-CG1 4.26Å; I194-V223 HydrophobicContact CD1-CG2 4.48Å; I194-V223 HydrophobicContact CG1-CG1 4.43Å; I194-V223 HydrophobicContact CG1-CG2 4.13Å; I194-V223 HydrophobicContact CG2-CG2 4.01Å; I194-V223 PolarHBondContact O-N 3.36Å; A195-V223 WeakPolarHBondContact CA-O 3.17Å; A195-V223 HydrophobicContact CB-CG2 4.23Å; V223-R225 PolarHBondContact O-N 3.37Å; V223-R225 VanDerWaalsContact O-N 3.14Å; V223-G226 CarbonylContact O-C 3.54Å; V223-G226 WeakPolarHBondContact O-CA 3.48Å; V223-G226 PolarHBondContact O-N 3.23Å; V223-K227 PolarHBondContact O-N 2.62Å | ||
| 224 | G | 94.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 43 Ų | 43 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | 53.5 | -122.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G226 K227 | G224-G226 VanDerWaalsContact C-N 3.31Å; G224-K227 WeakPolarHBondContact O-CB 3.48Å; G224-K227 PolarHBondContact O-N 3.45Å |
| 225 | R | 93.7 | Very high | 95.4 | Very high | 216 Ų | 216 | 39.1 Ų | 39.1 | 82% | 0.815 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -72.8 | -22.2 | 177.1 | -68.2 | -177.2 | 178.5 | 177.7 | -0.2 | 113.5 | A195 A197 V223 K227 | A195-R225 WeakPolarHBondContact O-CB 3.34Å; A197-R225 WeakPolarHBondContact CB-O 3.4Å; V223-R225 PolarHBondContact O-N 3.37Å; V223-R225 VanDerWaalsContact O-N 3.14Å; R225-K227 VanDerWaalsContact C-N 3.29Å |
| 226 | G | 94.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -87.1 | 6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I194 A195 S196 V223 G224 N228 Y229 | I194-G226 WeakPolarHBondContact O-CA 3.42Å; A195-G226 VanDerWaalsContact C-N 3.31Å; A195-G226 PolarHBondContact O-N 2.99Å; S196-G226 WeakPolarHBondContact O-CA 3.22Å; V223-G226 CarbonylContact O-C 3.54Å; V223-G226 WeakPolarHBondContact O-CA 3.48Å; V223-G226 PolarHBondContact O-N 3.23Å; G224-G226 VanDerWaalsContact C-N 3.31Å; G226-N228 PolarHBondContact O-N 3.27Å; G226-Y229 WeakPolarHBondContact O-CB 3.32Å; G226-Y229 PolarHBondContact O-N 3.45Å |
| 227 | K | 94.5 | Very high | 95.7 | Very high | 101 Ų | 101 | 46 Ų | 46 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 130 | 174.8 | -172.8 | -178 | 178.2 | -178.6 | 0 | 110.6 | F221 V223 G224 R225 Y229 | F221-K227 HydrophobicContact CD2-CG 3.88Å; F221-K227 HydrophobicContact CE2-CD 4.34Å; F221-K227 HydrophobicContact CE2-CG 3.96Å; F221-K227 CarbonylContact O-C 3.54Å; V223-K227 PolarHBondContact O-N 2.62Å; G224-K227 WeakPolarHBondContact O-CB 3.48Å; G224-K227 PolarHBondContact O-N 3.45Å; R225-K227 VanDerWaalsContact C-N 3.29Å; K227-Y229 VanDerWaalsContact O-CD2 3.29Å; K227-Y229 WeakPolarHBondContact O-CD2 3.43Å; K227-Y229 PolarHBondContact O-N 3.26Å |
| 228 | N | 94.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 6.7 | -171.4 | -54.5 | -48.2 | 0 | 0 | 0 | 115.7 | F221 G226 Q379 L380 | F221-N228 WeakPolarHBondContact O-CA 3.45Å; F221-N228 PolarHBondContact O-N 3.1Å; G226-N228 PolarHBondContact O-N 3.27Å; N228-Q379 PolarHBondContact ND2-OE1 3.13Å; N228-L380 HydrophobicContact CB-CD1 4.49Å; N228-L380 HydrophobicContact CB-CD2 3.67Å; N228-L380 HydrophobicContact CB-CG 4.06Å |
| 229 | Y | 95.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | trans | -96.5 | -3.4 | 174.8 | -67.3 | -97.8 | 0 | 0 | 0 | 113.5 | A197 M200 T201 G226 K227 F259 L380 F384 | A197-Y229 HydrophobicContact CB-CD2 4.24Å; A197-Y229 HydrophobicContact CB-CE1 4.06Å; A197-Y229 HydrophobicContact CB-CE2 3.75Å; A197-Y229 VanDerWaalsContact O-CE1 3.25Å; A197-Y229 WeakPolarHBondContact O-CE1 3.43Å; M200-Y229 CarbonylContact C-O 3.52Å; M200-Y229 WeakPolarHBondContact CA-O 2.98Å; M200-Y229 HydrophobicContact CB-CD1 4.45Å; M200-Y229 HydrophobicContact CE-CD1 3.84Å; M200-Y229 HydrophobicContact CE-CE1 4.41Å; M200-Y229 HydrophobicContact CE-CG 4.44Å; M200-Y229 WeakPolarHBondContact CG-O 3.32Å; T201-Y229 PolarHBondContact N-O 2.86Å; G226-Y229 WeakPolarHBondContact O-CB 3.32Å; G226-Y229 PolarHBondContact O-N 3.45Å; K227-Y229 VanDerWaalsContact O-CD2 3.29Å; K227-Y229 WeakPolarHBondContact O-CD2 3.43Å; K227-Y229 PolarHBondContact O-N 3.26Å; Y229-F259 AromaticContact CD1-CD2 3.74Å; Y229-F259 HydrophobicContact CD1-CD2 3.74Å; Y229-F259 AromaticContact CD1-CE2 3.65Å; Y229-F259 HydrophobicContact CD1-CE2 3.65Å; Y229-F259 AromaticContact CE1-CD2 3.65Å; Y229-F259 HydrophobicContact CE1-CD2 3.65Å; Y229-F259 AromaticContact CE1-CE2 3.74Å; Y229-F259 HydrophobicContact CE1-CE2 3.74Å; Y229-L380 HydrophobicContact CD1-CD2 4.42Å; Y229-L380 HydrophobicContact CD2-CD2 3.77Å; Y229-L380 HydrophobicContact CE1-CD2 4.09Å; Y229-L380 HydrophobicContact CE2-CD2 3.39Å; Y229-L380 HydrophobicContact CG-CD2 4.27Å; Y229-F384 VanDerWaalsContact OH-CE2 3.3Å; Y229-F384 WeakPolarHBondContact OH-CE2 3.38Å | ||
| 230 | A | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E190 F221 | E190-A230 HydrophobicContact CG-CB 3.96Å; E190-A230 WeakPolarHBondContact OE2-CB 3.35Å; F221-A230 WeakPolarHBondContact CA-O 3.37Å |
| 231 | V | 96.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 95.6 | -176.9 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | M200 T201 V202 S203 L255 I373 F377 | M200-V231 HydrophobicContact CG-CG2 4.48Å; M200-V231 HydrophobicContact SD-CG2 4.44Å; T201-V231 PolarHBondContact O-N 3.14Å; V202-V231 VanDerWaalsContact CA-O 3.28Å; V202-V231 WeakPolarHBondContact CA-O 3.32Å; V202-V231 HydrophobicContact CB-CB 4.42Å; V202-V231 HydrophobicContact CG1-CB 4.21Å; V202-V231 HydrophobicContact CG1-CG1 4.2Å; V202-V231 HydrophobicContact CG2-CB 4.12Å; S203-V231 PolarHBondContact N-O 3.12Å; V231-L255 HydrophobicContact CG1-CD2 4.48Å; V231-L255 HydrophobicContact CG2-CD2 3.97Å; V231-I373 HydrophobicContact CG1-CG2 3.72Å; V231-F377 HydrophobicContact CG1-CZ 4.45Å; V231-F377 HydrophobicContact CG2-CE1 4.03Å |
| 232 | N | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.9 | 177.4 | -69.6 | -50.5 | 0 | 0 | 0 | 112.4 | H183 E190 H205 G216 D217 D220 P234 | H183-N232 PolarHBondContact CD2-OD1 2.87Å; H183-N232 PolarHBondContact NE2-OD1 2.94Å; E190-N232 PolarHBondContact OE2-ND2 3.4Å; E190-N232 PolarHBondContact OE2-OD1 3.05Å; H205-N232 PolarHBondContact CE1-OD1 2.85Å; G216-N232 WeakPolarHBondContact O-CB 3.32Å; D217-N232 WeakPolarHBondContact O-CB 3.4Å; D220-N232 PolarHBondContact O-ND2 3.02Å; N232-P234 WeakPolarHBondContact O-CD 3.46Å |
| 233 | V | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 81 | 179.3 | -165.4 | 0 | 0 | 0 | 0 | 108 | S203 F204 H205 L235 I247 I251 I369 I373 | S203-V233 WeakPolarHBondContact O-CB 3.43Å; S203-V233 PolarHBondContact O-N 2.92Å; F204-V233 HydrophobicContact CD1-CB 3.84Å; F204-V233 HydrophobicContact CD1-CG1 3.92Å; F204-V233 HydrophobicContact CD1-CG2 3.86Å; F204-V233 HydrophobicContact CE1-CB 4.29Å; F204-V233 HydrophobicContact CE1-CG1 4.28Å; F204-V233 HydrophobicContact CE1-CG2 3.85Å; F204-V233 HydrophobicContact CG-CB 4.28Å; F204-V233 HydrophobicContact CG-CG2 4.31Å; F204-V233 HydrophobicContact CZ-CG2 4.28Å; H205-V233 PolarHBondContact N-O 2.92Å; V233-L235 HydrophobicContact CG1-CD2 4.33Å; V233-L235 HydrophobicContact CG1-CG 4.45Å; V233-L235 WeakPolarHBondContact O-CG 3.23Å; V233-L235 PolarHBondContact O-N 3.25Å; V233-I247 HydrophobicContact CG1-CG2 3.84Å; V233-I251 HydrophobicContact CG1-CD1 4.13Å; V233-I251 HydrophobicContact CG2-CD1 3.64Å; V233-I369 HydrophobicContact CG1-CG2 4.1Å; V233-I373 HydrophobicContact CB-CD1 4.32Å; V233-I373 HydrophobicContact CG1-CD1 4.21Å; V233-I373 HydrophobicContact CG2-CD1 3.83Å |
| 234 | P | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.7 | -179.1 | 28.8 | -36.2 | 0 | 0 | 0 | 110.8 | L207 V218 N232 Y365 I369 | L207-P234 HydrophobicContact CB-CB 3.63Å; L207-P234 HydrophobicContact CD2-CB 3.6Å; L207-P234 HydrophobicContact CD2-CG 4.47Å; L207-P234 HydrophobicContact CG-CB 4.27Å; V218-P234 HydrophobicContact CB-CG 3.95Å; N232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-Y365 PolarHBondContact O-OH 2.86Å; P234-I369 HydrophobicContact CG-CD1 3.9Å |
| 235 | L | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 165.7 | -176.8 | -60.9 | 157.5 | 0 | 0 | 0 | 109.9 | F204 H205 L206 L207 V233 L239 I247 F281 L366 | F204-L235 HydrophobicContact CB-CD1 4.08Å; H205-L235 WeakPolarHBondContact O-CB 3.36Å; H205-L235 PolarHBondContact O-N 2.88Å; L206-L235 WeakPolarHBondContact CA-O 3.49Å; L206-L235 WeakPolarHBondContact CD1-O 3.46Å; L207-L235 PolarHBondContact N-O 3.05Å; V233-L235 HydrophobicContact CG1-CD2 4.33Å; V233-L235 HydrophobicContact CG1-CG 4.45Å; V233-L235 WeakPolarHBondContact O-CG 3.23Å; V233-L235 PolarHBondContact O-N 3.25Å; L235-L239 HydrophobicContact CB-CD2 4.27Å; L235-L239 HydrophobicContact CD1-CD2 3.59Å; L235-L239 HydrophobicContact CD2-CD1 4.37Å; L235-L239 HydrophobicContact CD2-CD2 4Å; L235-L239 HydrophobicContact CG-CD2 4.12Å; L235-I247 HydrophobicContact CD2-CD1 3.65Å; L235-F281 HydrophobicContact CB-CE1 3.83Å; L235-F281 HydrophobicContact CB-CZ 3.7Å; L235-F281 HydrophobicContact CD1-CE2 4.24Å; L235-F281 HydrophobicContact CD1-CZ 3.82Å; L235-F281 HydrophobicContact CG-CZ 4.4Å; L235-L366 HydrophobicContact CD2-CD2 3.82Å |
| 236 | R | 98 | Very high | 97.1 | Very high | 104 Ų | 104 | 33.9 Ų | 33.9 | 39% | 0.392 | 15% | 0.15 | S | C | . | . | trans | -111.5 | 167 | 179.7 | -61.8 | 179.5 | 176.6 | -173.6 | -2.7 | 111.4 | L206 A360 N361 Y365 | L206-R236 VanDerWaalsContact CD1-C 3.48Å; R236-A360 HydrophobicContact CB-CB 3.8Å; R236-A360 WeakPolarHBondContact CD-O 3.19Å; R236-N361 PolarHBondContact N-OD1 3.02Å; R236-N361 PolarHBondContact O-ND2 3.37Å; R236-Y365 HydrophobicContact CG-CD1 4.49Å; R236-Y365 HydrophobicContact CG-CE1 3.93Å | ||
| 237 | R | 97.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 34 Ų | 34 | 27% | 0.272 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 144.4 | -178.7 | -160 | 167.2 | -60.7 | -89.4 | -1.9 | 113.2 | L206 E208 N278 Q279 A280 L357 A360 | L206-R237 HydrophobicContact CD1-CB 4.5Å; E208-R237 WeakPolarHBondContact OE1-CB 3.41Å; E208-R237 PolarHBondContact OE1-N 3.19Å; E208-R237 IonicContact OE2-CZ 2.87Å; E208-R237 IonicContact OE2-NE 3.95Å; E208-R237 PolarHBondContact OE2-NE 3.28Å; E208-R237 VanDerWaalsContact OE2-NE 3.1Å; E208-R237 IonicContact OE2-NH2 3.56Å; E208-R237 PolarHBondContact OE2-NH2 2.94Å; R237-N278 PolarHBondContact NH1-O 2.72Å; R237-Q279 WeakPolarHBondContact CG-O 3.34Å; R237-Q279 PolarHBondContact NH1-O 3.05Å; R237-A280 CarbonylContact C-O 3.33Å; R237-A280 VanDerWaalsContact CA-O 3.24Å; R237-A280 WeakPolarHBondContact CA-O 3.43Å; R237-A280 VanDerWaalsContact CG-O 3.27Å; R237-A280 WeakPolarHBondContact CG-O 3.28Å; R237-L357 HydrophobicContact CG-CD1 4.28Å; R237-L357 HydrophobicContact CG-CD2 3.98Å; R237-L357 HydrophobicContact CG-CG 4.37Å; R237-A360 PolarHBondContact O-N 3.15Å |
| 238 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 19.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | A280 P358 N359 | G238-A280 PolarHBondContact N-O 3.21Å; G238-P358 WeakPolarHBondContact CA-O 3.36Å; G238-N359 VanDerWaalsContact O-CB 3.24Å; G238-N359 WeakPolarHBondContact O-CB 3.49Å; G238-N359 PolarHBondContact O-OD1 3.5Å |
| 239 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -52.7 | 138.5 | 171.2 | -171.8 | 70.6 | 0 | 0 | 0 | 111.2 | L235 Q243 F244 I247 F281 N282 N361 | L235-L239 HydrophobicContact CB-CD2 4.27Å; L235-L239 HydrophobicContact CD1-CD2 3.59Å; L235-L239 HydrophobicContact CD2-CD1 4.37Å; L235-L239 HydrophobicContact CD2-CD2 4Å; L235-L239 HydrophobicContact CG-CD2 4.12Å; L239-Q243 HydrophobicContact CD1-CB 3.66Å; L239-F244 HydrophobicContact CD2-CB 4.21Å; L239-F244 HydrophobicContact CD2-CD2 3.65Å; L239-F244 HydrophobicContact CD2-CG 4.43Å; L239-I247 HydrophobicContact CD1-CD1 4.3Å; L239-F281 HydrophobicContact CB-CB 4.31Å; L239-F281 HydrophobicContact CB-CD1 3.71Å; L239-F281 HydrophobicContact CB-CE1 4.17Å; L239-F281 HydrophobicContact CB-CG 4.01Å; L239-F281 HydrophobicContact CD2-CD2 4.48Å; L239-F281 HydrophobicContact CD2-CE1 4.41Å; L239-F281 HydrophobicContact CD2-CE2 4.35Å; L239-F281 HydrophobicContact CD2-CZ 4.33Å; L239-N282 CarbonylContact O-C 3.52Å; L239-N282 WeakPolarHBondContact O-CA 3.47Å; L239-N282 PolarHBondContact O-N 3.11Å; L239-N361 HydrophobicContact CD1-CB 3.97Å; L239-N361 PolarHBondContact N-ND2 2.71Å | ||
| 240 | K | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 34.4 Ų | 34.4 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | trans | -111.5 | 163.7 | -177.9 | -63.8 | -172.4 | 176.1 | -171.9 | 0 | 112 | E242 Q243 F244 | K240-E242 VanDerWaalsContact C-N 3.35Å; K240-E242 PolarHBondContact O-N 2.92Å; K240-Q243 PolarHBondContact O-N 3.06Å; K240-F244 PolarHBondContact O-N 2.92Å | ||
| 241 | D | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.4 | -46.2 | -175.6 | -67.6 | -34.5 | 0 | 0 | 0 | 113.2 | Q243 F244 I245 L283 T284 S287 | D241-Q243 VanDerWaalsContact C-N 3.3Å; D241-Q243 PolarHBondContact O-N 3.28Å; D241-F244 PolarHBondContact O-N 3.15Å; D241-I245 WeakPolarHBondContact O-CB 3.47Å; D241-I245 WeakPolarHBondContact O-CD1 3.18Å; D241-I245 VanDerWaalsContact O-CG1 3.22Å; D241-I245 WeakPolarHBondContact O-CG1 3.32Å; D241-I245 PolarHBondContact O-N 3.47Å; D241-L283 WeakPolarHBondContact OD1-CA 3.33Å; D241-T284 PolarHBondContact OD1-N 3.2Å; D241-T284 WeakPolarHBondContact OD2-CB 3.27Å; D241-T284 WeakPolarHBondContact OD2-CG2 3.24Å; D241-T284 PolarHBondContact OD2-N 3.08Å; D241-T284 PolarHBondContact OD2-OG1 3.44Å; D241-S287 WeakPolarHBondContact OD1-CB 3.48Å; D241-S287 PolarHBondContact OD1-OG 3.41Å |
| 242 | E | 97.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 34.7 Ų | 34.7 | 64% | 0.64 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -61.6 | -41.4 | -176.7 | -60 | 77.7 | -165.8 | 0 | 0 | 111.7 | K240 E246 | K240-E242 VanDerWaalsContact C-N 3.35Å; K240-E242 PolarHBondContact O-N 2.92Å; E242-E246 WeakPolarHBondContact O-CB 3.42Å; E242-E246 PolarHBondContact O-N 3.02Å |
| 243 | Q | 97.7 | Very high | 97 | Very high | 34 Ų | 34 | 38 Ų | 38 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.9 | -42.6 | 179.2 | -68.3 | -179.7 | -47 | 0 | 0 | 111.6 | L239 K240 D241 I245 E246 I247 N359 N361 L366 | L239-Q243 HydrophobicContact CD1-CB 3.66Å; K240-Q243 PolarHBondContact O-N 3.06Å; D241-Q243 VanDerWaalsContact C-N 3.3Å; D241-Q243 PolarHBondContact O-N 3.28Å; Q243-I245 VanDerWaalsContact C-N 3.31Å; Q243-I245 PolarHBondContact O-N 3.24Å; Q243-E246 PolarHBondContact O-N 3.1Å; Q243-I247 VanDerWaalsContact O-CD1 3.22Å; Q243-I247 WeakPolarHBondContact O-CD1 3.45Å; Q243-I247 WeakPolarHBondContact O-CG1 3.48Å; Q243-I247 PolarHBondContact O-N 3.31Å; Q243-N359 PolarHBondContact OE1-ND2 3.48Å; Q243-N361 PolarHBondContact NE2-O 2.96Å; Q243-L366 HydrophobicContact CB-CD1 3.93Å; Q243-L366 HydrophobicContact CG-CD1 3.99Å |
| 244 | F | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.1 | -169.1 | -84.2 | 0 | 0 | 0 | 110.9 | L179 F204 L239 K240 D241 I247 L248 L283 S291 | L179-F244 HydrophobicContact CD2-CE1 4.49Å; L179-F244 HydrophobicContact CD2-CZ 4.06Å; F204-F244 HydrophobicContact CB-CE2 3.98Å; F204-F244 HydrophobicContact CB-CZ 4.18Å; F204-F244 HydrophobicContact CG-CZ 4.42Å; L239-F244 HydrophobicContact CD2-CB 4.21Å; L239-F244 HydrophobicContact CD2-CD2 3.65Å; L239-F244 HydrophobicContact CD2-CG 4.43Å; K240-F244 PolarHBondContact O-N 2.92Å; D241-F244 PolarHBondContact O-N 3.15Å; F244-I247 PolarHBondContact O-N 3.38Å; F244-L248 PolarHBondContact O-N 2.86Å; F244-L283 HydrophobicContact CB-CD2 3.89Å; F244-L283 HydrophobicContact CD2-CD1 3.88Å; F244-L283 HydrophobicContact CD2-CD2 4.34Å; F244-L283 HydrophobicContact CE2-CD1 4.14Å; F244-L283 HydrophobicContact CG-CD1 4.29Å; F244-L283 HydrophobicContact CG-CD2 4.28Å; F244-S291 WeakPolarHBondContact CE1-OG 3.35Å |
| 245 | I | 98.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.1 | -66.6 | 164.3 | 0 | 0 | 0 | 111 | D241 Q243 I247 L248 D249 I286 V290 | D241-I245 WeakPolarHBondContact O-CB 3.47Å; D241-I245 WeakPolarHBondContact O-CD1 3.18Å; D241-I245 VanDerWaalsContact O-CG1 3.22Å; D241-I245 WeakPolarHBondContact O-CG1 3.32Å; D241-I245 PolarHBondContact O-N 3.47Å; Q243-I245 VanDerWaalsContact C-N 3.31Å; Q243-I245 PolarHBondContact O-N 3.24Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3Å; I245-L248 PolarHBondContact O-N 2.85Å; I245-D249 WeakPolarHBondContact O-CB 3.41Å; I245-D249 PolarHBondContact O-N 3.45Å; I245-I286 HydrophobicContact CD1-CG2 4.21Å; I245-V290 HydrophobicContact CD1-CB 3.97Å; I245-V290 HydrophobicContact CD1-CG1 4.04Å; I245-V290 HydrophobicContact CD1-CG2 4.02Å; I245-V290 HydrophobicContact CG1-CB 4.13Å; I245-V290 HydrophobicContact CG1-CG1 3.96Å; I245-V290 HydrophobicContact CG2-CG1 3.85Å |
| 246 | E | 97.3 | Very high | 96.3 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 177.6 | -174.2 | -171.3 | 162 | 0 | 0 | 112 | E242 Q243 Q250 | E242-E246 WeakPolarHBondContact O-CB 3.42Å; E242-E246 PolarHBondContact O-N 3.02Å; Q243-E246 PolarHBondContact O-N 3.1Å; E246-Q250 WeakPolarHBondContact O-CG 3.26Å; E246-Q250 PolarHBondContact O-N 2.83Å; E246-Q250 PolarHBondContact OE1-NE2 2.76Å |
| 247 | I | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 178.6 | -61.5 | 156 | 0 | 0 | 0 | 109.9 | F204 V233 L235 L239 Q243 F244 I245 Q250 I251 L366 I370 | F204-I247 HydrophobicContact CD1-CG2 4.33Å; F204-I247 HydrophobicContact CE1-CG2 4Å; V233-I247 HydrophobicContact CG1-CG2 3.84Å; L235-I247 HydrophobicContact CD2-CD1 3.65Å; L239-I247 HydrophobicContact CD1-CD1 4.3Å; Q243-I247 VanDerWaalsContact O-CD1 3.22Å; Q243-I247 WeakPolarHBondContact O-CD1 3.45Å; Q243-I247 WeakPolarHBondContact O-CG1 3.48Å; Q243-I247 PolarHBondContact O-N 3.31Å; F244-I247 PolarHBondContact O-N 3.38Å; I245-I247 VanDerWaalsContact C-N 3.34Å; I245-I247 PolarHBondContact O-N 3Å; I247-Q250 PolarHBondContact O-N 2.84Å; I247-I251 HydrophobicContact CG2-CD1 3.74Å; I247-I251 WeakPolarHBondContact O-CG1 3.37Å; I247-I251 PolarHBondContact O-N 3.5Å; I247-L366 HydrophobicContact CD1-CD1 4.07Å; I247-L366 HydrophobicContact CD1-CD2 3.65Å; I247-L366 HydrophobicContact CD1-CG 4.37Å; I247-L366 HydrophobicContact CG1-CD2 4.41Å; I247-I370 HydrophobicContact CB-CD1 4.44Å; I247-I370 HydrophobicContact CG1-CD1 4.11Å; I247-I370 HydrophobicContact CG2-CD1 4.37Å; I247-I370 HydrophobicContact CG2-CG1 4.3Å |
| 248 | L | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 178.1 | -175.9 | 77.9 | 0 | 0 | 0 | 111.8 | F204 F244 I245 Q250 I251 L252 S291 R294 | F204-L248 HydrophobicContact CE1-CD1 4.41Å; F204-L248 HydrophobicContact CE2-CD1 4.14Å; F204-L248 HydrophobicContact CZ-CD1 3.75Å; F244-L248 PolarHBondContact O-N 2.86Å; I245-L248 PolarHBondContact O-N 2.85Å; L248-Q250 PolarHBondContact O-N 3.27Å; L248-Q250 VanDerWaalsContact O-N 3.17Å; L248-I251 PolarHBondContact O-N 3.17Å; L248-I251 VanDerWaalsContact O-N 3.09Å; L248-L252 HydrophobicContact CD1-CB 4.26Å; L248-L252 HydrophobicContact CG-CB 4.32Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 PolarHBondContact O-N 3.22Å; L248-S291 VanDerWaalsContact CD2-CA 3.42Å; L248-S291 WeakPolarHBondContact CD2-OG 3.25Å; L248-R294 HydrophobicContact CD2-CB 4.35Å; L248-R294 HydrophobicContact CD2-CG 4.44Å |
| 249 | D | 96 | Very high | 95.6 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -23.2 | -180 | -82.5 | -19.1 | 0 | 0 | 0 | 111.6 | I245 P253 R294 | I245-D249 WeakPolarHBondContact O-CB 3.41Å; I245-D249 PolarHBondContact O-N 3.45Å; D249-P253 VanDerWaalsContact O-CD 3.22Å; D249-P253 WeakPolarHBondContact O-CD 3.49Å; D249-P253 WeakPolarHBondContact O-CG 3.18Å; D249-R294 WeakPolarHBondContact OD1-CD 3.35Å; D249-R294 IonicContact OD1-CZ 3.53Å; D249-R294 IonicContact OD1-NE 2.71Å; D249-R294 PolarHBondContact OD1-NE 3.37Å; D249-R294 IonicContact OD2-NE 2.77Å; D249-R294 IonicContact OD2-NH2 3.96Å |
| 250 | Q | 95.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -85.6 | -30.2 | 173.9 | -73.1 | -174.2 | 69.3 | 0 | 0 | 114.3 | E246 I247 L248 R254 I370 | E246-Q250 WeakPolarHBondContact O-CG 3.26Å; E246-Q250 PolarHBondContact O-N 2.83Å; E246-Q250 PolarHBondContact OE1-NE2 2.76Å; I247-Q250 PolarHBondContact O-N 2.84Å; L248-Q250 PolarHBondContact O-N 3.27Å; L248-Q250 VanDerWaalsContact O-N 3.17Å; Q250-R254 VanDerWaalsContact O-CD 3.3Å; Q250-R254 WeakPolarHBondContact O-CD 3.28Å; Q250-R254 PolarHBondContact O-NE 3.31Å; Q250-I370 HydrophobicContact CB-CD1 4.44Å; Q250-I370 HydrophobicContact CB-CG2 4.25Å |
| 251 | I | 94.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -92.3 | -49.9 | -175.3 | -67.6 | 177.4 | 0 | 0 | 0 | 111.2 | F204 V233 I247 L248 R254 L255 I373 | F204-I251 HydrophobicContact CE1-CD1 4.04Å; F204-I251 HydrophobicContact CZ-CD1 4.44Å; F204-I251 HydrophobicContact CZ-CG2 4.42Å; V233-I251 HydrophobicContact CG1-CD1 4.13Å; V233-I251 HydrophobicContact CG2-CD1 3.64Å; I247-I251 HydrophobicContact CG2-CD1 3.74Å; I247-I251 WeakPolarHBondContact O-CG1 3.37Å; I247-I251 PolarHBondContact O-N 3.5Å; L248-I251 PolarHBondContact O-N 3.17Å; L248-I251 VanDerWaalsContact O-N 3.09Å; I251-R254 WeakPolarHBondContact O-CB 3.08Å; I251-R254 PolarHBondContact O-N 2.84Å; I251-L255 HydrophobicContact CG2-CD1 3.63Å; I251-L255 HydrophobicContact CG2-CD2 4.34Å; I251-L255 HydrophobicContact CG2-CG 3.85Å; I251-L255 WeakPolarHBondContact O-CG 3.25Å; I251-L255 PolarHBondContact O-N 3.36Å; I251-I373 HydrophobicContact CD1-CD1 3.89Å |
| 252 | L | 94.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | -169.8 | -175.1 | 67.9 | 0 | 0 | 0 | 114.1 | L248 R254 L255 R256 R294 I295 L298 | L248-L252 HydrophobicContact CD1-CB 4.26Å; L248-L252 HydrophobicContact CG-CB 4.32Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 PolarHBondContact O-N 3.22Å; L252-R254 VanDerWaalsContact C-N 3.25Å; L252-R254 PolarHBondContact O-N 3.41Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-R256 PolarHBondContact O-N 2.96Å; L252-R256 VanDerWaalsContact O-N 3.12Å; L252-R294 HydrophobicContact CD2-CB 3.75Å; L252-I295 HydrophobicContact CD1-CG1 4.29Å; L252-I295 HydrophobicContact CD2-CG1 3.85Å; L252-L298 HydrophobicContact CD1-CD1 4.1Å; L252-L298 HydrophobicContact CG-CD1 4.34Å |
| 253 | P | 92.6 | Very high | 95.4 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -35.6 | 177.2 | -24.1 | 35.9 | 0 | 0 | 0 | 112.6 | D249 R256 T257 | D249-P253 VanDerWaalsContact O-CD 3.22Å; D249-P253 WeakPolarHBondContact O-CD 3.49Å; D249-P253 WeakPolarHBondContact O-CG 3.18Å; P253-R256 PolarHBondContact O-N 3.11Å; P253-T257 PolarHBondContact O-N 3.47Å; P253-T257 VanDerWaalsContact O-N 3.15Å; P253-T257 PolarHBondContact O-OG1 2.99Å |
| 254 | R | 93.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 37.5 Ų | 37.5 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 179.8 | -62.6 | 177.8 | 176.4 | 157.6 | -1.9 | 111.2 | Q250 I251 L252 R256 T257 V258 F377 | Q250-R254 VanDerWaalsContact O-CD 3.3Å; Q250-R254 WeakPolarHBondContact O-CD 3.28Å; Q250-R254 PolarHBondContact O-NE 3.31Å; I251-R254 WeakPolarHBondContact O-CB 3.08Å; I251-R254 PolarHBondContact O-N 2.84Å; L252-R254 VanDerWaalsContact C-N 3.25Å; L252-R254 PolarHBondContact O-N 3.41Å; R254-R256 VanDerWaalsContact C-N 3.29Å; R254-R256 PolarHBondContact O-N 3.05Å; R254-T257 WeakPolarHBondContact O-CB 3.39Å; R254-T257 PolarHBondContact O-N 2.91Å; R254-T257 VanDerWaalsContact O-N 3.09Å; R254-V258 WeakPolarHBondContact O-CG2 3.31Å; R254-V258 PolarHBondContact O-N 3.34Å; R254-F377 HydrophobicContact CB-CD2 3.55Å; R254-F377 HydrophobicContact CB-CE2 3.46Å; R254-F377 VanDerWaalsContact CB-CE2 3.46Å; R254-F377 HydrophobicContact CG-CD2 4.3Å; R254-F377 HydrophobicContact CG-CE2 4.32Å |
| 255 | L | 93.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 174 | -63 | 172.2 | 0 | 0 | 0 | 111 | M200 V202 V231 I251 L252 T257 V258 F259 F377 | M200-L255 HydrophobicContact SD-CD2 3.62Å; V202-L255 HydrophobicContact CB-CD1 4.35Å; V202-L255 HydrophobicContact CG1-CD1 3.96Å; V202-L255 HydrophobicContact CG2-CD1 3.6Å; V202-L255 HydrophobicContact CG2-CD2 4.08Å; V202-L255 HydrophobicContact CG2-CG 4.49Å; V231-L255 HydrophobicContact CG1-CD2 4.48Å; V231-L255 HydrophobicContact CG2-CD2 3.97Å; I251-L255 HydrophobicContact CG2-CD1 3.63Å; I251-L255 HydrophobicContact CG2-CD2 4.34Å; I251-L255 HydrophobicContact CG2-CG 3.85Å; I251-L255 WeakPolarHBondContact O-CG 3.25Å; I251-L255 PolarHBondContact O-N 3.36Å; L252-L255 PolarHBondContact O-N 2.97Å; L255-T257 VanDerWaalsContact C-N 3.3Å; L255-T257 PolarHBondContact O-N 2.93Å; L255-V258 PolarHBondContact O-N 3.47Å; L255-F259 VanDerWaalsContact O-CB 3.27Å; L255-F259 WeakPolarHBondContact O-CB 3.41Å; L255-F259 PolarHBondContact O-N 3.38Å; L255-F377 HydrophobicContact CD2-CE1 3.91Å; L255-F377 HydrophobicContact CD2-CZ 3.62Å; L255-F377 HydrophobicContact CG-CZ 4.33Å |
| 256 | R | 91.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 175.3 | 175.4 | 63.3 | -170.2 | 134.2 | 21.7 | 111.6 | L252 P253 R254 D260 P261 L298 | L252-R256 PolarHBondContact O-N 2.96Å; L252-R256 VanDerWaalsContact O-N 3.12Å; P253-R256 PolarHBondContact O-N 3.11Å; R254-R256 VanDerWaalsContact C-N 3.29Å; R254-R256 PolarHBondContact O-N 3.05Å; R256-D260 IonicContact CZ-OD1 3.77Å; R256-D260 IonicContact NH1-OD1 2.98Å; R256-D260 PolarHBondContact NH1-OD1 3.04Å; R256-D260 IonicContact NH2-OD1 2.62Å; R256-D260 PolarHBondContact NH2-OD1 2.95Å; R256-D260 WeakPolarHBondContact O-CA 3.17Å; R256-D260 PolarHBondContact O-N 3.19Å; R256-D260 VanDerWaalsContact O-N 3.14Å; R256-P261 PolarHBondContact NH1-O 3.45Å; R256-L298 HydrophobicContact CB-CD2 4.25Å; R256-L298 HydrophobicContact CG-CD2 4.16Å |
| 257 | T | 91.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 31.1 Ų | 31.1 | 71% | 0.706 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -67.2 | -45.6 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | P253 R254 L255 | P253-T257 PolarHBondContact O-N 3.47Å; P253-T257 VanDerWaalsContact O-N 3.15Å; P253-T257 PolarHBondContact O-OG1 2.99Å; R254-T257 WeakPolarHBondContact O-CB 3.39Å; R254-T257 PolarHBondContact O-N 2.91Å; R254-T257 VanDerWaalsContact O-N 3.09Å; L255-T257 VanDerWaalsContact C-N 3.3Å; L255-T257 PolarHBondContact O-N 2.93Å |
| 258 | V | 93 | Very high | 95.7 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -88.5 | -24.7 | -170.4 | -57.6 | 0 | 0 | 0 | 0 | 114.3 | R254 L255 F377 L380 V381 | R254-V258 WeakPolarHBondContact O-CG2 3.31Å; R254-V258 PolarHBondContact O-N 3.34Å; L255-V258 PolarHBondContact O-N 3.47Å; V258-F377 HydrophobicContact CG1-CB 3.91Å; V258-F377 HydrophobicContact CG1-CG 4.49Å; V258-F377 HydrophobicContact CG2-CB 4.39Å; V258-F377 HydrophobicContact CG2-CD1 4.17Å; V258-F377 HydrophobicContact CG2-CG 4.23Å; V258-L380 HydrophobicContact CB-CB 4.2Å; V258-L380 HydrophobicContact CB-CD1 4.26Å; V258-L380 HydrophobicContact CG2-CD1 3.7Å; V258-V381 HydrophobicContact CG1-CG2 4.03Å |
| 259 | F | 95.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -104.1 | -26 | -178.6 | -173.5 | -119 | 0 | 0 | 0 | 113.2 | R173 I174 L175 A197 M200 Y229 L255 P261 | R173-F259 HydrophobicContact CB-CE1 3.95Å; R173-F259 HydrophobicContact CB-CE2 4.35Å; R173-F259 HydrophobicContact CB-CZ 3.75Å; R173-F259 WeakPolarHBondContact CD-O 3.42Å; R173-F259 HydrophobicContact CG-CE2 4.32Å; R173-F259 HydrophobicContact CG-CZ 4.18Å; R173-F259 PolarHBondContact NE-O 3.21Å; I174-F259 VanDerWaalsContact O-CE1 3.23Å; I174-F259 WeakPolarHBondContact O-CE1 3.49Å; I174-F259 WeakPolarHBondContact O-CZ 3.38Å; L175-F259 HydrophobicContact CB-CD1 4.33Å; L175-F259 HydrophobicContact CB-CE1 4.27Å; L175-F259 HydrophobicContact CD1-CD1 4.45Å; A197-F259 WeakPolarHBondContact O-CE2 3.25Å; M200-F259 HydrophobicContact CB-CD1 3.78Å; M200-F259 HydrophobicContact CB-CD2 3.8Å; M200-F259 HydrophobicContact CB-CE1 3.68Å; M200-F259 HydrophobicContact CB-CE2 3.69Å; M200-F259 HydrophobicContact CB-CG 3.85Å; M200-F259 HydrophobicContact CB-CZ 3.62Å; M200-F259 HydrophobicContact CE-CB 3.68Å; M200-F259 HydrophobicContact CE-CD2 3.71Å; M200-F259 HydrophobicContact CE-CG 3.81Å; M200-F259 HydrophobicContact CG-CG 4.46Å; M200-F259 HydrophobicContact SD-CB 3.67Å; M200-F259 HydrophobicContact SD-CD1 4.21Å; M200-F259 HydrophobicContact SD-CD2 4.19Å; M200-F259 HydrophobicContact SD-CG 3.77Å; Y229-F259 AromaticContact CD1-CD2 3.74Å; Y229-F259 HydrophobicContact CD1-CD2 3.74Å; Y229-F259 AromaticContact CD1-CE2 3.65Å; Y229-F259 HydrophobicContact CD1-CE2 3.65Å; Y229-F259 AromaticContact CE1-CD2 3.65Å; Y229-F259 HydrophobicContact CE1-CD2 3.65Å; Y229-F259 AromaticContact CE1-CE2 3.74Å; Y229-F259 HydrophobicContact CE1-CE2 3.74Å; L255-F259 VanDerWaalsContact O-CB 3.27Å; L255-F259 WeakPolarHBondContact O-CB 3.41Å; L255-F259 PolarHBondContact O-N 3.38Å; F259-P261 HydrophobicContact CD1-CB 3.8Å; F259-P261 HydrophobicContact CD1-CG 4.18Å; F259-P261 HydrophobicContact CE1-CB 3.98Å |
| 260 | D | 94.5 | Very high | 95.9 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 35% | 0.348 | 14% | 0.141 | S | C | . | . | trans | 43.3 | 61.5 | -175.5 | -175.6 | 36.8 | 0 | 0 | 0 | 112.5 | R173 R256 | R173-D260 VanDerWaalsContact CZ-O 3.26Å; R173-D260 IonicContact CZ-OD2 3.92Å; R173-D260 PolarHBondContact NE-O 2.67Å; R173-D260 PolarHBondContact NH2-O 2.96Å; R173-D260 IonicContact NH2-OD2 3.63Å; R173-D260 PolarHBondContact NH2-OD2 3.27Å; R256-D260 IonicContact CZ-OD1 3.77Å; R256-D260 IonicContact NH1-OD1 2.98Å; R256-D260 PolarHBondContact NH1-OD1 3.04Å; R256-D260 IonicContact NH2-OD1 2.62Å; R256-D260 PolarHBondContact NH2-OD1 2.95Å; R256-D260 WeakPolarHBondContact O-CA 3.17Å; R256-D260 PolarHBondContact O-N 3.19Å; R256-D260 VanDerWaalsContact O-N 3.14Å | ||
| 261 | P | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | trans | -60.7 | 157.4 | -178.1 | 22.3 | -31.2 | 0 | 0 | 0 | 112.3 | L175 R256 F259 M300 | L175-P261 HydrophobicContact CB-CB 3.73Å; L175-P261 HydrophobicContact CB-CG 4.05Å; L175-P261 HydrophobicContact CD2-CG 4.24Å; R256-P261 PolarHBondContact NH1-O 3.45Å; F259-P261 HydrophobicContact CD1-CB 3.8Å; F259-P261 HydrophobicContact CD1-CG 4.18Å; F259-P261 HydrophobicContact CE1-CB 3.98Å; P261-M300 HydrophobicContact CB-CE 4.37Å; P261-M300 HydrophobicContact CB-SD 4.11Å; P261-M300 HydrophobicContact CG-CE 3.64Å; P261-M300 HydrophobicContact CG-SD 3.84Å | ||
| 262 | H | 98 | Very high | 96.2 | Very high | 62 Ų | 62 | 25 Ų | 25 | 29% | 0.287 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -108.6 | -21.4 | 175 | -60.3 | 163 | 0 | 0 | 0 | 113 | Y171 K172 R173 P301 | Y171-H262 HydrophobicContact CD1-CB 3.91Å; Y171-H262 HydrophobicContact CG-CB 4.37Å; K172-H262 PolarHBondContact N-ND1 3.09Å; R173-H262 PolarHBondContact NH2-NE2 2.85Å; R173-H262 PolarHBondContact O-N 3.05Å; H262-P301 WeakPolarHBondContact O-CD 3.5Å |
| 263 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L167 Y171 R173 I174 L175 P301 | L167-A263 HydrophobicContact CD1-CB 4.48Å; Y171-A263 HydrophobicContact CD1-CB 4.27Å; Y171-A263 HydrophobicContact CD2-CB 3.71Å; Y171-A263 HydrophobicContact CE2-CB 4.19Å; Y171-A263 HydrophobicContact CG-CB 3.76Å; R173-A263 PolarHBondContact O-N 2.86Å; I174-A263 WeakPolarHBondContact CA-O 3.34Å; I174-A263 HydrophobicContact CD1-CB 3.88Å; L175-A263 PolarHBondContact N-O 2.87Å; A263-P301 CarbonylContact C-O 3.53Å; A263-P301 WeakPolarHBondContact CA-O 3.49Å; A263-P301 HydrophobicContact CB-CB 4.12Å |
| 264 | I | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.4 | -178.9 | -44.8 | 176.8 | 0 | 0 | 0 | 109 | L175 V177 V266 I295 L298 M300 P301 C302 L303 | L175-I264 HydrophobicContact CB-CG2 4.43Å; L175-I264 HydrophobicContact CD2-CG2 4.48Å; L175-I264 CarbonylContact O-C 3.54Å; L175-I264 VanDerWaalsContact O-CA 3.26Å; L175-I264 WeakPolarHBondContact O-CA 3.34Å; V177-I264 HydrophobicContact CG2-CG2 4.27Å; I264-V266 HydrophobicContact CG2-CG2 3.8Å; I264-I295 HydrophobicContact CD1-CG2 3.64Å; I264-I295 HydrophobicContact CG2-CG2 4.03Å; I264-L298 HydrophobicContact CD1-CB 4.36Å; I264-L298 HydrophobicContact CD1-CD1 3.86Å; I264-M300 HydrophobicContact CD1-CB 4.39Å; I264-M300 HydrophobicContact CD1-CE 3.44Å; I264-M300 VanDerWaalsContact CD1-CE 3.44Å; I264-M300 HydrophobicContact CG1-CB 4.25Å; I264-M300 HydrophobicContact CG1-CE 3.68Å; I264-M300 HydrophobicContact CG1-SD 4.49Å; I264-P301 PolarHBondContact N-O 2.77Å; I264-C302 CarbonylContact O-C 3.37Å; I264-C302 WeakPolarHBondContact O-CA 3.35Å; I264-L303 PolarHBondContact O-N 3.38Å |
| 265 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | 163.1 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | I164 L167 I174 L175 Y176 V177 L303 L305 | I164-V265 HydrophobicContact CG1-CB 4.39Å; I164-V265 HydrophobicContact CG1-CG2 3.86Å; L167-V265 HydrophobicContact CD1-CG2 3.42Å; L167-V265 VanDerWaalsContact CD1-CG2 3.42Å; I174-V265 HydrophobicContact CG2-CG2 4.09Å; L175-V265 PolarHBondContact O-N 2.83Å; Y176-V265 CarbonylContact C-O 3.59Å; Y176-V265 WeakPolarHBondContact CA-O 3.36Å; Y176-V265 HydrophobicContact CD2-CB 3.96Å; Y176-V265 HydrophobicContact CD2-CG1 3.84Å; Y176-V265 HydrophobicContact CE2-CG1 4.09Å; V177-V265 PolarHBondContact N-O 3.1Å; V265-L303 CarbonylContact C-O 3.38Å; V265-L303 WeakPolarHBondContact CA-O 3.16Å; V265-L303 HydrophobicContact CG1-CB 4.4Å; V265-L303 HydrophobicContact CG1-CD2 4.13Å; V265-L303 HydrophobicContact CG1-CG 4.26Å; V265-L303 HydrophobicContact CG2-CB 4.17Å; V265-L303 HydrophobicContact CG2-CD2 4.21Å; V265-L305 HydrophobicContact CG1-CD1 3.8Å; V265-L305 HydrophobicContact CG1-CG 4.33Å |
| 266 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.5 | 178.7 | -166.1 | 0 | 0 | 0 | 0 | 108.4 | V177 I264 L268 I295 L303 L304 L305 | V177-V266 HydrophobicContact CB-CG1 4.44Å; V177-V266 CarbonylContact O-C 3.58Å; V177-V266 VanDerWaalsContact O-CA 3.29Å; V177-V266 WeakPolarHBondContact O-CA 3.46Å; I264-V266 HydrophobicContact CG2-CG2 3.8Å; V266-L268 HydrophobicContact CG1-CD2 3.94Å; V266-L268 HydrophobicContact CG1-CG 3.9Å; V266-I295 HydrophobicContact CG1-CD1 3.96Å; V266-I295 HydrophobicContact CG2-CD1 4.07Å; V266-I295 HydrophobicContact CG2-CG2 3.79Å; V266-L303 PolarHBondContact N-O 3Å; V266-L304 HydrophobicContact CB-CD2 3.89Å; V266-L304 HydrophobicContact CG2-CD2 3.92Å; V266-L305 PolarHBondContact O-N 2.82Å |
| 267 | Q | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.4 | 166.6 | -163.7 | -80.6 | 15.6 | 0 | 0 | 107.2 | G142 Y176 V177 D178 L179 D180 G306 | G142-Q267 PolarHBondContact O-NE2 2.87Å; Y176-Q267 HydrophobicContact CE2-CB 4.1Å; Y176-Q267 WeakPolarHBondContact OH-CB 3.47Å; V177-Q267 PolarHBondContact O-N 3.13Å; D178-Q267 PolarHBondContact OD1-OE1 2.82Å; L179-Q267 PolarHBondContact N-O 2.87Å; L179-Q267 VanDerWaalsContact N-O 3.1Å; D180-Q267 PolarHBondContact OD2-NE2 3.36Å; Q267-G306 WeakPolarHBondContact CG-O 3.42Å |
| 268 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -118.9 | 56.4 | -177.2 | -68.2 | 162.8 | 0 | 0 | 0 | 109.5 | L179 V266 V270 L304 L305 G306 W319 L322 | L179-L268 HydrophobicContact CD1-CD2 3.85Å; V266-L268 HydrophobicContact CG1-CD2 3.94Å; V266-L268 HydrophobicContact CG1-CG 3.9Å; L268-V270 WeakPolarHBondContact O-CG1 3.48Å; L268-V270 PolarHBondContact O-N 2.92Å; L268-L304 HydrophobicContact CD1-CB 4.21Å; L268-L304 HydrophobicContact CD1-CD2 4.29Å; L268-L305 WeakPolarHBondContact CB-O 3.22Å; L268-L305 PolarHBondContact N-O 3.05Å; L268-G306 CarbonylContact C-O 3.57Å; L268-G306 PolarHBondContact N-O 3.34Å; L268-G306 VanDerWaalsContact N-O 3.13Å; L268-W319 HydrophobicContact CB-CH2 4.06Å; L268-W319 HydrophobicContact CB-CZ2 3.62Å; L268-W319 HydrophobicContact CD1-CH2 4Å; L268-W319 HydrophobicContact CD1-CZ2 4.39Å; L268-W319 PolarHBondContact O-NE1 3.1Å; L268-L322 HydrophobicContact CB-CD1 4.33Å; L268-L322 HydrophobicContact CD1-CD1 4.25Å; L268-L322 HydrophobicContact CD1-CD2 4.3Å; L268-L322 HydrophobicContact CD2-CD2 4.33Å | ||
| 269 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -62.3 | 124.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | D180 Y288 G306 G308 | D180-G269 WeakPolarHBondContact OD2-CA 3.29Å; G269-Y288 WeakPolarHBondContact O-CE1 3.48Å; G269-G306 PolarHBondContact N-O 3.49Å; G269-G308 WeakPolarHBondContact CA-O 3.22Å | ||
| 270 | V | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | trans | -108.9 | 20.9 | -171.9 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | L268 G272 L273 Y288 G308 F315 C318 L322 | L268-V270 WeakPolarHBondContact O-CG1 3.48Å; L268-V270 PolarHBondContact O-N 2.92Å; V270-G272 PolarHBondContact O-N 3.49Å; V270-L273 HydrophobicContact CB-CD1 3.75Å; V270-L273 HydrophobicContact CB-CG 4.11Å; V270-L273 HydrophobicContact CG2-CD1 4.11Å; V270-L273 WeakPolarHBondContact O-CB 3.4Å; V270-L273 WeakPolarHBondContact O-CD1 3.34Å; V270-L273 WeakPolarHBondContact O-CG 3.44Å; V270-L273 PolarHBondContact O-N 3.24Å; V270-L273 VanDerWaalsContact O-N 3.11Å; V270-Y288 HydrophobicContact CG1-CD1 4.19Å; V270-Y288 HydrophobicContact CG1-CE1 4.14Å; V270-Y288 HydrophobicContact CG1-CG 4.41Å; V270-G308 PolarHBondContact N-O 2.99Å; V270-F315 HydrophobicContact CG2-CB 4.19Å; V270-F315 HydrophobicContact CG2-CD2 3.29Å; V270-F315 HydrophobicContact CG2-CE2 3.89Å; V270-F315 HydrophobicContact CG2-CG 3.98Å; V270-C318 HydrophobicContact CG1-CB 4.25Å; V270-L322 HydrophobicContact CG1-CD1 4.35Å | ||
| 271 | D | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -4.9 | 174 | 49.1 | 4.8 | 0 | 0 | 0 | 114.4 | V181 H182 D276 G308 Y310 | V181-D271 HydrophobicContact CG1-CB 4.12Å; V181-D271 VanDerWaalsContact CG1-CG 3.43Å; V181-D271 WeakPolarHBondContact CG1-OD1 2.96Å; V181-D271 PolarHBondContact N-OD1 3.31Å; H182-D271 IonicContact CE1-OD2 2.68Å; H182-D271 PolarHBondContact CE1-OD2 3.35Å; H182-D271 IonicContact ND1-OD2 3.97Å; H182-D271 PolarHBondContact ND1-OD2 3.48Å; H182-D271 VanDerWaalsContact ND1-OD2 3.12Å; D271-D276 WeakPolarHBondContact O-CB 3.35Å; D271-G308 WeakPolarHBondContact OD2-CA 3.29Å; D271-Y310 HydrophobicContact CB-CD2 3.92Å; D271-Y310 HydrophobicContact CB-CE2 3.83Å; D271-Y310 WeakPolarHBondContact OD2-CE2 3.39Å |
| 272 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V270 F281 L283 Y288 | V270-G272 PolarHBondContact O-N 3.49Å; G272-F281 CarbonylContact O-C 3.19Å; G272-F281 WeakPolarHBondContact O-CB 3.25Å; G272-L283 WeakPolarHBondContact O-CB 3.12Å; G272-L283 PolarHBondContact O-N 2.95Å; G272-Y288 VanDerWaalsContact CA-OH 3.26Å; G272-Y288 WeakPolarHBondContact CA-OH 3.2Å; G272-Y288 PolarHBondContact N-OH 3.47Å |
| 273 | L | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 141.7 | 177.8 | -73.5 | 172.8 | 0 | 0 | 0 | 111.5 | V270 G275 D276 L283 T284 P285 Y288 N314 C318 I352 | V270-L273 HydrophobicContact CB-CD1 3.75Å; V270-L273 HydrophobicContact CB-CG 4.11Å; V270-L273 HydrophobicContact CG2-CD1 4.11Å; V270-L273 WeakPolarHBondContact O-CB 3.4Å; V270-L273 WeakPolarHBondContact O-CD1 3.34Å; V270-L273 WeakPolarHBondContact O-CG 3.44Å; V270-L273 PolarHBondContact O-N 3.24Å; V270-L273 VanDerWaalsContact O-N 3.11Å; L273-G275 PolarHBondContact O-N 2.96Å; L273-D276 VanDerWaalsContact O-CB 3.22Å; L273-D276 WeakPolarHBondContact O-CB 3.42Å; L273-D276 PolarHBondContact O-N 2.68Å; L273-D276 VanDerWaalsContact O-N 3.08Å; L273-L283 CarbonylContact C-O 3.59Å; L273-L283 WeakPolarHBondContact CA-O 3.5Å; L273-T284 VanDerWaalsContact CD2-C 3.42Å; L273-P285 HydrophobicContact CD2-CG 4.18Å; L273-Y288 HydrophobicContact CD2-CD2 4.04Å; L273-Y288 HydrophobicContact CD2-CE2 3.66Å; L273-Y288 HydrophobicContact CG-CE2 3.85Å; L273-N314 HydrophobicContact CD1-CB 4.14Å; L273-C318 HydrophobicContact CD1-CB 3.64Å; L273-I352 HydrophobicContact CD1-CD1 4.23Å |
| 274 | T | 97.9 | Very high | 97.8 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 11% | 0.11 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.9 | 166.3 | -176 | 0 | 0 | 0 | 0 | 111.2 | D276 N282 L283 N314 I352 Q353 G355 | T274-D276 VanDerWaalsContact C-N 3.27Å; T274-D276 PolarHBondContact O-N 3.02Å; T274-N282 WeakPolarHBondContact CB-OD1 3.29Å; T274-N282 PolarHBondContact OG1-OD1 3.31Å; T274-L283 WeakPolarHBondContact CG2-O 3.41Å; T274-L283 PolarHBondContact N-O 3Å; T274-N314 PolarHBondContact O-ND2 3.3Å; T274-I352 HydrophobicContact CG2-CG2 3.46Å; T274-I352 VanDerWaalsContact CG2-CG2 3.46Å; T274-Q353 WeakPolarHBondContact CG2-O 3.4Å; T274-G355 WeakPolarHBondContact OG1-CA 3.33Å; T274-G355 PolarHBondContact OG1-N 2.95Å; T274-G355 VanDerWaalsContact OG1-N 3.11Å |
| 275 | G | 96 | Very high | 97.8 | Very high | 56 Ų | 56 | 17.3 Ų | 17.3 | 58% | 0.577 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -1.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L273 | L273-G275 PolarHBondContact O-N 2.96Š|
| 276 | D | 97.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | trans | -67.6 | 139.3 | 168.2 | -165.6 | -81.7 | 0 | 0 | 0 | 110.9 | D271 L273 T274 N278 Q279 Y310 Q311 | D271-D276 WeakPolarHBondContact O-CB 3.35Å; L273-D276 VanDerWaalsContact O-CB 3.22Å; L273-D276 WeakPolarHBondContact O-CB 3.42Å; L273-D276 PolarHBondContact O-N 2.68Å; L273-D276 VanDerWaalsContact O-N 3.08Å; T274-D276 VanDerWaalsContact C-N 3.27Å; T274-D276 PolarHBondContact O-N 3.02Å; D276-N278 PolarHBondContact O-N 3.32Å; D276-N278 VanDerWaalsContact O-N 3.08Å; D276-N278 WeakPolarHBondContact OD1-CB 3.44Å; D276-N278 PolarHBondContact OD1-N 3.37Å; D276-N278 PolarHBondContact OD1-ND2 3.12Å; D276-Q279 PolarHBondContact O-N 2.88Å; D276-Y310 PolarHBondContact OD2-N 3.33Å; D276-Q311 PolarHBondContact OD2-N 2.93Å | ||
| 277 | P | 96.2 | Very high | 97.7 | Very high | 77 Ų | 77 | 22 Ų | 22 | 50% | 0.5 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -28.2 | 176.9 | -29.8 | 35.3 | 0 | 0 | 0 | 115.5 | Q279 | P277-Q279 PolarHBondContact O-N 3.24Š|
| 278 | N | 95.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 22 Ų | 22 | 24% | 0.241 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.9 | 178.8 | -71.7 | -31.6 | 0 | 0 | 0 | 113.5 | H182 R237 D276 A280 Y310 | H182-N278 PolarHBondContact CE1-ND2 3.39Å; R237-N278 PolarHBondContact NH1-O 2.72Å; D276-N278 PolarHBondContact O-N 3.32Å; D276-N278 VanDerWaalsContact O-N 3.08Å; D276-N278 WeakPolarHBondContact OD1-CB 3.44Å; D276-N278 PolarHBondContact OD1-N 3.37Å; D276-N278 PolarHBondContact OD1-ND2 3.12Å; N278-A280 HydrophobicContact CB-CB 4.3Å; N278-A280 PolarHBondContact O-N 2.82Å; N278-Y310 VanDerWaalsContact ND2-CD2 3.34Å; N278-Y310 WeakPolarHBondContact ND2-CD2 3.35Å; N278-Y310 WeakPolarHBondContact ND2-CE2 3.42Å |
| 279 | Q | 95.7 | Very high | 97.7 | Very high | 129 Ų | 129 | 22.8 Ų | 22.8 | 60% | 0.603 | 14% | 0.136 | S | C | * | . | trans | 47.9 | 37.8 | 180 | -64 | 175.5 | 63.9 | 0 | 0 | 112.7 | R237 D276 P277 L357 | R237-Q279 WeakPolarHBondContact CG-O 3.34Å; R237-Q279 PolarHBondContact NH1-O 3.05Å; D276-Q279 PolarHBondContact O-N 2.88Å; P277-Q279 PolarHBondContact O-N 3.24Å; Q279-L357 WeakPolarHBondContact O-CD2 3.34Å | ||
| 280 | A | 97.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | trans | -89.8 | -63.3 | -171 | 0 | 0 | 0 | 0 | 0 | 110.7 | V181 L206 F211 R237 G238 N278 | V181-A280 HydrophobicContact CB-CB 4.3Å; V181-A280 HydrophobicContact CG1-CB 4.19Å; V181-A280 HydrophobicContact CG2-CB 3.29Å; L206-A280 HydrophobicContact CB-CB 4.49Å; L206-A280 HydrophobicContact CD2-CB 3.54Å; F211-A280 HydrophobicContact CE2-CB 4.16Å; F211-A280 HydrophobicContact CZ-CB 4.04Å; R237-A280 CarbonylContact C-O 3.33Å; R237-A280 VanDerWaalsContact CA-O 3.24Å; R237-A280 WeakPolarHBondContact CA-O 3.43Å; R237-A280 VanDerWaalsContact CG-O 3.27Å; R237-A280 WeakPolarHBondContact CG-O 3.28Å; G238-A280 PolarHBondContact N-O 3.21Å; N278-A280 HydrophobicContact CB-CB 4.3Å; N278-A280 PolarHBondContact O-N 2.82Å | ||
| 281 | F | 98.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | trans | -106 | 177.7 | 172.7 | -58.3 | -29.1 | 0 | 0 | 0 | 112.1 | V181 L206 L235 L239 G272 L283 | V181-F281 HydrophobicContact CB-CD2 4.49Å; V181-F281 HydrophobicContact CB-CE2 4.44Å; V181-F281 HydrophobicContact CG2-CD1 4.24Å; V181-F281 HydrophobicContact CG2-CD2 3.69Å; V181-F281 HydrophobicContact CG2-CE1 4.18Å; V181-F281 HydrophobicContact CG2-CE2 3.63Å; V181-F281 HydrophobicContact CG2-CG 3.99Å; V181-F281 HydrophobicContact CG2-CZ 3.88Å; L206-F281 HydrophobicContact CB-CE1 3.89Å; L206-F281 HydrophobicContact CB-CZ 4.13Å; L206-F281 HydrophobicContact CD1-CE1 4.33Å; L235-F281 HydrophobicContact CB-CE1 3.83Å; L235-F281 HydrophobicContact CB-CZ 3.7Å; L235-F281 HydrophobicContact CD1-CE2 4.24Å; L235-F281 HydrophobicContact CD1-CZ 3.82Å; L235-F281 HydrophobicContact CG-CZ 4.4Å; L239-F281 HydrophobicContact CB-CB 4.31Å; L239-F281 HydrophobicContact CB-CD1 3.71Å; L239-F281 HydrophobicContact CB-CE1 4.17Å; L239-F281 HydrophobicContact CB-CG 4.01Å; L239-F281 HydrophobicContact CD2-CD2 4.48Å; L239-F281 HydrophobicContact CD2-CE1 4.41Å; L239-F281 HydrophobicContact CD2-CE2 4.35Å; L239-F281 HydrophobicContact CD2-CZ 4.33Å; G272-F281 CarbonylContact O-C 3.19Å; G272-F281 WeakPolarHBondContact O-CB 3.25Å; F281-L283 HydrophobicContact CB-CD1 4.28Å; F281-L283 HydrophobicContact CB-CG 3.86Å; F281-L283 HydrophobicContact CD2-CD1 3.92Å; F281-L283 HydrophobicContact CD2-CG 4.38Å | ||
| 282 | N | 98 | Very high | 97.7 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -125.5 | 45 | 177.6 | -167.8 | 15.3 | 0 | 0 | 0 | 109.7 | L239 T274 G355 L357 | L239-N282 CarbonylContact O-C 3.52Å; L239-N282 WeakPolarHBondContact O-CA 3.47Å; L239-N282 PolarHBondContact O-N 3.11Å; T274-N282 WeakPolarHBondContact CB-OD1 3.29Å; T274-N282 PolarHBondContact OG1-OD1 3.31Å; N282-G355 PolarHBondContact ND2-O 3.4Å; N282-G355 WeakPolarHBondContact OD1-CA 3.43Å; N282-G355 PolarHBondContact OD1-N 3.03Å; N282-L357 HydrophobicContact CB-CB 4.34Å | ||
| 283 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 155.3 | -177.9 | -59 | -178.4 | 0 | 0 | 0 | 111 | D241 F244 G272 L273 T274 F281 S287 Y288 | D241-L283 WeakPolarHBondContact OD1-CA 3.33Å; F244-L283 HydrophobicContact CB-CD2 3.89Å; F244-L283 HydrophobicContact CD2-CD1 3.88Å; F244-L283 HydrophobicContact CD2-CD2 4.34Å; F244-L283 HydrophobicContact CE2-CD1 4.14Å; F244-L283 HydrophobicContact CG-CD1 4.29Å; F244-L283 HydrophobicContact CG-CD2 4.28Å; G272-L283 WeakPolarHBondContact O-CB 3.12Å; G272-L283 PolarHBondContact O-N 2.95Å; L273-L283 CarbonylContact C-O 3.59Å; L273-L283 WeakPolarHBondContact CA-O 3.5Å; T274-L283 WeakPolarHBondContact CG2-O 3.41Å; T274-L283 PolarHBondContact N-O 3Å; F281-L283 HydrophobicContact CB-CD1 4.28Å; F281-L283 HydrophobicContact CB-CG 3.86Å; F281-L283 HydrophobicContact CD2-CD1 3.92Å; F281-L283 HydrophobicContact CD2-CG 4.38Å; L283-S287 WeakPolarHBondContact CB-OG 3.46Å; L283-Y288 HydrophobicContact CB-CE2 4.12Å; L283-Y288 HydrophobicContact CD1-CE2 4.19Å |
| 284 | T | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | trans | -113.2 | 172.8 | 165.7 | 78.9 | 0 | 0 | 0 | 0 | 109.3 | D241 L273 I286 S287 I352 | D241-T284 PolarHBondContact OD1-N 3.2Å; D241-T284 WeakPolarHBondContact OD2-CB 3.27Å; D241-T284 WeakPolarHBondContact OD2-CG2 3.24Å; D241-T284 PolarHBondContact OD2-N 3.08Å; D241-T284 PolarHBondContact OD2-OG1 3.44Å; L273-T284 VanDerWaalsContact CD2-C 3.42Å; T284-I286 PolarHBondContact O-N 3.41Å; T284-I286 WeakPolarHBondContact OG1-CB 3.45Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.45Å; T284-I286 PolarHBondContact OG1-N 2.95Å; T284-S287 PolarHBondContact O-N 2.79Å; T284-S287 PolarHBondContact O-OG 2.75Å; T284-I352 WeakPolarHBondContact CG2-O 3.27Å | ||
| 285 | P | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.5 | -18.1 | 174.3 | -29.5 | 38.9 | 0 | 0 | 0 | 114.2 | L273 Y288 C289 C318 I352 | L273-P285 HydrophobicContact CD2-CG 4.18Å; P285-Y288 PolarHBondContact O-N 3.36Å; P285-C289 WeakPolarHBondContact O-CB 3.36Å; P285-C289 PolarHBondContact O-N 3.36Å; P285-C289 PolarHBondContact O-SG 2.91Å; P285-C318 HydrophobicContact CB-CB 4.35Å; P285-C318 HydrophobicContact CG-CB 4.05Å; P285-I352 HydrophobicContact CG-CB 4.41Å; P285-I352 HydrophobicContact CG-CD1 3.7Å; P285-I352 HydrophobicContact CG-CG1 4.08Å |
| 286 | I | 98.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 27 Ų | 27 | 50% | 0.503 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 177.2 | -63.6 | 173.3 | 0 | 0 | 0 | 111.1 | I245 T284 Y288 C289 V290 | I245-I286 HydrophobicContact CD1-CG2 4.21Å; T284-I286 PolarHBondContact O-N 3.41Å; T284-I286 WeakPolarHBondContact OG1-CB 3.45Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.45Å; T284-I286 PolarHBondContact OG1-N 2.95Å; I286-Y288 PolarHBondContact O-N 3.08Å; I286-C289 PolarHBondContact O-N 3.45Å; I286-V290 HydrophobicContact CG2-CG2 4.17Å; I286-V290 WeakPolarHBondContact O-CB 3.34Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.25Å; I286-V290 PolarHBondContact O-N 3.46Å |
| 287 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | D241 L283 T284 S291 | D241-S287 WeakPolarHBondContact OD1-CB 3.48Å; D241-S287 PolarHBondContact OD1-OG 3.41Å; L283-S287 WeakPolarHBondContact CB-OG 3.46Å; T284-S287 PolarHBondContact O-N 2.79Å; T284-S287 PolarHBondContact O-OG 2.75Å; S287-S291 VanDerWaalsContact O-CB 3.27Å; S287-S291 WeakPolarHBondContact O-CB 3.42Å; S287-S291 PolarHBondContact O-N 3.48Å; S287-S291 PolarHBondContact O-OG 3.05Å |
| 288 | Y | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.9 | -61.2 | -84.7 | 0 | 0 | 0 | 112.7 | L179 G269 V270 G272 L273 L283 P285 I286 S291 L292 | L179-Y288 HydrophobicContact CB-CE1 4.39Å; G269-Y288 WeakPolarHBondContact O-CE1 3.48Å; V270-Y288 HydrophobicContact CG1-CD1 4.19Å; V270-Y288 HydrophobicContact CG1-CE1 4.14Å; V270-Y288 HydrophobicContact CG1-CG 4.41Å; G272-Y288 VanDerWaalsContact CA-OH 3.26Å; G272-Y288 WeakPolarHBondContact CA-OH 3.2Å; G272-Y288 PolarHBondContact N-OH 3.47Å; L273-Y288 HydrophobicContact CD2-CD2 4.04Å; L273-Y288 HydrophobicContact CD2-CE2 3.66Å; L273-Y288 HydrophobicContact CG-CE2 3.85Å; L283-Y288 HydrophobicContact CB-CE2 4.12Å; L283-Y288 HydrophobicContact CD1-CE2 4.19Å; P285-Y288 PolarHBondContact O-N 3.36Å; I286-Y288 PolarHBondContact O-N 3.08Å; Y288-S291 PolarHBondContact O-N 2.77Å; Y288-L292 WeakPolarHBondContact O-CB 3.4Å; Y288-L292 PolarHBondContact O-N 2.88Å |
| 289 | C | 98.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 32 Ų | 32 | 11% | 0.108 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | -179.6 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | P285 I286 S291 L292 Q293 T325 | P285-C289 WeakPolarHBondContact O-CB 3.36Å; P285-C289 PolarHBondContact O-N 3.36Å; P285-C289 PolarHBondContact O-SG 2.91Å; I286-C289 PolarHBondContact O-N 3.45Å; C289-S291 VanDerWaalsContact C-N 3.32Å; C289-L292 PolarHBondContact O-N 3.23Å; C289-Q293 WeakPolarHBondContact O-CB 3.39Å; C289-Q293 PolarHBondContact O-N 2.96Å; C289-T325 HydrophobicContact CB-CG2 4.42Å |
| 290 | V | 98.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 27 Ų | 27 | 17% | 0.17 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110 | I245 I286 L292 Q293 R294 | I245-V290 HydrophobicContact CD1-CB 3.97Å; I245-V290 HydrophobicContact CD1-CG1 4.04Å; I245-V290 HydrophobicContact CD1-CG2 4.02Å; I245-V290 HydrophobicContact CG1-CB 4.13Å; I245-V290 HydrophobicContact CG1-CG1 3.96Å; I245-V290 HydrophobicContact CG2-CG1 3.85Å; I286-V290 HydrophobicContact CG2-CG2 4.17Å; I286-V290 WeakPolarHBondContact O-CB 3.34Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.25Å; I286-V290 PolarHBondContact O-N 3.46Å; V290-L292 PolarHBondContact O-N 3.1Å; V290-Q293 WeakPolarHBondContact O-CB 3.15Å; V290-Q293 PolarHBondContact O-N 3.23Å; V290-R294 HydrophobicContact CG1-CG 4.42Å; V290-R294 VanDerWaalsContact O-CG 3.31Å; V290-R294 WeakPolarHBondContact O-CG 3.41Å; V290-R294 PolarHBondContact O-N 2.97Å |
| 291 | S | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | F244 L248 S287 Y288 C289 Q293 R294 I295 | F244-S291 WeakPolarHBondContact CE1-OG 3.35Å; L248-S291 VanDerWaalsContact CD2-CA 3.42Å; L248-S291 WeakPolarHBondContact CD2-OG 3.25Å; S287-S291 VanDerWaalsContact O-CB 3.27Å; S287-S291 WeakPolarHBondContact O-CB 3.42Å; S287-S291 PolarHBondContact O-N 3.48Å; S287-S291 PolarHBondContact O-OG 3.05Å; Y288-S291 PolarHBondContact O-N 2.77Å; C289-S291 VanDerWaalsContact C-N 3.32Å; S291-Q293 VanDerWaalsContact C-N 3.33Å; S291-Q293 PolarHBondContact O-N 3.46Å; S291-R294 PolarHBondContact O-N 2.83Å; S291-I295 WeakPolarHBondContact O-CG1 3.27Å; S291-I295 PolarHBondContact O-N 2.76Å |
| 292 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 176 | 179 | 60 | 0 | 0 | 0 | 111.5 | Y288 C289 V290 R294 I295 L296 L304 L322 T325 A326 | Y288-L292 WeakPolarHBondContact O-CB 3.4Å; Y288-L292 PolarHBondContact O-N 2.88Å; C289-L292 PolarHBondContact O-N 3.23Å; V290-L292 PolarHBondContact O-N 3.1Å; L292-R294 VanDerWaalsContact C-N 3.34Å; L292-R294 PolarHBondContact O-N 3.43Å; L292-I295 PolarHBondContact O-N 2.9Å; L292-L296 HydrophobicContact CD1-CD1 3.85Å; L292-L296 HydrophobicContact CD1-CD2 4.29Å; L292-L296 HydrophobicContact CD1-CG 3.78Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.2Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 VanDerWaalsContact O-CG 3.29Å; L292-L296 WeakPolarHBondContact O-CG 3.19Å; L292-L296 PolarHBondContact O-N 3.39Å; L292-L304 HydrophobicContact CD1-CD1 3.69Å; L292-L304 HydrophobicContact CD1-CD2 3.56Å; L292-L304 HydrophobicContact CD1-CG 4.3Å; L292-L304 HydrophobicContact CD2-CD1 4.17Å; L292-L322 HydrophobicContact CB-CD2 4.09Å; L292-L322 HydrophobicContact CD2-CB 4.28Å; L292-L322 HydrophobicContact CD2-CD2 3.72Å; L292-L322 WeakPolarHBondContact CD2-O 3.22Å; L292-T325 HydrophobicContact CD2-CG2 4.32Å; L292-T325 HydrophobicContact CG-CG2 4.48Å; L292-A326 HydrophobicContact CD2-CB 4.31Å |
| 293 | Q | 97.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 28 Ų | 28 | 19% | 0.187 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.5 | -175.8 | -179.9 | 32.7 | 0 | 0 | 111.9 | S2 T4 C289 V290 S291 A297 T325 | S2-Q293 PolarHBondContact O-NE2 3.11Å; T4-Q293 HydrophobicContact CG2-CG 4.28Å; C289-Q293 WeakPolarHBondContact O-CB 3.39Å; C289-Q293 PolarHBondContact O-N 2.96Å; V290-Q293 WeakPolarHBondContact O-CB 3.15Å; V290-Q293 PolarHBondContact O-N 3.23Å; S291-Q293 VanDerWaalsContact C-N 3.33Å; S291-Q293 PolarHBondContact O-N 3.46Å; Q293-A297 WeakPolarHBondContact O-CB 3.3Å; Q293-A297 PolarHBondContact O-N 3.16Å; Q293-T325 HydrophobicContact CB-CG2 4.33Å |
| 294 | R | 97 | Very high | 97.5 | Very high | 83 Ų | 83 | 28 Ų | 28 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 177.4 | -66.1 | -63.6 | -175.5 | -82.9 | -6.7 | 111.9 | L248 D249 L252 V290 S291 L292 A297 | L248-R294 HydrophobicContact CD2-CB 4.35Å; L248-R294 HydrophobicContact CD2-CG 4.44Å; D249-R294 WeakPolarHBondContact OD1-CD 3.35Å; D249-R294 IonicContact OD1-CZ 3.53Å; D249-R294 IonicContact OD1-NE 2.71Å; D249-R294 PolarHBondContact OD1-NE 3.37Å; D249-R294 IonicContact OD2-NE 2.77Å; D249-R294 IonicContact OD2-NH2 3.96Å; L252-R294 HydrophobicContact CD2-CB 3.75Å; V290-R294 HydrophobicContact CG1-CG 4.42Å; V290-R294 VanDerWaalsContact O-CG 3.31Å; V290-R294 WeakPolarHBondContact O-CG 3.41Å; V290-R294 PolarHBondContact O-N 2.97Å; S291-R294 PolarHBondContact O-N 2.83Å; L292-R294 VanDerWaalsContact C-N 3.34Å; L292-R294 PolarHBondContact O-N 3.43Å; R294-A297 PolarHBondContact O-N 2.91Å |
| 295 | I | 96.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -47.3 | 179 | -66.8 | 166 | 0 | 0 | 0 | 110.8 | V177 L252 I264 V266 S291 L292 A297 L298 | V177-I295 HydrophobicContact CB-CD1 4.5Å; V177-I295 HydrophobicContact CG1-CD1 4.16Å; L252-I295 HydrophobicContact CD1-CG1 4.29Å; L252-I295 HydrophobicContact CD2-CG1 3.85Å; I264-I295 HydrophobicContact CD1-CG2 3.64Å; I264-I295 HydrophobicContact CG2-CG2 4.03Å; V266-I295 HydrophobicContact CG1-CD1 3.96Å; V266-I295 HydrophobicContact CG2-CD1 4.07Å; V266-I295 HydrophobicContact CG2-CG2 3.79Å; S291-I295 WeakPolarHBondContact O-CG1 3.27Å; S291-I295 PolarHBondContact O-N 2.76Å; L292-I295 PolarHBondContact O-N 2.9Å; I295-A297 PolarHBondContact O-N 3.35Å; I295-L298 VanDerWaalsContact O-CB 3.24Å; I295-L298 WeakPolarHBondContact O-CB 3.47Å; I295-L298 WeakPolarHBondContact O-CG 3.49Å; I295-L298 PolarHBondContact O-N 2.92Å |
| 296 | L | 96.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -29.5 | 178.2 | -68.5 | 179.9 | 0 | 0 | 0 | 112.5 | T4 V135 L292 L298 N299 C302 A326 | T4-L296 HydrophobicContact CG2-CB 4.39Å; T4-L296 HydrophobicContact CG2-CD1 4.47Å; V135-L296 HydrophobicContact CG2-CD2 3.72Å; L292-L296 HydrophobicContact CD1-CD1 3.85Å; L292-L296 HydrophobicContact CD1-CD2 4.29Å; L292-L296 HydrophobicContact CD1-CG 3.78Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.2Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 VanDerWaalsContact O-CG 3.29Å; L292-L296 WeakPolarHBondContact O-CG 3.19Å; L292-L296 PolarHBondContact O-N 3.39Å; L296-L298 PolarHBondContact O-N 3.35Å; L296-L298 VanDerWaalsContact O-N 3.15Å; L296-N299 PolarHBondContact O-N 3.24Å; L296-C302 HydrophobicContact CD2-CB 4.05Å; L296-A326 HydrophobicContact CD1-CB 4.24Å |
| 297 | A | 95.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 22.7 Ų | 22.7 | 36% | 0.364 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q293 R294 I295 N299 | Q293-A297 WeakPolarHBondContact O-CB 3.3Å; Q293-A297 PolarHBondContact O-N 3.16Å; R294-A297 PolarHBondContact O-N 2.91Å; I295-A297 PolarHBondContact O-N 3.35Å; A297-N299 PolarHBondContact O-N 2.8Å; A297-N299 PolarHBondContact O-ND2 3.43Å |
| 298 | L | 94.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 22.8 Ų | 22.8 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.6 | 170.5 | -56.4 | 177.8 | 0 | 0 | 0 | 113 | L252 R256 I264 I295 L296 M300 | L252-L298 HydrophobicContact CD1-CD1 4.1Å; L252-L298 HydrophobicContact CG-CD1 4.34Å; R256-L298 HydrophobicContact CB-CD2 4.25Å; R256-L298 HydrophobicContact CG-CD2 4.16Å; I264-L298 HydrophobicContact CD1-CB 4.36Å; I264-L298 HydrophobicContact CD1-CD1 3.86Å; I295-L298 VanDerWaalsContact O-CB 3.24Å; I295-L298 WeakPolarHBondContact O-CB 3.47Å; I295-L298 WeakPolarHBondContact O-CG 3.49Å; I295-L298 PolarHBondContact O-N 2.92Å; L296-L298 PolarHBondContact O-N 3.35Å; L296-L298 VanDerWaalsContact O-N 3.15Å; L298-M300 VanDerWaalsContact C-N 3.35Å; L298-M300 HydrophobicContact CB-CE 3.48Å; L298-M300 VanDerWaalsContact CB-CE 3.48Å; L298-M300 HydrophobicContact CD1-CE 3.77Å; L298-M300 HydrophobicContact CG-CE 4.24Å; L298-M300 PolarHBondContact O-N 2.99Å |
| 299 | N | 94.3 | Very high | 97.4 | Very high | 148 Ų | 148 | 22.8 Ų | 22.8 | 79% | 0.791 | 12% | 0.124 | S | C | * | . | trans | 54.6 | 42.9 | 174.3 | -63.3 | -68.1 | 0 | 0 | 0 | 114.3 | L296 A297 | L296-N299 PolarHBondContact O-N 3.24Å; A297-N299 PolarHBondContact O-N 2.8Å; A297-N299 PolarHBondContact O-ND2 3.43Å | ||
| 300 | M | 95.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -114.8 | 157.2 | 176.6 | -69.6 | -179.7 | -72.6 | 0 | 0 | 111.2 | P261 I264 L298 C302 | P261-M300 HydrophobicContact CB-CE 4.37Å; P261-M300 HydrophobicContact CB-SD 4.11Å; P261-M300 HydrophobicContact CG-CE 3.64Å; P261-M300 HydrophobicContact CG-SD 3.84Å; I264-M300 HydrophobicContact CD1-CB 4.39Å; I264-M300 HydrophobicContact CD1-CE 3.44Å; I264-M300 VanDerWaalsContact CD1-CE 3.44Å; I264-M300 HydrophobicContact CG1-CB 4.25Å; I264-M300 HydrophobicContact CG1-CE 3.68Å; I264-M300 HydrophobicContact CG1-SD 4.49Å; L298-M300 VanDerWaalsContact C-N 3.35Å; L298-M300 HydrophobicContact CB-CE 3.48Å; L298-M300 VanDerWaalsContact CB-CE 3.48Å; L298-M300 HydrophobicContact CD1-CE 3.77Å; L298-M300 HydrophobicContact CG-CE 4.24Å; L298-M300 PolarHBondContact O-N 2.99Å; M300-C302 PolarHBondContact O-N 3.19Å |
| 301 | P | 98.5 | Very high | 97.2 | Very high | 30 Ų | 30 | 26 Ų | 26 | 20% | 0.195 | 13% | 0.134 | C | C | . | . | trans | -49.8 | 122.9 | 166.9 | -24.9 | 34.1 | 0 | 0 | 0 | 110.3 | L128 K134 Y171 H262 A263 I264 | L128-P301 HydrophobicContact CB-CB 4.34Å; L128-P301 HydrophobicContact CD2-CB 4.07Å; K134-P301 WeakPolarHBondContact O-CA 3.31Å; Y171-P301 HydrophobicContact CE1-CG 3.87Å; Y171-P301 HydrophobicContact CE2-CB 4.3Å; Y171-P301 HydrophobicContact CE2-CG 4.42Å; Y171-P301 WeakPolarHBondContact OH-CG 3.35Å; H262-P301 WeakPolarHBondContact O-CD 3.5Å; A263-P301 CarbonylContact C-O 3.53Å; A263-P301 WeakPolarHBondContact CA-O 3.49Å; A263-P301 HydrophobicContact CB-CB 4.12Å; I264-P301 PolarHBondContact N-O 2.77Å | ||
| 302 | C | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.5 | -170.3 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | K134 V135 S136 I264 L296 M300 | K134-C302 PolarHBondContact O-N 3Å; V135-C302 CarbonylContact C-O 3.59Å; V135-C302 VanDerWaalsContact CA-O 3.24Å; V135-C302 WeakPolarHBondContact CA-O 3.38Å; V135-C302 HydrophobicContact CG2-CB 4.41Å; S136-C302 PolarHBondContact N-O 3.39Å; I264-C302 CarbonylContact O-C 3.37Å; I264-C302 WeakPolarHBondContact O-CA 3.35Å; L296-C302 HydrophobicContact CD2-CB 4.05Å; M300-C302 PolarHBondContact O-N 3.19Å |
| 303 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.6 | 171 | 172.9 | 57.9 | 0 | 0 | 0 | 109 | C124 A125 L128 S136 S163 I264 V265 V266 L305 | C124-L303 HydrophobicContact CB-CD1 3.38Å; A125-L303 HydrophobicContact CB-CD2 4.49Å; L128-L303 HydrophobicContact CD1-CB 3.84Å; S136-L303 CarbonylContact O-C 3.6Å; S136-L303 WeakPolarHBondContact O-CA 3.41Å; S163-L303 VanDerWaalsContact CB-CD2 3.44Å; S163-L303 WeakPolarHBondContact OG-CD2 3.4Å; I264-L303 PolarHBondContact O-N 3.38Å; V265-L303 CarbonylContact C-O 3.38Å; V265-L303 WeakPolarHBondContact CA-O 3.16Å; V265-L303 HydrophobicContact CG1-CB 4.4Å; V265-L303 HydrophobicContact CG1-CD2 4.13Å; V265-L303 HydrophobicContact CG1-CG 4.26Å; V265-L303 HydrophobicContact CG2-CB 4.17Å; V265-L303 HydrophobicContact CG2-CD2 4.21Å; V266-L303 PolarHBondContact N-O 3Å; L303-L305 HydrophobicContact CD1-CD2 3.94Å; L303-L305 HydrophobicContact CD2-CD1 4.42Å; L303-L305 HydrophobicContact CD2-CD2 4.11Å; L303-L305 HydrophobicContact CD2-CG 4.31Å; L303-L305 HydrophobicContact CG-CD2 3.94Å; L303-L305 HydrophobicContact CG-CG 4.04Å |
| 304 | L | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.9 | 174.8 | -51.3 | -176.8 | 0 | 0 | 0 | 109.7 | V135 S136 I137 N138 V266 L268 L292 A326 | V135-L304 HydrophobicContact CG1-CD1 3.86Å; V135-L304 HydrophobicContact CG1-CG 3.95Å; S136-L304 PolarHBondContact O-N 2.93Å; I137-L304 CarbonylContact C-O 3.58Å; I137-L304 WeakPolarHBondContact CA-O 3.34Å; I137-L304 HydrophobicContact CD1-CD1 4.14Å; I137-L304 HydrophobicContact CG1-CB 4.16Å; I137-L304 HydrophobicContact CG1-CD1 4.06Å; I137-L304 HydrophobicContact CG1-CG 4.34Å; I137-L304 HydrophobicContact CG2-CB 4.3Å; N138-L304 PolarHBondContact N-O 3.42Å; V266-L304 HydrophobicContact CB-CD2 3.89Å; V266-L304 HydrophobicContact CG2-CD2 3.92Å; L268-L304 HydrophobicContact CD1-CB 4.21Å; L268-L304 HydrophobicContact CD1-CD2 4.29Å; L292-L304 HydrophobicContact CD1-CD1 3.69Å; L292-L304 HydrophobicContact CD1-CD2 3.56Å; L292-L304 HydrophobicContact CD1-CG 4.3Å; L292-L304 HydrophobicContact CD2-CD1 4.17Å; L304-A326 HydrophobicContact CD1-CB 4.5Å |
| 305 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 157.9 | 179.5 | -61.7 | 178.9 | 0 | 0 | 0 | 111.1 | S121 N138 C160 V265 V266 L268 L303 W319 | S121-L305 WeakPolarHBondContact OG-CD2 3.42Å; N138-L305 HydrophobicContact CB-CD2 4.07Å; N138-L305 WeakPolarHBondContact O-CA 3.47Å; C160-L305 HydrophobicContact CB-CD1 4.31Å; V265-L305 HydrophobicContact CG1-CD1 3.8Å; V265-L305 HydrophobicContact CG1-CG 4.33Å; V266-L305 PolarHBondContact O-N 2.82Å; L268-L305 WeakPolarHBondContact CB-O 3.22Å; L268-L305 PolarHBondContact N-O 3.05Å; L303-L305 HydrophobicContact CD1-CD2 3.94Å; L303-L305 HydrophobicContact CD2-CD1 4.42Å; L303-L305 HydrophobicContact CD2-CD2 4.11Å; L303-L305 HydrophobicContact CD2-CG 4.31Å; L303-L305 HydrophobicContact CG-CD2 3.94Å; L303-L305 HydrophobicContact CG-CG 4.04Å; L305-W319 VanDerWaalsContact O-CH2 3.24Å; L305-W319 WeakPolarHBondContact O-CH2 3.29Å; L305-W319 WeakPolarHBondContact O-CZ2 3.36Å |
| 306 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -64.7 | -137.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N138 L139 G141 Q267 L268 G269 W319 | N138-G306 PolarHBondContact O-N 3.34Å; N138-G306 VanDerWaalsContact O-N 3.1Å; L139-G306 VanDerWaalsContact O-CA 3.28Å; L139-G306 WeakPolarHBondContact O-CA 3.41Å; G141-G306 CarbonylContact O-C 3.51Å; G141-G306 WeakPolarHBondContact O-CA 3.49Å; G141-G306 PolarHBondContact O-N 2.93Å; Q267-G306 WeakPolarHBondContact CG-O 3.42Å; L268-G306 CarbonylContact C-O 3.57Å; L268-G306 PolarHBondContact N-O 3.34Å; L268-G306 VanDerWaalsContact N-O 3.13Å; G269-G306 PolarHBondContact N-O 3.49Å; G306-W319 VanDerWaalsContact CA-CZ2 3.49Å | ||
| 307 | G | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | 144 | -150.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R33 G141 | R33-G307 PolarHBondContact NH1-O 3.41Å; R33-G307 PolarHBondContact NH2-O 3.45Å; G141-G307 PolarHBondContact O-N 3.24Å | ||
| 308 | G | 96.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | trans | -60.1 | 168.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D180 G269 V270 D271 | D180-G308 WeakPolarHBondContact OD2-CA 3.5Å; D180-G308 PolarHBondContact OD2-N 2.98Å; G269-G308 WeakPolarHBondContact CA-O 3.22Å; V270-G308 PolarHBondContact N-O 2.99Å; D271-G308 WeakPolarHBondContact OD2-CA 3.29Å | ||
| 309 | G | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | trans | 133.9 | 96.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R33 | R33-G309 PolarHBondContact NH1-O 2.98Š| ||
| 310 | Y | 97.1 | Very high | 98 | Very high | 35 Ų | 35 | 11.4 Ų | 11.4 | 14% | 0.137 | 6% | 0.059 | C | C | . | . | trans | -108.8 | 1.6 | -162.8 | -50.9 | -81.3 | 0 | 0 | 0 | 112.6 | F154 D271 D276 N278 P312 | F154-Y310 HydrophobicContact CD2-CE1 4.16Å; F154-Y310 HydrophobicContact CE2-CE1 4.11Å; D271-Y310 HydrophobicContact CB-CD2 3.92Å; D271-Y310 HydrophobicContact CB-CE2 3.83Å; D271-Y310 WeakPolarHBondContact OD2-CE2 3.39Å; D276-Y310 PolarHBondContact OD2-N 3.33Å; N278-Y310 VanDerWaalsContact ND2-CD2 3.34Å; N278-Y310 WeakPolarHBondContact ND2-CD2 3.35Å; N278-Y310 WeakPolarHBondContact ND2-CE2 3.42Å; Y310-P312 WeakPolarHBondContact O-CD 3.24Å | ||
| 311 | Q | 97.1 | Very high | 98.2 | Very high | 75 Ų | 75 | 12.3 Ų | 12.3 | 35% | 0.35 | 6% | 0.063 | S | C | . | . | trans | -99.7 | 98.9 | 162.8 | 178.7 | 57.4 | -39.6 | 0 | 0 | 110.7 | D276 V313 N314 F315 | D276-Q311 PolarHBondContact OD2-N 2.93Å; Q311-V313 VanDerWaalsContact C-N 3.33Å; Q311-V313 PolarHBondContact O-N 2.89Å; Q311-N314 HydrophobicContact CB-CB 4.2Å; Q311-N314 HydrophobicContact CG-CB 3.85Å; Q311-N314 PolarHBondContact O-N 3.44Å; Q311-N314 VanDerWaalsContact O-N 3.08Å; Q311-F315 PolarHBondContact O-N 2.94Å | ||
| 312 | P | 97.2 | Very high | 98.2 | Very high | 10 Ų | 10 | 11 Ų | 11 | 7% | 0.065 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.2 | -38.9 | -168.1 | -28.6 | 36.1 | 0 | 0 | 0 | 115 | K31 R33 M36 Y310 F315 A316 | K31-P312 HydrophobicContact CB-CG 3.7Å; K31-P312 HydrophobicContact CD-CG 4.43Å; R33-P312 HydrophobicContact CB-CB 3.84Å; R33-P312 HydrophobicContact CB-CG 4.36Å; M36-P312 HydrophobicContact CE-CB 3.77Å; M36-P312 HydrophobicContact SD-CB 4.14Å; Y310-P312 WeakPolarHBondContact O-CD 3.24Å; P312-F315 PolarHBondContact O-N 2.9Å; P312-A316 WeakPolarHBondContact O-CB 3.49Å; P312-A316 PolarHBondContact O-N 3.38Å |
| 313 | V | 97.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 11.1 Ų | 11.1 | 13% | 0.127 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 179 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | M36 Q311 A316 K317 L343 Y344 | M36-V313 HydrophobicContact CE-CG2 4.43Å; M36-V313 HydrophobicContact SD-CB 4.5Å; M36-V313 HydrophobicContact SD-CG2 4Å; Q311-V313 VanDerWaalsContact C-N 3.33Å; Q311-V313 PolarHBondContact O-N 2.89Å; V313-A316 PolarHBondContact O-N 3.39Å; V313-K317 HydrophobicContact CG1-CD 4.24Å; V313-K317 WeakPolarHBondContact O-CB 3.29Å; V313-K317 VanDerWaalsContact O-CG 3.31Å; V313-K317 WeakPolarHBondContact O-CG 3.07Å; V313-K317 PolarHBondContact O-N 2.84Å; V313-L343 HydrophobicContact CG2-CB 4.15Å; V313-L343 WeakPolarHBondContact CG2-O 3.47Å; V313-Y344 HydrophobicContact CG1-CD1 3.69Å; V313-Y344 HydrophobicContact CG1-CE1 3.94Å; V313-Y344 HydrophobicContact CG1-CG 4.39Å |
| 314 | N | 98 | Very high | 98.1 | Very high | 22 Ų | 22 | 11.3 Ų | 11.3 | 12% | 0.118 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.3 | -38 | 179.2 | -71.3 | 4.3 | 0 | 0 | 0 | 111.1 | L273 T274 Q311 K317 C318 I352 | L273-N314 HydrophobicContact CD1-CB 4.14Å; T274-N314 PolarHBondContact O-ND2 3.3Å; Q311-N314 HydrophobicContact CB-CB 4.2Å; Q311-N314 HydrophobicContact CG-CB 3.85Å; Q311-N314 PolarHBondContact O-N 3.44Å; Q311-N314 VanDerWaalsContact O-N 3.08Å; N314-K317 PolarHBondContact O-N 3.26Å; N314-C318 VanDerWaalsContact O-CB 3.29Å; N314-C318 WeakPolarHBondContact O-CB 3.41Å; N314-C318 PolarHBondContact O-N 2.88Å; N314-I352 HydrophobicContact CB-CD1 3.73Å |
| 315 | F | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 172.1 | -174.7 | -80.9 | 0 | 0 | 0 | 110.9 | R33 T37 L139 V270 Q311 P312 C318 W319 | R33-F315 HydrophobicContact CB-CD1 4.21Å; R33-F315 HydrophobicContact CB-CG 4.46Å; R33-F315 HydrophobicContact CG-CD1 4.1Å; R33-F315 HydrophobicContact CG-CE1 4.24Å; R33-F315 HydrophobicContact CG-CG 4.42Å; T37-F315 HydrophobicContact CG2-CE1 4.43Å; T37-F315 VanDerWaalsContact OG1-CD1 3.3Å; T37-F315 WeakPolarHBondContact OG1-CD1 3.41Å; L139-F315 HydrophobicContact CD1-CE1 4.13Å; L139-F315 HydrophobicContact CD1-CZ 4.47Å; V270-F315 HydrophobicContact CG2-CB 4.19Å; V270-F315 HydrophobicContact CG2-CD2 3.29Å; V270-F315 HydrophobicContact CG2-CE2 3.89Å; V270-F315 HydrophobicContact CG2-CG 3.98Å; Q311-F315 PolarHBondContact O-N 2.94Å; P312-F315 PolarHBondContact O-N 2.9Å; F315-C318 PolarHBondContact O-N 2.88Å; F315-W319 AromaticContact CD1-CD1 3.84Å; F315-W319 AromaticContact CE1-CD1 3.45Å; F315-W319 VanDerWaalsContact CE1-CD1 3.45Å; F315-W319 HydrophobicContact CE1-CG 4.05Å; F315-W319 AromaticContact CE1-NE1 4Å; F315-W319 AromaticContact CE2-CD1 3.66Å; F315-W319 AromaticContact CE2-NE1 3.58Å; F315-W319 AromaticContact CZ-CD1 3.35Å; F315-W319 HydrophobicContact CZ-CG 4.21Å; F315-W319 AromaticContact CZ-NE1 3.4Å; F315-W319 WeakPolarHBondContact O-CB 3.4Å; F315-W319 PolarHBondContact O-N 3.21Å |
| 316 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M36 T37 L40 P312 V313 C318 W319 A320 Y344 | M36-A316 HydrophobicContact CG-CB 3.9Å; M36-A316 HydrophobicContact SD-CB 4.05Å; T37-A316 WeakPolarHBondContact OG1-CA 3.49Å; L40-A316 HydrophobicContact CD2-CB 4.09Å; P312-A316 WeakPolarHBondContact O-CB 3.49Å; P312-A316 PolarHBondContact O-N 3.38Å; V313-A316 PolarHBondContact O-N 3.39Å; A316-C318 VanDerWaalsContact C-N 3.32Å; A316-C318 PolarHBondContact O-N 3.46Å; A316-W319 PolarHBondContact O-N 3.36Å; A316-A320 WeakPolarHBondContact O-CB 2.98Å; A316-A320 PolarHBondContact O-N 3.43Å; A316-Y344 WeakPolarHBondContact CB-OH 3.43Å |
| 317 | K | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 4% | 0.043 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 176.5 | -73 | -179.8 | -178.8 | -166.6 | 0 | 111.6 | V313 N314 Q321 I335 Y344 D347 V349 L350 I352 | V313-K317 HydrophobicContact CG1-CD 4.24Å; V313-K317 WeakPolarHBondContact O-CB 3.29Å; V313-K317 VanDerWaalsContact O-CG 3.31Å; V313-K317 WeakPolarHBondContact O-CG 3.07Å; V313-K317 PolarHBondContact O-N 2.84Å; N314-K317 PolarHBondContact O-N 3.26Å; K317-Q321 WeakPolarHBondContact O-CG 3.21Å; K317-Q321 PolarHBondContact O-N 2.85Å; K317-Q321 PolarHBondContact O-NE2 3.43Å; K317-I335 HydrophobicContact CG-CD1 4.41Å; K317-Y344 HydrophobicContact CG-CD1 4.23Å; K317-Y344 HydrophobicContact CG-CE1 4Å; K317-D347 IonicContact NZ-OD1 2.8Å; K317-V349 WeakPolarHBondContact CE-O 3.4Å; K317-V349 PolarHBondContact NZ-O 3.1Å; K317-L350 HydrophobicContact CB-CD1 4.04Å; K317-L350 HydrophobicContact CG-CD1 4.18Å; K317-I352 HydrophobicContact CB-CD1 4.14Å; K317-I352 HydrophobicContact CB-CG1 4.39Å; K317-I352 HydrophobicContact CD-CD1 4.35Å; K317-I352 HydrophobicContact CD-CG1 3.93Å |
| 318 | C | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71.7 | -46.6 | -178.2 | -167.3 | 0 | 0 | 0 | 0 | 112 | V270 L273 P285 N314 F315 A316 A320 Q321 L322 | V270-C318 HydrophobicContact CG1-CB 4.25Å; L273-C318 HydrophobicContact CD1-CB 3.64Å; P285-C318 HydrophobicContact CB-CB 4.35Å; P285-C318 HydrophobicContact CG-CB 4.05Å; N314-C318 VanDerWaalsContact O-CB 3.29Å; N314-C318 WeakPolarHBondContact O-CB 3.41Å; N314-C318 PolarHBondContact O-N 2.88Å; F315-C318 PolarHBondContact O-N 2.88Å; A316-C318 VanDerWaalsContact C-N 3.32Å; A316-C318 PolarHBondContact O-N 3.46Å; C318-A320 VanDerWaalsContact C-N 3.34Å; C318-A320 PolarHBondContact O-N 2.8Å; C318-Q321 WeakPolarHBondContact O-CB 3.21Å; C318-Q321 PolarHBondContact O-N 3.48Å; C318-Q321 VanDerWaalsContact O-N 3.11Å; C318-L322 WeakPolarHBondContact O-CG 3.42Å; C318-L322 PolarHBondContact O-N 3.19Å |
| 319 | W | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.3 | -33.5 | 179.5 | -91.9 | 94.4 | 0 | 0 | 0 | 113.2 | T37 M41 I137 L139 L268 L305 G306 F315 A316 Q321 L322 L323 | T37-W319 HydrophobicContact CG2-CB 3.6Å; T37-W319 HydrophobicContact CG2-CG 4.48Å; M41-W319 VanDerWaalsContact CE-C 3.42Å; M41-W319 HydrophobicContact CE-CB 3.85Å; M41-W319 HydrophobicContact CE-CE3 4.39Å; M41-W319 WeakPolarHBondContact CE-O 3.33Å; I137-W319 HydrophobicContact CG2-CZ3 3.84Å; L139-W319 HydrophobicContact CB-CD2 3.78Å; L139-W319 HydrophobicContact CB-CE3 3.56Å; L139-W319 HydrophobicContact CB-CH2 3.9Å; L139-W319 HydrophobicContact CB-CZ2 4.13Å; L139-W319 HydrophobicContact CB-CZ3 3.61Å; L139-W319 HydrophobicContact CD2-CE3 4.4Å; L268-W319 HydrophobicContact CB-CH2 4.06Å; L268-W319 HydrophobicContact CB-CZ2 3.62Å; L268-W319 HydrophobicContact CD1-CH2 4Å; L268-W319 HydrophobicContact CD1-CZ2 4.39Å; L268-W319 PolarHBondContact O-NE1 3.1Å; L305-W319 VanDerWaalsContact O-CH2 3.24Å; L305-W319 WeakPolarHBondContact O-CH2 3.29Å; L305-W319 WeakPolarHBondContact O-CZ2 3.36Å; G306-W319 VanDerWaalsContact CA-CZ2 3.49Å; F315-W319 AromaticContact CD1-CD1 3.84Å; F315-W319 AromaticContact CE1-CD1 3.45Å; F315-W319 VanDerWaalsContact CE1-CD1 3.45Å; F315-W319 HydrophobicContact CE1-CG 4.05Å; F315-W319 AromaticContact CE1-NE1 4Å; F315-W319 AromaticContact CE2-CD1 3.66Å; F315-W319 AromaticContact CE2-NE1 3.58Å; F315-W319 AromaticContact CZ-CD1 3.35Å; F315-W319 HydrophobicContact CZ-CG 4.21Å; F315-W319 AromaticContact CZ-NE1 3.4Å; F315-W319 WeakPolarHBondContact O-CB 3.4Å; F315-W319 PolarHBondContact O-N 3.21Å; A316-W319 PolarHBondContact O-N 3.36Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; W319-L322 HydrophobicContact CD2-CD1 4.09Å; W319-L322 HydrophobicContact CE3-CB 4.46Å; W319-L322 HydrophobicContact CE3-CD1 4.4Å; W319-L322 HydrophobicContact CG-CD1 4.34Å; W319-L322 PolarHBondContact O-N 3.07Å; W319-L323 PolarHBondContact O-N 2.63Å |
| 320 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L40 M41 Y44 L46 A316 C318 S324 L331 | L40-A320 HydrophobicContact CD2-CB 3.86Å; L40-A320 HydrophobicContact CG-CB 4.23Å; M41-A320 HydrophobicContact CG-CB 4.37Å; Y44-A320 HydrophobicContact CD2-CB 4.48Å; L46-A320 WeakPolarHBondContact CD1-O 3.42Å; A316-A320 WeakPolarHBondContact O-CB 2.98Å; A316-A320 PolarHBondContact O-N 3.43Å; C318-A320 VanDerWaalsContact C-N 3.34Å; C318-A320 PolarHBondContact O-N 2.8Å; A320-S324 WeakPolarHBondContact O-CB 3.32Å; A320-S324 PolarHBondContact O-N 3.37Å; A320-L331 HydrophobicContact CB-CD1 4.36Å |
| 321 | Q | 98.6 | Very high | 97.4 | Very high | 43 Ų | 43 | 26 Ų | 26 | 20% | 0.201 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 175.9 | -71.8 | 175 | 82.6 | 0 | 0 | 112.8 | K317 C318 W319 S324 T325 L331 L350 | K317-Q321 WeakPolarHBondContact O-CG 3.21Å; K317-Q321 PolarHBondContact O-N 2.85Å; K317-Q321 PolarHBondContact O-NE2 3.43Å; C318-Q321 WeakPolarHBondContact O-CB 3.21Å; C318-Q321 PolarHBondContact O-N 3.48Å; C318-Q321 VanDerWaalsContact O-N 3.11Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; Q321-S324 WeakPolarHBondContact O-CB 3.24Å; Q321-S324 PolarHBondContact O-N 2.76Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 2.99Å; Q321-T325 PolarHBondContact O-OG1 3.02Å; Q321-L331 HydrophobicContact CG-CD1 4.3Å; Q321-L350 HydrophobicContact CG-CD1 4.2Å; Q321-L350 HydrophobicContact CG-CD2 3.6Å; Q321-L350 HydrophobicContact CG-CG 3.89Å; Q321-L350 PolarHBondContact NE2-O 3.25Å |
| 322 | L | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 174.9 | -75.8 | 166.6 | 0 | 0 | 0 | 111.5 | L268 V270 L292 C318 W319 S324 T325 A326 | L268-L322 HydrophobicContact CB-CD1 4.33Å; L268-L322 HydrophobicContact CD1-CD1 4.25Å; L268-L322 HydrophobicContact CD1-CD2 4.3Å; L268-L322 HydrophobicContact CD2-CD2 4.33Å; V270-L322 HydrophobicContact CG1-CD1 4.35Å; L292-L322 HydrophobicContact CB-CD2 4.09Å; L292-L322 HydrophobicContact CD2-CB 4.28Å; L292-L322 HydrophobicContact CD2-CD2 3.72Å; L292-L322 WeakPolarHBondContact CD2-O 3.22Å; C318-L322 WeakPolarHBondContact O-CG 3.42Å; C318-L322 PolarHBondContact O-N 3.19Å; W319-L322 HydrophobicContact CD2-CD1 4.09Å; W319-L322 HydrophobicContact CE3-CB 4.46Å; W319-L322 HydrophobicContact CE3-CD1 4.4Å; W319-L322 HydrophobicContact CG-CD1 4.34Å; W319-L322 PolarHBondContact O-N 3.07Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 2.84Å; L322-T325 WeakPolarHBondContact O-CB 3.28Å; L322-T325 PolarHBondContact O-N 3.36Å; L322-A326 PolarHBondContact O-N 3.26Å |
| 323 | L | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 175.5 | 179 | 59.3 | 0 | 0 | 0 | 111.2 | L14 M41 L46 V50 I137 W319 T325 A326 V327 | L14-L323 HydrophobicContact CD2-CD2 4.25Å; M41-L323 HydrophobicContact CB-CD2 4.32Å; M41-L323 HydrophobicContact CE-CB 3.88Å; M41-L323 HydrophobicContact CE-CD2 4.02Å; M41-L323 HydrophobicContact CG-CD2 4Å; M41-L323 HydrophobicContact SD-CD2 3.59Å; M41-L323 VanDerWaalsContact SD-CD2 3.59Å; L46-L323 HydrophobicContact CB-CD2 3.68Å; L46-L323 HydrophobicContact CB-CG 4.19Å; L46-L323 HydrophobicContact CD1-CB 4.16Å; L46-L323 HydrophobicContact CD1-CD2 4.02Å; L46-L323 HydrophobicContact CD1-CG 4.12Å; L46-L323 HydrophobicContact CG-CD2 4.46Å; V50-L323 HydrophobicContact CG1-CD1 3.82Å; I137-L323 HydrophobicContact CD1-CD1 3.73Å; W319-L323 PolarHBondContact O-N 2.63Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.87Å; L323-A326 PolarHBondContact O-N 3.35Å; L323-V327 HydrophobicContact CD1-CG1 4.21Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.28Å |
| 324 | S | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 175.2 | -159.9 | 0 | 0 | 0 | 0 | 112.5 | A320 Q321 L322 V327 G328 K329 L331 | A320-S324 WeakPolarHBondContact O-CB 3.32Å; A320-S324 PolarHBondContact O-N 3.37Å; Q321-S324 WeakPolarHBondContact O-CB 3.24Å; Q321-S324 PolarHBondContact O-N 2.76Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 2.84Å; S324-V327 PolarHBondContact O-N 2.95Å; S324-G328 PolarHBondContact O-N 3.48Å; S324-K329 PolarHBondContact O-N 3.21Å; S324-K329 PolarHBondContact OG-O 3.47Å; S324-L331 WeakPolarHBondContact OG-CG 3.36Å |
| 325 | T | 97.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 175.8 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | T4 C289 L292 Q293 Q321 L322 L323 V327 G328 | T4-T325 PolarHBondContact OG1-O 3.09Å; C289-T325 HydrophobicContact CB-CG2 4.42Å; L292-T325 HydrophobicContact CD2-CG2 4.32Å; L292-T325 HydrophobicContact CG-CG2 4.48Å; Q293-T325 HydrophobicContact CB-CG2 4.33Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 2.99Å; Q321-T325 PolarHBondContact O-OG1 3.02Å; L322-T325 WeakPolarHBondContact O-CB 3.28Å; L322-T325 PolarHBondContact O-N 3.36Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.87Å; T325-V327 VanDerWaalsContact C-N 3.29Å; T325-V327 PolarHBondContact O-N 2.83Å; T325-G328 PolarHBondContact O-N 3.11Å |
| 326 | A | 96.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 L292 L296 L304 L322 L323 | L7-A326 WeakPolarHBondContact CD1-O 3.45Å; L292-A326 HydrophobicContact CD2-CB 4.31Å; L296-A326 HydrophobicContact CD1-CB 4.24Å; L304-A326 HydrophobicContact CD1-CB 4.5Å; L322-A326 PolarHBondContact O-N 3.26Å; L323-A326 PolarHBondContact O-N 3.35Å |
| 327 | V | 96 | Very high | 97.4 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.9 | -178.3 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | V12 L46 H49 V50 L323 S324 T325 K329 | V12-V327 HydrophobicContact CB-CG1 4.38Å; V12-V327 HydrophobicContact CG1-CG1 4.28Å; V12-V327 HydrophobicContact CG2-CG1 4.28Å; L46-V327 HydrophobicContact CD2-CG2 4.23Å; H49-V327 HydrophobicContact CB-CB 4.09Å; H49-V327 HydrophobicContact CB-CG1 4.34Å; H49-V327 HydrophobicContact CB-CG2 4.01Å; V50-V327 HydrophobicContact CG1-CG1 3.54Å; L323-V327 HydrophobicContact CD1-CG1 4.21Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.28Å; S324-V327 PolarHBondContact O-N 2.95Å; T325-V327 VanDerWaalsContact C-N 3.29Å; T325-V327 PolarHBondContact O-N 2.83Å; V327-K329 VanDerWaalsContact C-N 3.34Å; V327-K329 HydrophobicContact CG2-CB 4.11Å; V327-K329 HydrophobicContact CG2-CG 3.76Å; V327-K329 PolarHBondContact O-N 3.35Å |
| 328 | G | 94.8 | Very high | 97.4 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S324 T325 | S324-G328 PolarHBondContact O-N 3.48Å; T325-G328 PolarHBondContact O-N 3.11Å |
| 329 | K | 95 | Very high | 97.4 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -106.9 | 150 | 176.3 | -64.1 | -66.6 | 169.6 | -173.9 | 0 | 110.8 | L46 H49 S324 V327 | L46-K329 HydrophobicContact CD2-CB 4.38Å; H49-K329 VanDerWaalsContact CE1-CE 3.42Å; H49-K329 WeakPolarHBondContact CE1-CE 3.4Å; S324-K329 PolarHBondContact O-N 3.21Å; S324-K329 PolarHBondContact OG-O 3.47Å; V327-K329 VanDerWaalsContact C-N 3.34Å; V327-K329 HydrophobicContact CG2-CB 4.11Å; V327-K329 HydrophobicContact CG2-CG 3.76Å; V327-K329 PolarHBondContact O-N 3.35Å | ||
| 330 | S | 94.3 | Very high | 97.3 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 87% | 0.867 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 133.1 | 171.3 | -59.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 331 | L | 96.8 | Very high | 97.3 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 146.3 | 172.3 | -58 | -177.9 | 0 | 0 | 0 | 109.1 | Y44 L46 A320 Q321 S324 L350 | Y44-L331 HydrophobicContact CD1-CB 4.27Å; Y44-L331 HydrophobicContact CD1-CD2 3.79Å; Y44-L331 HydrophobicContact CD1-CG 4.42Å; Y44-L331 HydrophobicContact CD2-CD1 4.3Å; Y44-L331 HydrophobicContact CE1-CB 4.09Å; Y44-L331 HydrophobicContact CE1-CD2 4.44Å; Y44-L331 HydrophobicContact CE2-CD1 4.4Å; Y44-L331 HydrophobicContact CG-CD1 4.4Å; Y44-L331 HydrophobicContact CG-CD2 3.84Å; L46-L331 HydrophobicContact CD1-CD2 4.32Å; L46-L331 HydrophobicContact CD2-CD2 3.97Å; L46-L331 HydrophobicContact CG-CD2 4.27Å; A320-L331 HydrophobicContact CB-CD1 4.36Å; Q321-L331 HydrophobicContact CG-CD1 4.3Å; S324-L331 WeakPolarHBondContact OG-CG 3.36Å; L331-L350 HydrophobicContact CB-CD2 3.71Å; L331-L350 HydrophobicContact CD1-CD2 3.6Å; L331-L350 HydrophobicContact CG-CD2 4.28Å |
| 332 | V | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 59 Ų | 59 | 61% | 0.606 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -72 | 151.9 | 164.4 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | Y44 | Y44-V332 HydrophobicContact CE1-CG2 3.92Å; Y44-V332 PolarHBondContact OH-O 3.19Å |
| 333 | E | 97.7 | Very high | 97.2 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -66.9 | -38.8 | -178.7 | 180 | 163.7 | -140.2 | 0 | 0 | 111.8 | I335 V349 L350 T351 | E333-I335 PolarHBondContact O-N 2.91Å; E333-V349 HydrophobicContact CG-CB 3.76Å; E333-V349 HydrophobicContact CG-CG1 3.87Å; E333-V349 CarbonylContact O-C 3.51Å; E333-V349 WeakPolarHBondContact O-CA 3.43Å; E333-L350 WeakPolarHBondContact O-CB 3.42Å; E333-L350 PolarHBondContact O-N 3.1Å; E333-T351 PolarHBondContact OE1-OG1 3.09Å |
| 334 | D | 98.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 63.5 Ų | 63.5 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -64 | 132.9 | 178.8 | -60.9 | -30.9 | 0 | 0 | 0 | 110.9 | Y44 P336 | Y44-D334 PolarHBondContact OH-O 3.08Å; D334-P336 WeakPolarHBondContact O-CD 3.34Å |
| 335 | I | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 122.2 | 171.7 | -62.9 | -72.5 | 0 | 0 | 0 | 107.8 | L40 Y44 K317 E333 F341 Y344 F348 L350 | L40-I335 HydrophobicContact CD1-CD1 4Å; L40-I335 HydrophobicContact CD1-CG2 3.8Å; L40-I335 HydrophobicContact CD2-CD1 4.43Å; Y44-I335 HydrophobicContact CE2-CD1 4.45Å; K317-I335 HydrophobicContact CG-CD1 4.41Å; E333-I335 PolarHBondContact O-N 2.91Å; I335-F341 HydrophobicContact CB-CE2 4.44Å; I335-F341 HydrophobicContact CG2-CD2 4.01Å; I335-F341 HydrophobicContact CG2-CE2 4.36Å; I335-F341 VanDerWaalsContact O-CE2 3.27Å; I335-F341 WeakPolarHBondContact O-CE2 3.43Å; I335-Y344 HydrophobicContact CD1-CD1 3.79Å; I335-Y344 HydrophobicContact CD1-CE1 4.03Å; I335-Y344 HydrophobicContact CD1-CG 4.47Å; I335-Y344 HydrophobicContact CG1-CD1 3.92Å; I335-Y344 HydrophobicContact CG1-CG 4.16Å; I335-Y344 HydrophobicContact CG2-CD1 4.21Å; I335-Y344 HydrophobicContact CG2-CD2 4.04Å; I335-Y344 HydrophobicContact CG2-CE2 4.39Å; I335-Y344 HydrophobicContact CG2-CG 3.95Å; I335-F348 WeakPolarHBondContact CB-O 3.42Å; I335-F348 WeakPolarHBondContact CG1-O 3.08Å; I335-F348 PolarHBondContact N-O 2.88Å; I335-L350 HydrophobicContact CD1-CB 4.24Å; I335-L350 HydrophobicContact CD1-CD1 4.01Å |
| 336 | P | 98.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 22% | 0.221 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -69 | 154.6 | 177.1 | 27.7 | -34.9 | 0 | 0 | 0 | 111.4 | A43 Y44 D334 H338 | A43-P336 HydrophobicContact CB-CB 4.08Å; A43-P336 HydrophobicContact CB-CG 3.56Å; Y44-P336 HydrophobicContact CD1-CG 4Å; Y44-P336 HydrophobicContact CD2-CG 4.15Å; Y44-P336 VanDerWaalsContact CE1-CD 3.49Å; Y44-P336 HydrophobicContact CE1-CG 4.06Å; Y44-P336 HydrophobicContact CE2-CG 4.22Å; Y44-P336 HydrophobicContact CG-CG 4.05Å; D334-P336 WeakPolarHBondContact O-CD 3.34Å; P336-H338 PolarHBondContact O-CD2 2.94Å; P336-H338 PolarHBondContact O-N 2.66Å |
| 337 | E | 97.8 | Very high | 97 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 81% | 0.813 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 132.1 | 175 | -72.5 | -172 | -178.6 | 0 | 0 | 111.8 | ||
| 338 | H | 98.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 76.1 Ų | 76.1 | 11% | 0.106 | 44% | 0.436 | C | S | . | . | trans | -162.1 | 169.9 | 175.7 | 78.7 | 104.7 | 0 | 0 | 0 | 110.3 | S39 A43 P336 F340 F341 Y344 | S39-H338 PolarHBondContact OG-ND1 3.24Å; A43-H338 HydrophobicContact CB-CB 3.78Å; P336-H338 PolarHBondContact O-CD2 2.94Å; P336-H338 PolarHBondContact O-N 2.66Å; H338-F340 AromaticContact ND1-CD2 3.92Å; H338-F340 PolarHBondContact ND1-N 3.18Å; H338-F340 PolarHBondContact O-N 3.17Å; H338-F341 WeakPolarHBondContact O-CB 3.47Å; H338-F341 PolarHBondContact O-N 3.28Å; H338-Y344 AromaticContact CE1-CE2 3.65Å; H338-Y344 AromaticContact NE2-CD2 3.92Å; H338-Y344 AromaticContact NE2-CE2 3.07Å; H338-Y344 WeakPolarHBondContact NE2-CE2 3.07Å; H338-Y344 AromaticContact NE2-CZ 3.58Å | ||
| 339 | P | 98 | Very high | 97.3 | Very high | 114 Ų | 114 | 75.5 Ų | 75.5 | 74% | 0.74 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -24 | -176.1 | -32.8 | 35.5 | 0 | 0 | 0 | 117.5 | S39 | S39-P339 WeakPolarHBondContact OG-CD 3.23Š|
| 340 | F | 97.9 | Very high | 97.4 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.9 | 178.9 | -55.6 | -93.9 | 0 | 0 | 0 | 113.4 | M36 H338 P342 L343 Y344 | M36-F340 HydrophobicContact CB-CD1 4.24Å; M36-F340 HydrophobicContact CB-CD2 4.25Å; M36-F340 HydrophobicContact CB-CE1 4.49Å; M36-F340 HydrophobicContact CB-CG 4.11Å; M36-F340 HydrophobicContact CE-CD1 4.34Å; M36-F340 HydrophobicContact CG-CB 3.97Å; M36-F340 HydrophobicContact CG-CD1 4.44Å; M36-F340 HydrophobicContact CG-CD2 4.46Å; M36-F340 HydrophobicContact CG-CG 4.06Å; H338-F340 AromaticContact ND1-CD2 3.92Å; H338-F340 PolarHBondContact ND1-N 3.18Å; H338-F340 PolarHBondContact O-N 3.17Å; F340-P342 VanDerWaalsContact C-N 3.33Å; F340-P342 VanDerWaalsContact O-N 3.16Å; F340-L343 HydrophobicContact CB-CD1 4.23Å; F340-L343 HydrophobicContact CD1-CD1 4.02Å; F340-L343 WeakPolarHBondContact O-CB 3.18Å; F340-L343 PolarHBondContact O-N 3.37Å; F340-Y344 HydrophobicContact CB-CE2 4.33Å; F340-Y344 WeakPolarHBondContact O-CD2 3.02Å; F340-Y344 WeakPolarHBondContact O-CE2 3.48Å |
| 341 | F | 98.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 25% | 0.254 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -47.9 | -42.3 | -176.3 | 178.6 | -97.3 | 0 | 0 | 0 | 114.8 | I335 H338 L343 Y344 F348 | I335-F341 HydrophobicContact CB-CE2 4.44Å; I335-F341 HydrophobicContact CG2-CD2 4.01Å; I335-F341 HydrophobicContact CG2-CE2 4.36Å; I335-F341 VanDerWaalsContact O-CE2 3.27Å; I335-F341 WeakPolarHBondContact O-CE2 3.43Å; H338-F341 WeakPolarHBondContact O-CB 3.47Å; H338-F341 PolarHBondContact O-N 3.28Å; F341-L343 PolarHBondContact O-N 2.96Å; F341-Y344 WeakPolarHBondContact O-CD2 3.47Å; F341-Y344 PolarHBondContact O-N 3.31Å; F341-Y344 VanDerWaalsContact O-N 3.12Å; F341-F348 HydrophobicContact CD1-CD1 4.31Å; F341-F348 HydrophobicContact CD1-CE1 4.2Å; F341-F348 HydrophobicContact CD2-CD1 4.42Å; F341-F348 AromaticContact CE1-CD1 3.71Å; F341-F348 HydrophobicContact CE1-CD1 3.71Å; F341-F348 AromaticContact CE1-CE1 3.71Å; F341-F348 HydrophobicContact CE1-CE1 3.71Å; F341-F348 HydrophobicContact CE2-CB 4.34Å; F341-F348 AromaticContact CE2-CD1 3.82Å; F341-F348 HydrophobicContact CE2-CD1 3.82Å; F341-F348 HydrophobicContact CE2-CG 4.39Å; F341-F348 HydrophobicContact CZ-CB 4.26Å; F341-F348 AromaticContact CZ-CD1 3.42Å; F341-F348 HydrophobicContact CZ-CD1 3.42Å; F341-F348 VanDerWaalsContact CZ-CD1 3.42Å; F341-F348 AromaticContact CZ-CE1 3.94Å; F341-F348 HydrophobicContact CZ-CE1 3.94Å; F341-F348 AromaticContact CZ-CG 3.95Å; F341-F348 HydrophobicContact CZ-CG 3.95Å |
| 342 | P | 98 | Very high | 97.5 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -60.5 | -21.7 | 179.1 | -25.7 | 36.3 | 0 | 0 | 0 | 115 | F340 Y344 | F340-P342 VanDerWaalsContact C-N 3.33Å; F340-P342 VanDerWaalsContact O-N 3.16Å; P342-Y344 VanDerWaalsContact C-N 3.25Å; P342-Y344 PolarHBondContact O-N 3.49Å |
| 343 | L | 97.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 69 Ų | 69 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -75.5 | -13.7 | -179.5 | -60.8 | -178.7 | 0 | 0 | 0 | 113.3 | M36 V313 F340 F341 G345 | M36-L343 HydrophobicContact CE-CD1 3.46Å; M36-L343 VanDerWaalsContact CE-CD1 3.46Å; V313-L343 HydrophobicContact CG2-CB 4.15Å; V313-L343 WeakPolarHBondContact CG2-O 3.47Å; F340-L343 HydrophobicContact CB-CD1 4.23Å; F340-L343 HydrophobicContact CD1-CD1 4.02Å; F340-L343 WeakPolarHBondContact O-CB 3.18Å; F340-L343 PolarHBondContact O-N 3.37Å; F341-L343 PolarHBondContact O-N 2.96Å; L343-G345 VanDerWaalsContact C-N 3.31Å |
| 344 | Y | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -88.9 | 2.1 | 178.9 | -62.2 | -95.1 | 0 | 0 | 0 | 113 | M36 L40 V313 A316 K317 I335 H338 F340 F341 P342 D347 F348 | M36-Y344 HydrophobicContact CG-CE2 4.48Å; M36-Y344 WeakPolarHBondContact CG-OH 3.49Å; L40-Y344 HydrophobicContact CD1-CE1 4.49Å; L40-Y344 HydrophobicContact CD2-CE1 4.05Å; V313-Y344 HydrophobicContact CG1-CD1 3.69Å; V313-Y344 HydrophobicContact CG1-CE1 3.94Å; V313-Y344 HydrophobicContact CG1-CG 4.39Å; A316-Y344 WeakPolarHBondContact CB-OH 3.43Å; K317-Y344 HydrophobicContact CG-CD1 4.23Å; K317-Y344 HydrophobicContact CG-CE1 4Å; I335-Y344 HydrophobicContact CD1-CD1 3.79Å; I335-Y344 HydrophobicContact CD1-CE1 4.03Å; I335-Y344 HydrophobicContact CD1-CG 4.47Å; I335-Y344 HydrophobicContact CG1-CD1 3.92Å; I335-Y344 HydrophobicContact CG1-CG 4.16Å; I335-Y344 HydrophobicContact CG2-CD1 4.21Å; I335-Y344 HydrophobicContact CG2-CD2 4.04Å; I335-Y344 HydrophobicContact CG2-CE2 4.39Å; I335-Y344 HydrophobicContact CG2-CG 3.95Å; H338-Y344 AromaticContact CE1-CE2 3.65Å; H338-Y344 AromaticContact NE2-CD2 3.92Å; H338-Y344 AromaticContact NE2-CE2 3.07Å; H338-Y344 WeakPolarHBondContact NE2-CE2 3.07Å; H338-Y344 AromaticContact NE2-CZ 3.58Å; F340-Y344 HydrophobicContact CB-CE2 4.33Å; F340-Y344 WeakPolarHBondContact O-CD2 3.02Å; F340-Y344 WeakPolarHBondContact O-CE2 3.48Å; F341-Y344 WeakPolarHBondContact O-CD2 3.47Å; F341-Y344 PolarHBondContact O-N 3.31Å; F341-Y344 VanDerWaalsContact O-N 3.12Å; P342-Y344 VanDerWaalsContact C-N 3.25Å; P342-Y344 PolarHBondContact O-N 3.49Å; Y344-D347 VanDerWaalsContact O-OD1 3.07Å; Y344-F348 WeakPolarHBondContact O-CA 3.43Å; Y344-F348 PolarHBondContact O-N 2.99Å |
| 345 | G | 95.2 | Very high | 96.8 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 158.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L343 | L343-G345 VanDerWaalsContact C-N 3.31Š|
| 346 | P | 96 | Very high | 96.5 | Very high | 125 Ų | 125 | 67.6 Ų | 67.6 | 81% | 0.812 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.9 | -9.5 | 6.7 | 35 | -36.2 | 0 | 0 | 0 | 114.6 | F348 | P346-F348 VanDerWaalsContact O-CD2 3.31Å; P346-F348 WeakPolarHBondContact O-CD2 3.39Å; P346-F348 WeakPolarHBondContact O-CE2 3.34Å |
| 347 | D | 95.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -30.6 | -170.2 | 60.3 | 5 | 0 | 0 | 0 | 113.7 | K317 Y344 V349 | K317-D347 IonicContact NZ-OD1 2.8Å; Y344-D347 VanDerWaalsContact O-OD1 3.07Å; D347-V349 HydrophobicContact CB-CG2 4.03Å; D347-V349 PolarHBondContact O-N 3.21Å |
| 348 | F | 97.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 30% | 0.303 | 40% | 0.395 | S | S | . | . | trans | 56.5 | 30.9 | -179.3 | -51.3 | -84.3 | 0 | 0 | 0 | 113.7 | I335 F341 Y344 P346 | I335-F348 WeakPolarHBondContact CB-O 3.42Å; I335-F348 WeakPolarHBondContact CG1-O 3.08Å; I335-F348 PolarHBondContact N-O 2.88Å; F341-F348 HydrophobicContact CD1-CD1 4.31Å; F341-F348 HydrophobicContact CD1-CE1 4.2Å; F341-F348 HydrophobicContact CD2-CD1 4.42Å; F341-F348 AromaticContact CE1-CD1 3.71Å; F341-F348 HydrophobicContact CE1-CD1 3.71Å; F341-F348 AromaticContact CE1-CE1 3.71Å; F341-F348 HydrophobicContact CE1-CE1 3.71Å; F341-F348 HydrophobicContact CE2-CB 4.34Å; F341-F348 AromaticContact CE2-CD1 3.82Å; F341-F348 HydrophobicContact CE2-CD1 3.82Å; F341-F348 HydrophobicContact CE2-CG 4.39Å; F341-F348 HydrophobicContact CZ-CB 4.26Å; F341-F348 AromaticContact CZ-CD1 3.42Å; F341-F348 HydrophobicContact CZ-CD1 3.42Å; F341-F348 VanDerWaalsContact CZ-CD1 3.42Å; F341-F348 AromaticContact CZ-CE1 3.94Å; F341-F348 HydrophobicContact CZ-CE1 3.94Å; F341-F348 AromaticContact CZ-CG 3.95Å; F341-F348 HydrophobicContact CZ-CG 3.95Å; Y344-F348 WeakPolarHBondContact O-CA 3.43Å; Y344-F348 PolarHBondContact O-N 2.99Å; P346-F348 VanDerWaalsContact O-CD2 3.31Å; P346-F348 WeakPolarHBondContact O-CD2 3.39Å; P346-F348 WeakPolarHBondContact O-CE2 3.34Å | ||
| 349 | V | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 152.2 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | K317 E333 D347 T351 | K317-V349 WeakPolarHBondContact CE-O 3.4Å; K317-V349 PolarHBondContact NZ-O 3.1Å; E333-V349 HydrophobicContact CG-CB 3.76Å; E333-V349 HydrophobicContact CG-CG1 3.87Å; E333-V349 CarbonylContact O-C 3.51Å; E333-V349 WeakPolarHBondContact O-CA 3.43Å; D347-V349 HydrophobicContact CB-CG2 4.03Å; D347-V349 PolarHBondContact O-N 3.21Å; V349-T351 VanDerWaalsContact C-N 3.33Å |
| 350 | L | 98 | Very high | 96.2 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -72 | -27.8 | 178.2 | -171.1 | 64 | 0 | 0 | 0 | 113 | Y44 K317 Q321 L331 E333 I335 | Y44-L350 HydrophobicContact CE2-CD1 4.1Å; K317-L350 HydrophobicContact CB-CD1 4.04Å; K317-L350 HydrophobicContact CG-CD1 4.18Å; Q321-L350 HydrophobicContact CG-CD1 4.2Å; Q321-L350 HydrophobicContact CG-CD2 3.6Å; Q321-L350 HydrophobicContact CG-CG 3.89Å; Q321-L350 PolarHBondContact NE2-O 3.25Å; L331-L350 HydrophobicContact CB-CD2 3.71Å; L331-L350 HydrophobicContact CD1-CD2 3.6Å; L331-L350 HydrophobicContact CG-CD2 4.28Å; E333-L350 WeakPolarHBondContact O-CB 3.42Å; E333-L350 PolarHBondContact O-N 3.1Å; I335-L350 HydrophobicContact CD1-CB 4.24Å; I335-L350 HydrophobicContact CD1-CD1 4.01Å |
| 351 | T | 97 | Very high | 96.2 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | trans | -62.2 | 136.9 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 111 | E333 V349 | E333-T351 PolarHBondContact OE1-OG1 3.09Å; V349-T351 VanDerWaalsContact C-N 3.33Å | ||
| 352 | I | 96.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | trans | -111.6 | 116.2 | 169.4 | -55.3 | 179.6 | 0 | 0 | 0 | 107 | L273 T274 T284 P285 N314 K317 | L273-I352 HydrophobicContact CD1-CD1 4.23Å; T274-I352 HydrophobicContact CG2-CG2 3.46Å; T274-I352 VanDerWaalsContact CG2-CG2 3.46Å; T284-I352 WeakPolarHBondContact CG2-O 3.27Å; P285-I352 HydrophobicContact CG-CB 4.41Å; P285-I352 HydrophobicContact CG-CD1 3.7Å; P285-I352 HydrophobicContact CG-CG1 4.08Å; N314-I352 HydrophobicContact CB-CD1 3.73Å; K317-I352 HydrophobicContact CB-CD1 4.14Å; K317-I352 HydrophobicContact CB-CG1 4.39Å; K317-I352 HydrophobicContact CD-CD1 4.35Å; K317-I352 HydrophobicContact CD-CG1 3.93Å | ||
| 353 | Q | 94.1 | Very high | 96.1 | Very high | 149 Ų | 149 | 59.2 Ų | 59.2 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | trans | -75.3 | 139.5 | 178.7 | -66.3 | -67.6 | -27 | 0 | 0 | 110.7 | T274 | T274-Q353 WeakPolarHBondContact CG2-O 3.4Š| ||
| 354 | G | 92.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | trans | -56.5 | 139.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 355 | G | 91.7 | Very high | 96.1 | Very high | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | trans | -83 | -179.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T274 N282 | T274-G355 WeakPolarHBondContact OG1-CA 3.33Å; T274-G355 PolarHBondContact OG1-N 2.95Å; T274-G355 VanDerWaalsContact OG1-N 3.11Å; N282-G355 PolarHBondContact ND2-O 3.4Å; N282-G355 WeakPolarHBondContact OD1-CA 3.43Å; N282-G355 PolarHBondContact OD1-N 3.03Å | ||
| 356 | S | 92.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 62.8 Ų | 62.8 | 86% | 0.86 | 38% | 0.382 | S | S | * | . | trans | -93.8 | 6.7 | -179.5 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | P358 | S356-P358 WeakPolarHBondContact O-CD 3.44Š| ||
| 357 | L | 93.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 64 Ų | 64 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -57.5 | 122.2 | -178.6 | -173.3 | 63.1 | 0 | 0 | 0 | 110.5 | R237 Q279 N282 | R237-L357 HydrophobicContact CG-CD1 4.28Å; R237-L357 HydrophobicContact CG-CD2 3.98Å; R237-L357 HydrophobicContact CG-CG 4.37Å; Q279-L357 WeakPolarHBondContact O-CD2 3.34Å; N282-L357 HydrophobicContact CB-CB 4.34Å | ||
| 358 | P | 95.7 | Very high | 96.3 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | trans | -60.5 | 140.1 | 177.5 | -25 | 35.2 | 0 | 0 | 0 | 111.6 | G238 S356 | G238-P358 WeakPolarHBondContact CA-O 3.36Å; S356-P358 WeakPolarHBondContact O-CD 3.44Å | ||
| 359 | N | 97.5 | Very high | 96.2 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | trans | -96.1 | 112.3 | -176.4 | -175 | -1.8 | 0 | 0 | 0 | 111.4 | G238 Q243 N361 | G238-N359 VanDerWaalsContact O-CB 3.24Å; G238-N359 WeakPolarHBondContact O-CB 3.49Å; G238-N359 PolarHBondContact O-OD1 3.5Å; Q243-N359 PolarHBondContact OE1-ND2 3.48Å; N359-N361 VanDerWaalsContact C-N 3.34Å; N359-N361 VanDerWaalsContact OD1-CB 3.31Å; N359-N361 WeakPolarHBondContact OD1-CB 3.25Å; N359-N361 PolarHBondContact OD1-N 3.34Å; N359-N361 PolarHBondContact OD1-ND2 2.69Å | ||
| 360 | A | 97.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | trans | -87.2 | 0.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | R236 R237 S362 | R236-A360 HydrophobicContact CB-CB 3.8Å; R236-A360 WeakPolarHBondContact CD-O 3.19Å; R237-A360 PolarHBondContact O-N 3.15Å; A360-S362 PolarHBondContact O-N 3.37Å | ||
| 361 | N | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | trans | -89.8 | 85.6 | -179.8 | -59.7 | -85.2 | 0 | 0 | 0 | 110.8 | R236 L239 Q243 N359 L366 | R236-N361 PolarHBondContact N-OD1 3.02Å; R236-N361 PolarHBondContact O-ND2 3.37Å; L239-N361 HydrophobicContact CD1-CB 3.97Å; L239-N361 PolarHBondContact N-ND2 2.71Å; Q243-N361 PolarHBondContact NE2-O 2.96Å; N359-N361 VanDerWaalsContact C-N 3.34Å; N359-N361 VanDerWaalsContact OD1-CB 3.31Å; N359-N361 WeakPolarHBondContact OD1-CB 3.25Å; N359-N361 PolarHBondContact OD1-N 3.34Å; N359-N361 PolarHBondContact OD1-ND2 2.69Å; N361-L366 HydrophobicContact CB-CD1 4.1Å; N361-L366 HydrophobicContact CB-CD2 3.98Å; N361-L366 HydrophobicContact CB-CG 4.07Å | ||
| 362 | S | 97.6 | Very high | 95.9 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | trans | -64.7 | 149.7 | 173.6 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | A360 E364 Y365 L366 | A360-S362 PolarHBondContact O-N 3.37Å; S362-E364 PolarHBondContact O-N 3.36Å; S362-Y365 WeakPolarHBondContact O-CB 3.39Å; S362-Y365 PolarHBondContact O-N 2.98Å; S362-Y365 WeakPolarHBondContact OG-CB 3.32Å; S362-Y365 PolarHBondContact OG-N 3.26Å; S362-Y365 VanDerWaalsContact OG-N 3.16Å; S362-L366 PolarHBondContact O-N 3.38Å | ||
| 363 | A | 96.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.2 | -30.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R367 | A363-R367 WeakPolarHBondContact O-CB 3.48Å; A363-R367 VanDerWaalsContact O-CG 3.31Å; A363-R367 WeakPolarHBondContact O-CG 3.39Å; A363-R367 PolarHBondContact O-N 2.84Å; A363-R367 VanDerWaalsContact O-N 3.11Å |
| 364 | E | 97.9 | Very high | 95.6 | Very high | 151 Ų | 151 | 59.7 Ų | 59.7 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | 173 | -176.3 | 178.3 | -175.8 | 0 | 0 | 112 | S362 R367 G368 | S362-E364 PolarHBondContact O-N 3.36Å; E364-R367 PolarHBondContact O-N 2.94Å; E364-G368 PolarHBondContact O-N 2.79Å |
| 365 | Y | 97.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 177.1 | 173.5 | -102.8 | 0 | 0 | 0 | 111.5 | P234 R236 S362 R367 G368 I369 | P234-Y365 PolarHBondContact O-OH 2.86Å; R236-Y365 HydrophobicContact CG-CD1 4.49Å; R236-Y365 HydrophobicContact CG-CE1 3.93Å; S362-Y365 WeakPolarHBondContact O-CB 3.39Å; S362-Y365 PolarHBondContact O-N 2.98Å; S362-Y365 WeakPolarHBondContact OG-CB 3.32Å; S362-Y365 PolarHBondContact OG-N 3.26Å; S362-Y365 VanDerWaalsContact OG-N 3.16Å; Y365-R367 PolarHBondContact O-N 3.31Å; Y365-G368 PolarHBondContact O-N 2.87Å; Y365-G368 VanDerWaalsContact O-N 3.11Å; Y365-I369 HydrophobicContact CE1-CG1 4.13Å; Y365-I369 HydrophobicContact CE2-CD1 4.24Å; Y365-I369 HydrophobicContact CE2-CG1 4.04Å; Y365-I369 PolarHBondContact O-N 2.72Å |
| 366 | L | 97.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | -179.4 | -65.4 | -178.9 | 0 | 0 | 0 | 112.1 | L235 Q243 I247 N361 S362 G368 I369 I370 | L235-L366 HydrophobicContact CD2-CD2 3.82Å; Q243-L366 HydrophobicContact CB-CD1 3.93Å; Q243-L366 HydrophobicContact CG-CD1 3.99Å; I247-L366 HydrophobicContact CD1-CD1 4.07Å; I247-L366 HydrophobicContact CD1-CD2 3.65Å; I247-L366 HydrophobicContact CD1-CG 4.37Å; I247-L366 HydrophobicContact CG1-CD2 4.41Å; N361-L366 HydrophobicContact CB-CD1 4.1Å; N361-L366 HydrophobicContact CB-CD2 3.98Å; N361-L366 HydrophobicContact CB-CG 4.07Å; S362-L366 PolarHBondContact O-N 3.38Å; L366-G368 VanDerWaalsContact C-N 3.3Å; L366-G368 PolarHBondContact O-N 2.99Å; L366-I369 PolarHBondContact O-N 3.11Å; L366-I370 VanDerWaalsContact O-CG1 3.28Å; L366-I370 WeakPolarHBondContact O-CG1 3.39Å; L366-I370 PolarHBondContact O-N 3.39Å |
| 367 | R | 96.4 | Very high | 95.3 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 174.5 | -76.8 | -171.3 | -60 | -94.9 | 1.4 | 112.3 | A363 E364 Y365 Y371 | A363-R367 WeakPolarHBondContact O-CB 3.48Å; A363-R367 VanDerWaalsContact O-CG 3.31Å; A363-R367 WeakPolarHBondContact O-CG 3.39Å; A363-R367 PolarHBondContact O-N 2.84Å; A363-R367 VanDerWaalsContact O-N 3.11Å; E364-R367 PolarHBondContact O-N 2.94Å; Y365-R367 PolarHBondContact O-N 3.31Å; R367-Y371 VanDerWaalsContact O-CB 3.28Å; R367-Y371 WeakPolarHBondContact O-CB 3.43Å; R367-Y371 PolarHBondContact O-N 3.18Å |
| 368 | G | 97.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -50 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E364 Y365 L366 Y371 I372 | E364-G368 PolarHBondContact O-N 2.79Å; Y365-G368 PolarHBondContact O-N 2.87Å; Y365-G368 VanDerWaalsContact O-N 3.11Å; L366-G368 VanDerWaalsContact C-N 3.3Å; L366-G368 PolarHBondContact O-N 2.99Å; G368-Y371 PolarHBondContact O-N 3.24Å; G368-I372 WeakPolarHBondContact O-CG1 3.08Å; G368-I372 PolarHBondContact O-N 3.27Å |
| 369 | I | 96.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 177.4 | -66.2 | -58.7 | 0 | 0 | 0 | 111.2 | V218 V233 P234 Y365 L366 Y371 I372 I373 | V218-I369 HydrophobicContact CB-CD1 4.06Å; V218-I369 HydrophobicContact CG1-CD1 4.14Å; V218-I369 HydrophobicContact CG2-CD1 4.3Å; V218-I369 HydrophobicContact CG2-CG2 4.45Å; V233-I369 HydrophobicContact CG1-CG2 4.1Å; P234-I369 HydrophobicContact CG-CD1 3.9Å; Y365-I369 HydrophobicContact CE1-CG1 4.13Å; Y365-I369 HydrophobicContact CE2-CD1 4.24Å; Y365-I369 HydrophobicContact CE2-CG1 4.04Å; Y365-I369 PolarHBondContact O-N 2.72Å; L366-I369 PolarHBondContact O-N 3.11Å; I369-Y371 VanDerWaalsContact C-N 3.29Å; I369-Y371 PolarHBondContact O-N 3.19Å; I369-I372 PolarHBondContact O-N 3.22Å; I369-I373 HydrophobicContact CG2-CD1 3.61Å; I369-I373 HydrophobicContact CG2-CG1 4.46Å; I369-I373 WeakPolarHBondContact O-CD1 3.47Å; I369-I373 WeakPolarHBondContact O-CG1 3.33Å; I369-I373 PolarHBondContact O-N 3.08Å |
| 370 | I | 95.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 179 | -66.7 | 167.4 | 0 | 0 | 0 | 111.1 | I247 Q250 L366 I373 A374 | I247-I370 HydrophobicContact CB-CD1 4.44Å; I247-I370 HydrophobicContact CG1-CD1 4.11Å; I247-I370 HydrophobicContact CG2-CD1 4.37Å; I247-I370 HydrophobicContact CG2-CG1 4.3Å; Q250-I370 HydrophobicContact CB-CD1 4.44Å; Q250-I370 HydrophobicContact CB-CG2 4.25Å; L366-I370 VanDerWaalsContact O-CG1 3.28Å; L366-I370 WeakPolarHBondContact O-CG1 3.39Å; L366-I370 PolarHBondContact O-N 3.39Å; I370-I373 PolarHBondContact O-N 3.38Å; I370-A374 WeakPolarHBondContact O-CB 3.44Å; I370-A374 PolarHBondContact O-N 3.15Å |
| 371 | Y | 95.3 | Very high | 91.7 | Very high | 172 Ų | 172 | 54.8 Ų | 54.8 | 68% | 0.675 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -47.8 | 177.4 | 175.1 | -96.8 | 0 | 0 | 0 | 111.8 | R367 G368 I369 I373 A374 S375 | R367-Y371 VanDerWaalsContact O-CB 3.28Å; R367-Y371 WeakPolarHBondContact O-CB 3.43Å; R367-Y371 PolarHBondContact O-N 3.18Å; G368-Y371 PolarHBondContact O-N 3.24Å; I369-Y371 VanDerWaalsContact C-N 3.29Å; I369-Y371 PolarHBondContact O-N 3.19Å; Y371-I373 PolarHBondContact O-N 2.93Å; Y371-A374 PolarHBondContact O-N 3.4Å; Y371-S375 WeakPolarHBondContact O-CB 3.34Å; Y371-S375 PolarHBondContact O-N 2.53Å |
| 372 | I | 95.1 | Very high | 89.6 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 36% | 0.359 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 178.1 | -66.1 | 165.5 | 0 | 0 | 0 | 109.8 | V218 G368 I369 A374 S375 | V218-I372 HydrophobicContact CG1-CD1 4.03Å; V218-I372 HydrophobicContact CG1-CG2 4.2Å; V218-I372 HydrophobicContact CG2-CB 3.97Å; V218-I372 HydrophobicContact CG2-CG2 3.58Å; G368-I372 WeakPolarHBondContact O-CG1 3.08Å; G368-I372 PolarHBondContact O-N 3.27Å; I369-I372 PolarHBondContact O-N 3.22Å; I372-A374 PolarHBondContact O-N 2.81Å; I372-S375 PolarHBondContact O-N 3.12Å; I372-S375 PolarHBondContact O-OG 3.07Å |
| 373 | I | 94.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 178.7 | -66.2 | 161.1 | 0 | 0 | 0 | 110.8 | V218 V231 V233 I251 I369 I370 Y371 S375 R376 F377 | V218-I373 HydrophobicContact CG2-CG1 3.94Å; V231-I373 HydrophobicContact CG1-CG2 3.72Å; V233-I373 HydrophobicContact CB-CD1 4.32Å; V233-I373 HydrophobicContact CG1-CD1 4.21Å; V233-I373 HydrophobicContact CG2-CD1 3.83Å; I251-I373 HydrophobicContact CD1-CD1 3.89Å; I369-I373 HydrophobicContact CG2-CD1 3.61Å; I369-I373 HydrophobicContact CG2-CG1 4.46Å; I369-I373 WeakPolarHBondContact O-CD1 3.47Å; I369-I373 WeakPolarHBondContact O-CG1 3.33Å; I369-I373 PolarHBondContact O-N 3.08Å; I370-I373 PolarHBondContact O-N 3.38Å; Y371-I373 PolarHBondContact O-N 2.93Å; I373-S375 VanDerWaalsContact C-N 3.29Å; I373-S375 PolarHBondContact O-N 3.42Å; I373-R376 PolarHBondContact O-N 2.97Å; I373-F377 HydrophobicContact CG2-CE1 3.96Å; I373-F377 HydrophobicContact CG2-CE2 4.03Å; I373-F377 HydrophobicContact CG2-CZ 3.48Å; I373-F377 VanDerWaalsContact CG2-CZ 3.48Å |
| 374 | A | 91.2 | Very high | 85.1 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -35.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I370 Y371 I372 R376 F377 P378 | I370-A374 WeakPolarHBondContact O-CB 3.44Å; I370-A374 PolarHBondContact O-N 3.15Å; Y371-A374 PolarHBondContact O-N 3.4Å; I372-A374 PolarHBondContact O-N 2.81Å; A374-R376 PolarHBondContact O-N 2.91Å; A374-F377 PolarHBondContact O-N 2.95Å; A374-P378 WeakPolarHBondContact O-CD 3.46Å |
| 375 | S | 92.3 | Very high | 82.1 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -19.7 | -179.1 | 74.9 | 0 | 0 | 0 | 0 | 113.5 | Y371 I372 I373 | Y371-S375 WeakPolarHBondContact O-CB 3.34Å; Y371-S375 PolarHBondContact O-N 2.53Å; I372-S375 PolarHBondContact O-N 3.12Å; I372-S375 PolarHBondContact O-OG 3.07Å; I373-S375 VanDerWaalsContact C-N 3.29Å; I373-S375 PolarHBondContact O-N 3.42Å |
| 376 | R | 90.6 | Very high | 79.1 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -86.1 | -29.7 | 179.2 | -61.6 | 179.5 | -63.7 | -165.1 | 0.5 | 113 | V218 I373 A374 P378 Q379 | V218-R376 PolarHBondContact O-NH1 3.4Å; I373-R376 PolarHBondContact O-N 2.97Å; A374-R376 PolarHBondContact O-N 2.91Å; R376-P378 VanDerWaalsContact C-CD 3.44Å; R376-Q379 VanDerWaalsContact O-CB 3.29Å; R376-Q379 WeakPolarHBondContact O-CB 3.35Å; R376-Q379 PolarHBondContact O-N 3.12Å |
| 377 | F | 88 | Confident | 76.1 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 4% | 0.039 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.2 | -174.6 | -70 | -18.4 | 0 | 0 | 0 | 115.6 | V231 R254 L255 V258 I373 A374 Q379 L380 | V231-F377 HydrophobicContact CG1-CZ 4.45Å; V231-F377 HydrophobicContact CG2-CE1 4.03Å; R254-F377 HydrophobicContact CB-CD2 3.55Å; R254-F377 HydrophobicContact CB-CE2 3.46Å; R254-F377 VanDerWaalsContact CB-CE2 3.46Å; R254-F377 HydrophobicContact CG-CD2 4.3Å; R254-F377 HydrophobicContact CG-CE2 4.32Å; L255-F377 HydrophobicContact CD2-CE1 3.91Å; L255-F377 HydrophobicContact CD2-CZ 3.62Å; L255-F377 HydrophobicContact CG-CZ 4.33Å; V258-F377 HydrophobicContact CG1-CB 3.91Å; V258-F377 HydrophobicContact CG1-CG 4.49Å; V258-F377 HydrophobicContact CG2-CB 4.39Å; V258-F377 HydrophobicContact CG2-CD1 4.17Å; V258-F377 HydrophobicContact CG2-CG 4.23Å; I373-F377 HydrophobicContact CG2-CE1 3.96Å; I373-F377 HydrophobicContact CG2-CE2 4.03Å; I373-F377 HydrophobicContact CG2-CZ 3.48Å; I373-F377 VanDerWaalsContact CG2-CZ 3.48Å; A374-F377 PolarHBondContact O-N 2.95Å; F377-Q379 PolarHBondContact O-N 3.34Å; F377-Q379 VanDerWaalsContact O-N 3.16Å; F377-L380 HydrophobicContact CD1-CD1 4.15Å; F377-L380 WeakPolarHBondContact O-CB 3.31Å; F377-L380 PolarHBondContact O-N 3.49Å |
| 378 | P | 84.3 | Confident | 75.1 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.9 | -30.9 | 173.4 | -28 | 36.5 | 0 | 0 | 0 | 113.8 | A374 R376 L380 V381 | A374-P378 WeakPolarHBondContact O-CD 3.46Å; R376-P378 VanDerWaalsContact C-CD 3.44Å; P378-L380 PolarHBondContact O-N 2.8Å; P378-V381 PolarHBondContact O-N 3.47Å |
| 379 | Q | 81.3 | Confident | 73.9 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.9 | -12.9 | -179.8 | -56.5 | 174.7 | 36.3 | 0 | 0 | 113.3 | N228 R376 F377 | N228-Q379 PolarHBondContact ND2-OE1 3.13Å; R376-Q379 VanDerWaalsContact O-CB 3.29Å; R376-Q379 WeakPolarHBondContact O-CB 3.35Å; R376-Q379 PolarHBondContact O-N 3.12Å; F377-Q379 PolarHBondContact O-N 3.34Å; F377-Q379 VanDerWaalsContact O-N 3.16Å |
| 380 | L | 78.6 | Confident | 72.7 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -88.2 | -24.5 | 177.6 | -64.8 | 173.4 | 0 | 0 | 0 | 112.6 | M200 N228 Y229 V258 F377 P378 D382 | M200-L380 HydrophobicContact CE-CD1 3.69Å; N228-L380 HydrophobicContact CB-CD1 4.49Å; N228-L380 HydrophobicContact CB-CD2 3.67Å; N228-L380 HydrophobicContact CB-CG 4.06Å; Y229-L380 HydrophobicContact CD1-CD2 4.42Å; Y229-L380 HydrophobicContact CD2-CD2 3.77Å; Y229-L380 HydrophobicContact CE1-CD2 4.09Å; Y229-L380 HydrophobicContact CE2-CD2 3.39Å; Y229-L380 HydrophobicContact CG-CD2 4.27Å; V258-L380 HydrophobicContact CB-CB 4.2Å; V258-L380 HydrophobicContact CB-CD1 4.26Å; V258-L380 HydrophobicContact CG2-CD1 3.7Å; F377-L380 HydrophobicContact CD1-CD1 4.15Å; F377-L380 WeakPolarHBondContact O-CB 3.31Å; F377-L380 PolarHBondContact O-N 3.49Å; P378-L380 PolarHBondContact O-N 2.8Å; L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 3.22Å |
| 381 | V | 64.9 | Low | 71.3 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.5 | -30.7 | -176.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | V258 P378 I383 | V258-V381 HydrophobicContact CG1-CG2 4.03Å; P378-V381 PolarHBondContact O-N 3.47Å; V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 3.37Å |
| 382 | D | 52.4 | Low | 69.8 | Low | 143 Ų | 143 | 76.8 Ų | 76.8 | 77% | 0.765 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.8 | -174.4 | -69.8 | -30.5 | 0 | 0 | 0 | 114.8 | L380 | L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 3.22Å |
| 383 | I | 52.8 | Low | 68.2 | Low | 92 Ų | 92 | 77.3 Ų | 77.3 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.1 | -171.7 | -57.6 | 178.9 | 0 | 0 | 0 | 112.8 | V381 P385 | V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 3.37Å; I383-P385 WeakPolarHBondContact O-CD 3.17Å |
| 384 | F | 47 | Very low | 66.3 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | trans | -116.7 | 94.6 | 178.7 | -64.5 | -70.1 | 0 | 0 | 0 | 111 | Y229 S386 | Y229-F384 VanDerWaalsContact OH-CE2 3.3Å; Y229-F384 WeakPolarHBondContact OH-CE2 3.38Å; F384-S386 PolarHBondContact O-N 3.21Å | ||
| 385 | P | 35.6 | Very low | 64.4 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 66% | 0.662 | 50% | 0.495 | S | S | * | . | trans | -60.7 | 126.9 | 161.7 | 27.3 | -30.3 | 0 | 0 | 0 | 106.9 | I383 N387 | I383-P385 WeakPolarHBondContact O-CD 3.17Å; P385-N387 PolarHBondContact O-N 3.26Å | ||
| 386 | S | 35.9 | Very low | 62 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 87% | 0.867 | 50% | 0.502 | S | S | * | . | trans | -49 | 104.7 | 167.5 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | F384 | F384-S386 PolarHBondContact O-N 3.21Š| ||
| 387 | N | 33 | Very low | 59.4 | Low | 228 Ų | 228 | 96.2 Ų | 96.2 | 100% | 1.219 | 54% | 0.541 | S | S | * | . | trans | -77.5 | 0 | 170 | -83.7 | -19.8 | 0 | 0 | 0 | 110.6 | P385 | P385-N387 PolarHBondContact O-N 3.26Š|
Retrieved 387 of 387 residues in 452.8 ms
(Link to these results)