| 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 | 33.9 | Very low | 44.2 | Very low | 179 Ų | 179 | 69.1 Ų | 69.1 | 88% | 0.882 | 34% | 0.339 | S | S | * | . | 0 | 132.7 | 0 | -78.9 | 163 | 172 | 0 | 0 | 107.7 | Y3 | M1-Y3 HydrophobicContact CB-CE1 3.78Å; M1-Y3 HydrophobicContact CB-CE2 4.15Å; M1-Y3 WeakPolarHBondContact CB-OH 3.33Å | |||
| 2 | N | 37.8 | Very low | 45.4 | Very low | 113 Ų | 113 | 63.8 Ų | 63.8 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -91 | 123.5 | 178.5 | -60.3 | -52.2 | 0 | 0 | 0 | 107.1 | Y16 | N2-Y16 HydrophobicContact CB-CE1 4.4Å; N2-Y16 WeakPolarHBondContact OD1-CE1 3.08Å | ||
| 3 | Y | 43.6 | Very low | 46.7 | Very low | 17 Ų | 17 | 60.5 Ų | 60.5 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.9 | -178.9 | -55.6 | -67.9 | 0 | 0 | 0 | 110.1 | M1 L15 A17 P19 F66 | M1-Y3 HydrophobicContact CB-CE1 3.78Å; M1-Y3 HydrophobicContact CB-CE2 4.15Å; M1-Y3 WeakPolarHBondContact CB-OH 3.33Å; Y3-L15 PolarHBondContact O-N 2.82Å; Y3-L15 VanDerWaalsContact O-O 3.04Å; Y3-A17 HydrophobicContact CD2-CB 4.28Å; Y3-A17 WeakPolarHBondContact CE2-O 3.41Å; Y3-P19 HydrophobicContact CE2-CG 4.02Å; Y3-P19 WeakPolarHBondContact OH-CG 3.41Å; Y3-F66 AromaticContact CD1-CD1 3.55Å; Y3-F66 HydrophobicContact CD1-CD1 3.55Å; Y3-F66 AromaticContact CD1-CE1 3.99Å; Y3-F66 HydrophobicContact CD1-CE1 3.99Å; Y3-F66 HydrophobicContact CD2-CD1 4.35Å; Y3-F66 HydrophobicContact CD2-CE1 4.1Å; Y3-F66 HydrophobicContact CE1-CB 4.31Å; Y3-F66 AromaticContact CE1-CD1 3.47Å; Y3-F66 HydrophobicContact CE1-CD1 3.47Å; Y3-F66 VanDerWaalsContact CE1-CD1 3.47Å; Y3-F66 HydrophobicContact CE1-CE1 4.17Å; Y3-F66 HydrophobicContact CE1-CG 4.26Å; Y3-F66 HydrophobicContact CE2-CD1 4.27Å; Y3-F66 HydrophobicContact CE2-CE1 4.25Å; Y3-F66 HydrophobicContact CG-CD1 4Å; Y3-F66 AromaticContact CG-CE1 3.95Å; Y3-F66 HydrophobicContact CG-CE1 3.95Å; Y3-F66 AromaticContact CZ-CD1 3.83Å |
| 4 | S | 41.5 | Very low | 47.9 | Very low | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 105.3 | 177.6 | 160.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 5 | T | 45.6 | Very low | 49.1 | Very low | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.1 | 174.1 | -50 | 0 | 0 | 0 | 0 | 108.9 | F7 M13 L71 V73 | T5-F7 VanDerWaalsContact CB-CE2 3.46Å; T5-F7 HydrophobicContact CG2-CD1 4.44Å; T5-F7 HydrophobicContact CG2-CD2 4.2Å; T5-F7 HydrophobicContact CG2-CE1 3.69Å; T5-F7 HydrophobicContact CG2-CE2 3.42Å; T5-F7 VanDerWaalsContact CG2-CE2 3.42Å; T5-F7 HydrophobicContact CG2-CZ 3.16Å; T5-F7 VanDerWaalsContact O-CD2 3.3Å; T5-F7 WeakPolarHBondContact O-CD2 3.33Å; T5-F7 VanDerWaalsContact O-CE2 3.3Å; T5-F7 WeakPolarHBondContact O-CE2 3.25Å; T5-M13 PolarHBondContact N-O 3.05Å; T5-M13 CarbonylContact O-C 3.54Å; T5-M13 PolarHBondContact O-N 3.2Å; T5-L71 HydrophobicContact CG2-CB 3.88Å; T5-V73 HydrophobicContact CG2-CG2 3.86Å |
| 6 | R | 44.2 | Very low | 50 | Low | 73 Ų | 73 | 55.2 Ų | 55.2 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.3 | 175.9 | -66.5 | -169.5 | 175.8 | 167.4 | 10 | 108.9 | V12 L70 L71 L72 V73 | R6-V12 HydrophobicContact CG-CG2 4.06Å; R6-L70 HydrophobicContact CG-CD1 3.87Å; R6-L71 WeakPolarHBondContact CA-O 3.45Å; R6-L71 WeakPolarHBondContact CB-O 3.34Å; R6-L71 PolarHBondContact N-O 3.47Å; R6-L72 HydrophobicContact CB-CD2 3.59Å; R6-L72 HydrophobicContact CB-CG 4.29Å; R6-L72 HydrophobicContact CG-CD2 4.39Å; R6-L72 CarbonylContact O-C 3.59Å; R6-L72 VanDerWaalsContact O-CA 3.25Å; R6-L72 WeakPolarHBondContact O-CA 2.96Å; R6-V73 PolarHBondContact O-N 2.86Å |
| 7 | F | 47.4 | Very low | 50.9 | Low | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.3 | -177.4 | -62 | -88.6 | 0 | 0 | 0 | 109.9 | T5 F9 D11 M13 L15 V30 A33 C34 V73 | T5-F7 VanDerWaalsContact CB-CE2 3.46Å; T5-F7 HydrophobicContact CG2-CD1 4.44Å; T5-F7 HydrophobicContact CG2-CD2 4.2Å; T5-F7 HydrophobicContact CG2-CE1 3.69Å; T5-F7 HydrophobicContact CG2-CE2 3.42Å; T5-F7 VanDerWaalsContact CG2-CE2 3.42Å; T5-F7 HydrophobicContact CG2-CZ 3.16Å; T5-F7 VanDerWaalsContact O-CD2 3.3Å; T5-F7 WeakPolarHBondContact O-CD2 3.33Å; T5-F7 VanDerWaalsContact O-CE2 3.3Å; T5-F7 WeakPolarHBondContact O-CE2 3.25Å; F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 2.83Å; F7-D11 VanDerWaalsContact O-O 3.11Å; F7-M13 HydrophobicContact CD2-CB 3.53Å; F7-M13 HydrophobicContact CD2-CG 4.13Å; F7-M13 HydrophobicContact CE2-CB 3.47Å; F7-M13 VanDerWaalsContact CE2-CB 3.47Å; F7-M13 HydrophobicContact CE2-CG 4.4Å; F7-L15 HydrophobicContact CE2-CD1 4.26Å; F7-L15 HydrophobicContact CZ-CD1 3.92Å; F7-V30 HydrophobicContact CE1-CB 4.49Å; F7-V30 HydrophobicContact CE1-CG1 3.97Å; F7-V30 HydrophobicContact CE1-CG2 4.26Å; F7-V30 HydrophobicContact CZ-CG2 4.45Å; F7-A33 HydrophobicContact CZ-CB 4.26Å; F7-C34 WeakPolarHBondContact CD1-SG 3.48Å; F7-C34 WeakPolarHBondContact CE1-SG 3.39Å; F7-V73 HydrophobicContact CD1-CB 3.37Å; F7-V73 HydrophobicContact CD1-CG1 3.93Å; F7-V73 HydrophobicContact CD1-CG2 3.44Å; F7-V73 VanDerWaalsContact CD1-CG2 3.44Å; F7-V73 HydrophobicContact CE1-CB 3.79Å; F7-V73 HydrophobicContact CE1-CG1 4.22Å; F7-V73 HydrophobicContact CE1-CG2 3.31Å; F7-V73 HydrophobicContact CG-CB 4.31Å; F7-V73 HydrophobicContact CG-CG2 4.43Å; F7-V73 HydrophobicContact CZ-CG2 4.24Å |
| 8 | W | 40.3 | Very low | 51.5 | Low | 85 Ų | 85 | 59.8 Ų | 59.8 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -82.2 | 81.9 | -178.1 | -147.6 | 92.5 | 0 | 0 | 0 | 111.5 | V73 F74 G87 | W8-V73 WeakPolarHBondContact CB-O 3.47Å; W8-V73 PolarHBondContact N-O 2.7Å; W8-F74 HydrophobicContact CB-CD1 4.29Å; W8-F74 AromaticContact CD1-CE1 3.87Å; W8-F74 HydrophobicContact CG-CD1 4.29Å; W8-F74 HydrophobicContact CG-CE1 4.41Å; W8-G87 VanDerWaalsContact CE2-O 3.3Å; W8-G87 WeakPolarHBondContact CZ2-O 3.32Å; W8-G87 PolarHBondContact NE1-O 2.66Å |
| 9 | F | 43.8 | Very low | 52 | Low | 124 Ų | 124 | 60.6 Ų | 60.6 | 54% | 0.544 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -163 | 81.7 | 147.7 | -87.3 | -72.4 | 0 | 0 | 0 | 106.1 | F7 D11 I168 | F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 2.83Å; F9-D11 PolarHBondContact O-N 3.42Å; F9-I168 HydrophobicContact CZ-CD1 4.39Å |
| 10 | S | 50.8 | Low | 52.7 | Low | 61 Ų | 61 | 64 Ų | 64 | 43% | 0.427 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 56.5 | -6.2 | 173.1 | 46.5 | 0 | 0 | 0 | 0 | 119.5 | W100 | S10-W100 VanDerWaalsContact C-CE3 3.49Š|
| 11 | D | 57.6 | Low | 53.8 | Low | 50 Ų | 50 | 62 Ų | 62 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143 | -165.5 | -62.2 | -29.3 | 0 | 0 | 0 | 113.4 | F7 F9 K101 F103 | F7-D11 VanDerWaalsContact O-O 3.11Å; F9-D11 PolarHBondContact O-N 3.42Å; D11-K101 WeakPolarHBondContact OD1-CB 3.48Å; D11-F103 HydrophobicContact CB-CD2 3.92Å; D11-F103 HydrophobicContact CB-CE2 3.75Å; D11-F103 VanDerWaalsContact CG-CE2 3.42Å; D11-F103 WeakPolarHBondContact OD2-CE2 3.31Å |
| 12 | V | 58.1 | Low | 56.3 | Low | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.6 | 170.2 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | R6 I14 W100 K101 K102 F103 | R6-V12 HydrophobicContact CG-CG2 4.06Å; V12-I14 HydrophobicContact CG1-CD1 3.59Å; V12-I14 HydrophobicContact CG1-CG1 4.29Å; V12-W100 HydrophobicContact CG2-CB 3.51Å; V12-W100 HydrophobicContact CG2-CG 4.18Å; V12-K101 PolarHBondContact N-O 2.82Å; V12-K101 VanDerWaalsContact O-O 3.09Å; V12-K102 HydrophobicContact CB-CG 4.04Å; V12-K102 HydrophobicContact CG1-CG 4.07Å; V12-K102 CarbonylContact O-C 3.57Å; V12-K102 WeakPolarHBondContact O-CA 3.46Å; V12-F103 PolarHBondContact O-N 2.85Å |
| 13 | M | 62.8 | Low | 58.5 | Low | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 111 | 174.3 | -76 | -85.5 | -100.4 | 0 | 0 | 110.6 | T5 F7 L15 A33 F103 L110 | T5-M13 PolarHBondContact N-O 3.05Å; T5-M13 CarbonylContact O-C 3.54Å; T5-M13 PolarHBondContact O-N 3.2Å; F7-M13 HydrophobicContact CD2-CB 3.53Å; F7-M13 HydrophobicContact CD2-CG 4.13Å; F7-M13 HydrophobicContact CE2-CB 3.47Å; F7-M13 VanDerWaalsContact CE2-CB 3.47Å; F7-M13 HydrophobicContact CE2-CG 4.4Å; M13-L15 PolarHBondContact O-N 3.05Å; M13-A33 HydrophobicContact CE-CB 4.42Å; M13-A33 WeakPolarHBondContact CE-O 3.36Å; M13-F103 HydrophobicContact CG-CB 4.47Å; M13-F103 HydrophobicContact SD-CB 3.51Å; M13-F103 VanDerWaalsContact SD-CB 3.51Å; M13-F103 HydrophobicContact SD-CG 4.37Å; M13-L110 HydrophobicContact CE-CD1 3.53Å; M13-L110 HydrophobicContact SD-CD1 3.25Å; M13-L110 WeakPolarHBondContact SD-CD1 3.39Å |
| 14 | I | 64 | Low | 60.5 | Low | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 116.1 | 174.9 | -52.7 | -58.3 | 0 | 0 | 0 | 108.4 | V12 Y16 F103 Y104 R105 | V12-I14 HydrophobicContact CG1-CD1 3.59Å; V12-I14 HydrophobicContact CG1-CG1 4.29Å; I14-Y16 HydrophobicContact CG2-CE1 4.43Å; I14-Y16 HydrophobicContact CG2-CE2 4.49Å; I14-F103 PolarHBondContact N-O 2.81Å; I14-Y104 HydrophobicContact CB-CD1 3.8Å; I14-Y104 HydrophobicContact CB-CE1 3.97Å; I14-Y104 HydrophobicContact CB-CG 4.47Å; I14-Y104 HydrophobicContact CG1-CD1 4.21Å; I14-Y104 HydrophobicContact CG1-CE1 3.94Å; I14-Y104 HydrophobicContact CG2-CD1 3.92Å; I14-Y104 HydrophobicContact CG2-CE1 3.95Å; I14-R105 PolarHBondContact O-N 3Å |
| 15 | L | 65.3 | Low | 62.4 | Low | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.2 | -179.8 | -57.5 | 175.7 | 0 | 0 | 0 | 109.5 | Y3 F7 M13 L29 A33 R105 | Y3-L15 PolarHBondContact O-N 2.82Å; Y3-L15 VanDerWaalsContact O-O 3.04Å; F7-L15 HydrophobicContact CE2-CD1 4.26Å; F7-L15 HydrophobicContact CZ-CD1 3.92Å; M13-L15 PolarHBondContact O-N 3.05Å; L15-L29 HydrophobicContact CB-CD2 3.93Å; L15-L29 HydrophobicContact CD1-CD2 3.38Å; L15-L29 HydrophobicContact CD1-CG 4.09Å; L15-L29 HydrophobicContact CG-CD2 4.24Å; L15-A33 HydrophobicContact CD1-CB 3.56Å; L15-A33 HydrophobicContact CD2-CB 3.72Å; L15-A33 HydrophobicContact CG-CB 4.25Å; L15-R105 HydrophobicContact CD2-CB 4Å |
| 16 | Y | 63.4 | Low | 64.2 | Low | 73 Ų | 73 | 60.1 Ų | 60.1 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | trans | -99.4 | 111.8 | 175.6 | -63.4 | -73.4 | 0 | 0 | 0 | 108.5 | N2 I14 Y104 I106 H151 K152 | N2-Y16 HydrophobicContact CB-CE1 4.4Å; N2-Y16 WeakPolarHBondContact OD1-CE1 3.08Å; I14-Y16 HydrophobicContact CG2-CE1 4.43Å; I14-Y16 HydrophobicContact CG2-CE2 4.49Å; Y16-Y104 HydrophobicContact CE2-CD1 4.09Å; Y16-Y104 AromaticContact CZ-CD1 4Å; Y16-Y104 WeakPolarHBondContact OH-CD1 2.58Å; Y16-Y104 WeakPolarHBondContact OH-CE1 3.39Å; Y16-I106 HydrophobicContact CD2-CD1 4.5Å; Y16-I106 HydrophobicContact CD2-CG1 4.24Å; Y16-I106 HydrophobicContact CE2-CD1 4.19Å; Y16-I106 HydrophobicContact CE2-CG1 4.28Å; Y16-H151 PolarHBondContact OH-NE2 3.26Å; Y16-K152 WeakPolarHBondContact OH-CE 3.46Å | ||
| 17 | A | 64.9 | Low | 66.1 | Low | 18 Ų | 18 | 58.5 Ų | 58.5 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | trans | -125.6 | 142.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y3 L21 L29 | Y3-A17 HydrophobicContact CD2-CB 4.28Å; Y3-A17 WeakPolarHBondContact CE2-O 3.41Å; A17-L21 HydrophobicContact CB-CD1 4.06Å; A17-L21 HydrophobicContact CB-CD2 4.3Å; A17-L29 HydrophobicContact CB-CD1 4.42Å | ||
| 18 | Q | 61.6 | Low | 67.8 | Low | 176 Ų | 176 | 61.5 Ų | 61.5 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 119.8 | 171.9 | -71.1 | -159.8 | -22 | 0 | 0 | 109 | ||
| 19 | P | 61.3 | Low | 69.6 | Low | 75 Ų | 75 | 59.8 Ų | 59.8 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -65.4 | 156.2 | 172.5 | -18.6 | 31.5 | 0 | 0 | 0 | 112 | Y3 | Y3-P19 HydrophobicContact CE2-CG 4.02Å; Y3-P19 WeakPolarHBondContact OH-CG 3.41Å |
| 20 | P | 66.7 | Low | 71.2 | Confident | 127 Ų | 127 | 53.9 Ų | 53.9 | 83% | 0.825 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | cis | -78.6 | 136.3 | -1.3 | 30.4 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 21 | L | 75.8 | Confident | 72.6 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | trans | -107.6 | 128.6 | 172.7 | -136.6 | 81.7 | 0 | 0 | 0 | 108.6 | A17 Q25 F26 Q59 F66 | A17-L21 HydrophobicContact CB-CD1 4.06Å; A17-L21 HydrophobicContact CB-CD2 4.3Å; L21-Q25 HydrophobicContact CD2-CB 4.4Å; L21-Q25 HydrophobicContact CG-CB 3.9Å; L21-F26 HydrophobicContact CD2-CB 3.85Å; L21-F26 HydrophobicContact CD2-CD2 4.25Å; L21-Q59 PolarHBondContact O-NE2 3.24Å; L21-Q59 VanDerWaalsContact O-NE2 3.09Å; L21-F66 HydrophobicContact CB-CE2 4.31Å; L21-F66 HydrophobicContact CB-CZ 4.44Å | ||
| 22 | T | 86 | Confident | 73.5 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | trans | -72 | 157.9 | 170.5 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | D24 Q25 F26 Q59 | T22-D24 PolarHBondContact O-N 3.21Å; T22-Q25 PolarHBondContact O-N 3.38Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.46Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.47Å; T22-Q25 PolarHBondContact OG1-N 2.91Å; T22-F26 WeakPolarHBondContact O-CB 3.45Å; T22-F26 PolarHBondContact O-N 2.71Å; T22-Q59 VanDerWaalsContact CA-OE1 3.29Å | ||
| 23 | L | 83.4 | Confident | 74 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 177.2 | -176 | 66 | 0 | 0 | 0 | 111.5 | F26 H27 I56 L62 | L23-F26 HydrophobicContact CD1-CD1 4.46Å; L23-F26 WeakPolarHBondContact O-CB 3.41Å; L23-F26 PolarHBondContact O-N 3.11Å; L23-H27 WeakPolarHBondContact O-CB 3.31Å; L23-H27 VanDerWaalsContact O-CG 3.28Å; L23-H27 PolarHBondContact O-N 2.89Å; L23-I56 HydrophobicContact CD1-CG2 3.88Å; L23-L62 HydrophobicContact CB-CD2 4.2Å; L23-L62 HydrophobicContact CD1-CB 4.16Å; L23-L62 HydrophobicContact CD1-CD2 3.92Å |
| 24 | D | 85.1 | Confident | 74.3 | Confident | 114 Ų | 114 | 55.1 Ų | 55.1 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.5 | -45.4 | 175.2 | -65.5 | -36 | 0 | 0 | 0 | 112 | T22 F26 H27 D28 | T22-D24 PolarHBondContact O-N 3.21Å; D24-F26 VanDerWaalsContact C-N 3.25Å; D24-F26 PolarHBondContact O-N 2.77Å; D24-H27 PolarHBondContact O-N 3.13Å; D24-D28 WeakPolarHBondContact O-CB 3.44Å; D24-D28 PolarHBondContact O-N 2.74Å |
| 25 | Q | 83.1 | Confident | 74.6 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 174.8 | -73.4 | 169.9 | -14.9 | 0 | 0 | 111.6 | L21 T22 L29 | L21-Q25 HydrophobicContact CD2-CB 4.4Å; L21-Q25 HydrophobicContact CG-CB 3.9Å; T22-Q25 PolarHBondContact O-N 3.38Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.46Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.47Å; T22-Q25 PolarHBondContact OG1-N 2.91Å; Q25-L29 VanDerWaalsContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.69Å |
| 26 | F | 83.1 | Confident | 74.9 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 174.4 | 177.1 | -110 | 0 | 0 | 0 | 111.7 | L21 T22 L23 D24 D28 L29 V30 V44 L62 F66 L71 | L21-F26 HydrophobicContact CD2-CB 3.85Å; L21-F26 HydrophobicContact CD2-CD2 4.25Å; T22-F26 WeakPolarHBondContact O-CB 3.45Å; T22-F26 PolarHBondContact O-N 2.71Å; L23-F26 HydrophobicContact CD1-CD1 4.46Å; L23-F26 WeakPolarHBondContact O-CB 3.41Å; L23-F26 PolarHBondContact O-N 3.11Å; D24-F26 VanDerWaalsContact C-N 3.25Å; D24-F26 PolarHBondContact O-N 2.77Å; F26-D28 VanDerWaalsContact C-N 3.32Å; F26-D28 PolarHBondContact O-N 2.77Å; F26-L29 WeakPolarHBondContact O-CB 3.19Å; F26-L29 PolarHBondContact O-N 3.48Å; F26-V30 HydrophobicContact CD1-CG2 4.45Å; F26-V30 HydrophobicContact CD2-CG2 4.41Å; F26-V30 HydrophobicContact CE1-CG2 3.95Å; F26-V30 HydrophobicContact CE2-CG2 3.9Å; F26-V30 HydrophobicContact CZ-CG2 3.62Å; F26-V30 WeakPolarHBondContact O-CB 3.26Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 2.65Å; F26-V44 HydrophobicContact CE1-CB 4.34Å; F26-V44 HydrophobicContact CE1-CG1 4.04Å; F26-V44 HydrophobicContact CE1-CG2 4Å; F26-V44 HydrophobicContact CZ-CG1 4.1Å; F26-L62 HydrophobicContact CB-CD1 4.25Å; F26-L62 HydrophobicContact CB-CD2 3.64Å; F26-L62 HydrophobicContact CD1-CD1 3.62Å; F26-L62 HydrophobicContact CD1-CD2 4.22Å; F26-L62 HydrophobicContact CD2-CD1 4Å; F26-L62 HydrophobicContact CE1-CD1 3.92Å; F26-L62 HydrophobicContact CE2-CD1 4.28Å; F26-L62 HydrophobicContact CG-CD1 3.66Å; F26-L62 HydrophobicContact CG-CD2 3.99Å; F26-L62 HydrophobicContact CZ-CD1 4.26Å; F26-F66 AromaticContact CD2-CZ 4Å; F26-F66 HydrophobicContact CD2-CZ 4Å; F26-F66 HydrophobicContact CE2-CZ 4.41Å; F26-L71 HydrophobicContact CE2-CD1 3.69Å; F26-L71 HydrophobicContact CZ-CD1 3.51Å |
| 27 | H | 84.5 | Confident | 75.5 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 18% | 0.181 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 175.8 | -74.5 | 171.8 | 0 | 0 | 0 | 112 | L23 D24 V30 R31 F42 | L23-H27 WeakPolarHBondContact O-CB 3.31Å; L23-H27 VanDerWaalsContact O-CG 3.28Å; L23-H27 PolarHBondContact O-N 2.89Å; D24-H27 PolarHBondContact O-N 3.13Å; H27-V30 PolarHBondContact O-N 3.41Å; H27-R31 WeakPolarHBondContact O-CB 3.44Å; H27-R31 WeakPolarHBondContact O-CG 3.42Å; H27-R31 PolarHBondContact O-N 2.85Å; H27-F42 HydrophobicContact CB-CZ 3.96Å; H27-F42 AromaticContact CD2-CE2 3.98Å; H27-F42 AromaticContact CD2-CZ 3.81Å; H27-F42 AromaticContact CG-CZ 3.91Å |
| 28 | D | 81.6 | Confident | 76.1 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 176.3 | -71.4 | -17.8 | 0 | 0 | 0 | 111.9 | D24 F26 R31 S32 | D24-D28 WeakPolarHBondContact O-CB 3.44Å; D24-D28 PolarHBondContact O-N 2.74Å; F26-D28 VanDerWaalsContact C-N 3.32Å; F26-D28 PolarHBondContact O-N 2.77Å; D28-R31 PolarHBondContact O-N 3.38Å; D28-R31 IonicContact OD1-NH1 2.78Å; D28-R31 PolarHBondContact OD1-NH1 3.28Å; D28-R31 VanDerWaalsContact OD1-NH1 3.09Å; D28-S32 WeakPolarHBondContact O-CB 3.26Å; D28-S32 PolarHBondContact O-N 3.27Å |
| 29 | L | 79.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 172.4 | -173.4 | 119.4 | 0 | 0 | 0 | 111.1 | L15 A17 Q25 F26 A33 | L15-L29 HydrophobicContact CB-CD2 3.93Å; L15-L29 HydrophobicContact CD1-CD2 3.38Å; L15-L29 HydrophobicContact CD1-CG 4.09Å; L15-L29 HydrophobicContact CG-CD2 4.24Å; A17-L29 HydrophobicContact CB-CD1 4.42Å; Q25-L29 VanDerWaalsContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.69Å; F26-L29 WeakPolarHBondContact O-CB 3.19Å; F26-L29 PolarHBondContact O-N 3.48Å; L29-A33 WeakPolarHBondContact O-CB 3.15Å; L29-A33 PolarHBondContact O-N 3.45Å |
| 30 | V | 77.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -51 | 174.3 | 163.3 | 0 | 0 | 0 | 0 | 111.2 | F7 F26 H27 S32 A33 C34 F42 V73 | F7-V30 HydrophobicContact CE1-CB 4.49Å; F7-V30 HydrophobicContact CE1-CG1 3.97Å; F7-V30 HydrophobicContact CE1-CG2 4.26Å; F7-V30 HydrophobicContact CZ-CG2 4.45Å; F26-V30 HydrophobicContact CD1-CG2 4.45Å; F26-V30 HydrophobicContact CD2-CG2 4.41Å; F26-V30 HydrophobicContact CE1-CG2 3.95Å; F26-V30 HydrophobicContact CE2-CG2 3.9Å; F26-V30 HydrophobicContact CZ-CG2 3.62Å; F26-V30 WeakPolarHBondContact O-CB 3.26Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 2.65Å; H27-V30 PolarHBondContact O-N 3.41Å; V30-S32 VanDerWaalsContact C-N 3.32Å; V30-S32 PolarHBondContact O-N 2.9Å; V30-A33 PolarHBondContact O-N 2.89Å; V30-A33 VanDerWaalsContact O-N 3.14Å; V30-C34 VanDerWaalsContact O-CB 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.19Å; V30-C34 PolarHBondContact O-N 3.17Å; V30-C34 PolarHBondContact O-SG 2.77Å; V30-F42 HydrophobicContact CB-CE2 4.1Å; V30-F42 HydrophobicContact CB-CZ 4.22Å; V30-F42 HydrophobicContact CG1-CD2 3.81Å; V30-F42 HydrophobicContact CG1-CE1 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.36Å; V30-F42 HydrophobicContact CG1-CZ 3.75Å; V30-V73 HydrophobicContact CG1-CG1 4Å; V30-V73 HydrophobicContact CG1-CG2 4.27Å |
| 31 | R | 79.8 | Confident | 78.2 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 25% | 0.253 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57 | -47.7 | 178.1 | -76.2 | -175.1 | -174.7 | 115.6 | 1.3 | 111.2 | H27 D28 A33 C34 Q35 L36 F42 | H27-R31 WeakPolarHBondContact O-CB 3.44Å; H27-R31 WeakPolarHBondContact O-CG 3.42Å; H27-R31 PolarHBondContact O-N 2.85Å; D28-R31 PolarHBondContact O-N 3.38Å; D28-R31 IonicContact OD1-NH1 2.78Å; D28-R31 PolarHBondContact OD1-NH1 3.28Å; D28-R31 VanDerWaalsContact OD1-NH1 3.09Å; R31-A33 PolarHBondContact O-N 3.26Å; R31-C34 PolarHBondContact O-N 2.8Å; R31-Q35 WeakPolarHBondContact O-CA 3.36Å; R31-Q35 PolarHBondContact O-N 2.97Å; R31-L36 HydrophobicContact CB-CB 4.46Å; R31-L36 HydrophobicContact CG-CB 4.32Å; R31-L36 PolarHBondContact O-N 2.85Å; R31-F42 HydrophobicContact CG-CD1 4.41Å; R31-F42 HydrophobicContact CG-CE1 3.63Å; R31-F42 HydrophobicContact CG-CZ 4.27Å |
| 32 | S | 75.1 | Confident | 78.6 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | D28 V30 Q35 R105 | D28-S32 WeakPolarHBondContact O-CB 3.26Å; D28-S32 PolarHBondContact O-N 3.27Å; V30-S32 VanDerWaalsContact C-N 3.32Å; V30-S32 PolarHBondContact O-N 2.9Å; S32-Q35 PolarHBondContact O-N 3.45Å; S32-R105 PolarHBondContact O-NH1 3.33Å; S32-R105 PolarHBondContact OG-NH1 2.91Å; S32-R105 PolarHBondContact OG-NH2 3.14Å |
| 33 | A | 70.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F7 M13 L15 L29 V30 R31 R105 | F7-A33 HydrophobicContact CZ-CB 4.26Å; M13-A33 HydrophobicContact CE-CB 4.42Å; M13-A33 WeakPolarHBondContact CE-O 3.36Å; L15-A33 HydrophobicContact CD1-CB 3.56Å; L15-A33 HydrophobicContact CD2-CB 3.72Å; L15-A33 HydrophobicContact CG-CB 4.25Å; L29-A33 WeakPolarHBondContact O-CB 3.15Å; L29-A33 PolarHBondContact O-N 3.45Å; V30-A33 PolarHBondContact O-N 2.89Å; V30-A33 VanDerWaalsContact O-N 3.14Å; R31-A33 PolarHBondContact O-N 3.26Å; A33-R105 VanDerWaalsContact CA-NH1 3.26Å; A33-R105 VanDerWaalsContact N-NH1 3.14Å |
| 34 | C | 69.1 | Low | 78.2 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 27% | 0.27 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -87.9 | -7.5 | -178.5 | -60 | 0 | 0 | 0 | 0 | 114 | F7 V30 R31 L36 | F7-C34 WeakPolarHBondContact CD1-SG 3.48Å; F7-C34 WeakPolarHBondContact CE1-SG 3.39Å; V30-C34 VanDerWaalsContact O-CB 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.19Å; V30-C34 PolarHBondContact O-N 3.17Å; V30-C34 PolarHBondContact O-SG 2.77Å; R31-C34 PolarHBondContact O-N 2.8Å; C34-L36 HydrophobicContact CB-CB 4.47Å; C34-L36 HydrophobicContact CB-CD1 3.74Å; C34-L36 HydrophobicContact CB-CD2 4.41Å; C34-L36 HydrophobicContact CB-CG 3.52Å; C34-L36 PolarHBondContact O-N 2.9Å |
| 35 | Q | 70 | Confident | 77.9 | Confident | 120 Ų | 120 | 57.6 Ų | 57.6 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.7 | -169.5 | -53.4 | 173.5 | 18.3 | 0 | 0 | 112.1 | R31 S32 V165 | R31-Q35 WeakPolarHBondContact O-CA 3.36Å; R31-Q35 PolarHBondContact O-N 2.97Å; S32-Q35 PolarHBondContact O-N 3.45Å; Q35-V165 HydrophobicContact CB-CG2 4.49Å |
| 36 | L | 71.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | trans | -75.1 | 137.8 | 175.8 | -67 | 165.8 | 0 | 0 | 0 | 109.6 | R31 C34 M40 F42 | R31-L36 HydrophobicContact CB-CB 4.46Å; R31-L36 HydrophobicContact CG-CB 4.32Å; R31-L36 PolarHBondContact O-N 2.85Å; C34-L36 HydrophobicContact CB-CB 4.47Å; C34-L36 HydrophobicContact CB-CD1 3.74Å; C34-L36 HydrophobicContact CB-CD2 4.41Å; C34-L36 HydrophobicContact CB-CG 3.52Å; C34-L36 PolarHBondContact O-N 2.9Å; L36-M40 HydrophobicContact CD2-CE 4.38Å; L36-M40 HydrophobicContact CD2-CG 4.3Å; L36-M40 HydrophobicContact CD2-SD 3.65Å; L36-F42 HydrophobicContact CD1-CB 3.8Å; L36-F42 HydrophobicContact CD1-CD1 3.62Å; L36-F42 HydrophobicContact CD1-CE1 4.33Å; L36-F42 HydrophobicContact CD1-CG 3.72Å | ||
| 37 | D | 75.6 | Confident | 76.7 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | trans | -57.8 | 144.4 | 168.6 | -168.9 | -67 | 0 | 0 | 0 | 109.4 | K39 M40 | D37-K39 PolarHBondContact O-N 3.26Å; D37-K39 PolarHBondContact OD1-N 3.11Å; D37-M40 HydrophobicContact CB-CB 4.08Å; D37-M40 PolarHBondContact O-N 2.78Å | ||
| 38 | I | 76.6 | Confident | 75.8 | Confident | 130 Ų | 130 | 55.8 Ų | 55.8 | 67% | 0.667 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.2 | -178.2 | -140.8 | 162.3 | 0 | 0 | 0 | 112 | ||
| 39 | K | 76.7 | Confident | 74.8 | Confident | 185 Ų | 185 | 59.4 Ų | 59.4 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -9.7 | 177.6 | -62.5 | -174.1 | -179 | -179.2 | 0 | 114 | D37 P41 | D37-K39 PolarHBondContact O-N 3.26Å; D37-K39 PolarHBondContact OD1-N 3.11Å; K39-P41 WeakPolarHBondContact O-CD 3.24Å |
| 40 | M | 77.8 | Confident | 73.9 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | trans | -76.9 | 119.6 | -178.5 | -172.5 | 171.3 | -177.6 | 0 | 0 | 109.8 | L36 D37 P75 | L36-M40 HydrophobicContact CD2-CE 4.38Å; L36-M40 HydrophobicContact CD2-CG 4.3Å; L36-M40 HydrophobicContact CD2-SD 3.65Å; D37-M40 HydrophobicContact CB-CB 4.08Å; D37-M40 PolarHBondContact O-N 2.78Å; M40-P75 HydrophobicContact CE-CB 3.96Å | ||
| 41 | P | 80.2 | Confident | 73.1 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | trans | -71.3 | 145 | 176 | 29.6 | -33.1 | 0 | 0 | 0 | 110.5 | K39 G76 V77 | K39-P41 WeakPolarHBondContact O-CD 3.24Å; P41-G76 WeakPolarHBondContact O-CA 3.47Å; P41-G76 PolarHBondContact O-N 3.22Å; P41-V77 HydrophobicContact CB-CG2 3.83Å | ||
| 42 | F | 83.9 | Confident | 72.3 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.5 | 173.3 | 66.1 | -85.7 | 0 | 0 | 0 | 109.5 | H27 V30 R31 L36 V44 V73 F74 G76 | H27-F42 HydrophobicContact CB-CZ 3.96Å; H27-F42 AromaticContact CD2-CE2 3.98Å; H27-F42 AromaticContact CD2-CZ 3.81Å; H27-F42 AromaticContact CG-CZ 3.91Å; V30-F42 HydrophobicContact CB-CE2 4.1Å; V30-F42 HydrophobicContact CB-CZ 4.22Å; V30-F42 HydrophobicContact CG1-CD2 3.81Å; V30-F42 HydrophobicContact CG1-CE1 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.36Å; V30-F42 HydrophobicContact CG1-CZ 3.75Å; R31-F42 HydrophobicContact CG-CD1 4.41Å; R31-F42 HydrophobicContact CG-CE1 3.63Å; R31-F42 HydrophobicContact CG-CZ 4.27Å; L36-F42 HydrophobicContact CD1-CB 3.8Å; L36-F42 HydrophobicContact CD1-CD1 3.62Å; L36-F42 HydrophobicContact CD1-CE1 4.33Å; L36-F42 HydrophobicContact CD1-CG 3.72Å; F42-V44 HydrophobicContact CD2-CG2 3.78Å; F42-V44 HydrophobicContact CE2-CG2 3.56Å; F42-V73 HydrophobicContact CB-CG1 4.36Å; F42-V73 HydrophobicContact CD2-CG1 3.85Å; F42-V73 HydrophobicContact CG-CG1 4.44Å; F42-F74 CarbonylContact C-O 3.55Å; F42-F74 WeakPolarHBondContact CA-O 3.49Å; F42-F74 WeakPolarHBondContact CB-O 3.43Å; F42-G76 CarbonylContact C-O 3.52Å; F42-G76 VanDerWaalsContact C-O 3.31Å; F42-G76 WeakPolarHBondContact CA-O 3.34Å |
| 43 | T | 80.3 | Confident | 72 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.7 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 108.4 | K45 T55 V73 F74 G76 | T43-K45 HydrophobicContact CG2-CG 4.05Å; T43-T55 HydrophobicContact CG2-CG2 3.71Å; T43-V73 CarbonylContact O-C 3.45Å; T43-V73 WeakPolarHBondContact O-CA 3.45Å; T43-F74 PolarHBondContact N-O 2.94Å; T43-F74 PolarHBondContact O-N 3.23Å; T43-G76 PolarHBondContact N-O 2.93Å; T43-G76 VanDerWaalsContact N-O 3.16Å; T43-G76 PolarHBondContact OG1-O 3.3Å |
| 44 | V | 80.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.7 | 168.3 | -173.5 | 0 | 0 | 0 | 0 | 107.7 | F26 F42 T55 I56 L71 L72 V73 | F26-V44 HydrophobicContact CE1-CB 4.34Å; F26-V44 HydrophobicContact CE1-CG1 4.04Å; F26-V44 HydrophobicContact CE1-CG2 4Å; F26-V44 HydrophobicContact CZ-CG1 4.1Å; F42-V44 HydrophobicContact CD2-CG2 3.78Å; F42-V44 HydrophobicContact CE2-CG2 3.56Å; V44-T55 CarbonylContact O-C 3.54Å; V44-T55 WeakPolarHBondContact O-CA 3.45Å; V44-I56 HydrophobicContact CB-CB 4.3Å; V44-I56 HydrophobicContact CG1-CD1 3.87Å; V44-I56 HydrophobicContact CG1-CG1 4.3Å; V44-I56 PolarHBondContact O-N 2.99Å; V44-L71 HydrophobicContact CG1-CB 4.3Å; V44-L72 CarbonylContact C-O 3.46Å; V44-L72 VanDerWaalsContact CA-O 3.31Å; V44-L72 WeakPolarHBondContact CA-O 3.29Å; V44-V73 HydrophobicContact CB-CG2 4.41Å; V44-V73 HydrophobicContact CG1-CG2 4.1Å; V44-V73 HydrophobicContact CG2-CG1 4.38Å; V44-V73 HydrophobicContact CG2-CG2 3.87Å |
| 45 | K | 77.8 | Confident | 72.7 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.1 | 172.2 | -57.4 | -167.4 | 174.1 | -171.2 | 0 | 110.6 | T43 P53 C54 L71 L72 F74 E88 | T43-K45 HydrophobicContact CG2-CG 4.05Å; K45-P53 HydrophobicContact CD-CB 4.23Å; K45-C54 CarbonylContact C-O 3.36Å; K45-C54 WeakPolarHBondContact CA-O 3.15Å; K45-C54 WeakPolarHBondContact CB-O 3.43Å; K45-L71 CarbonylContact O-C 3.56Å; K45-L72 PolarHBondContact N-O 3.05Å; K45-L72 PolarHBondContact O-N 2.96Å; K45-F74 HydrophobicContact CB-CE2 4.06Å; K45-F74 HydrophobicContact CD-CD2 4.23Å; K45-F74 HydrophobicContact CD-CE2 3.89Å; K45-F74 HydrophobicContact CG-CD2 4.07Å; K45-F74 HydrophobicContact CG-CE2 3.94Å; K45-E88 VanDerWaalsContact CE-OE2 3.24Å; K45-E88 WeakPolarHBondContact CE-OE2 3.4Å; K45-E88 IonicContact NZ-OE1 2.7Å; K45-E88 PolarHBondContact NZ-OE1 2.76Å; K45-E88 IonicContact NZ-OE2 3.76Å; K45-E88 PolarHBondContact NZ-OE2 2.73Å |
| 46 | W | 74.3 | Confident | 73.2 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 11% | 0.106 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 166.8 | 169.7 | 69.5 | -71.6 | 0 | 0 | 0 | 108.3 | D48 P53 C54 I56 E64 A65 L68 L71 | W46-D48 HydrophobicContact CH2-CB 3.93Å; W46-D48 HydrophobicContact CZ2-CB 4.43Å; W46-D48 HydrophobicContact CZ3-CB 4.08Å; W46-P53 CarbonylContact O-C 3.52Å; W46-P53 WeakPolarHBondContact O-CA 3.26Å; W46-C54 HydrophobicContact CD2-CB 4.42Å; W46-C54 HydrophobicContact CG-CB 4.38Å; W46-C54 HydrophobicContact CZ2-CB 4.34Å; W46-C54 PolarHBondContact N-O 2.81Å; W46-C54 VanDerWaalsContact NE1-CB 3.31Å; W46-C54 PolarHBondContact O-N 2.84Å; W46-I56 HydrophobicContact CG-CG1 4.4Å; W46-E64 HydrophobicContact CZ2-CB 4.48Å; W46-A65 HydrophobicContact CB-CB 3.84Å; W46-A65 HydrophobicContact CD2-CB 3.7Å; W46-A65 HydrophobicContact CE3-CB 4.16Å; W46-A65 HydrophobicContact CG-CB 3.56Å; W46-L68 HydrophobicContact CE3-CB 4.37Å; W46-L68 HydrophobicContact CE3-CD1 4.37Å; W46-L68 HydrophobicContact CH2-CD1 4.04Å; W46-L68 HydrophobicContact CZ3-CB 4.17Å; W46-L68 HydrophobicContact CZ3-CD1 3.39Å; W46-L68 HydrophobicContact CZ3-CG 4.36Å; W46-L71 HydrophobicContact CB-CD2 3.67Å |
| 47 | I | 67.5 | Low | 73.7 | Confident | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.8 | 177.1 | -64 | -69.2 | 0 | 0 | 0 | 107.4 | D52 P53 Y93 | I47-D52 WeakPolarHBondContact CA-O 3.4Å; I47-P53 HydrophobicContact CD1-CB 3.95Å; I47-Y93 HydrophobicContact CD1-CD1 3.2Å; I47-Y93 HydrophobicContact CD1-CE1 3.59Å; I47-Y93 HydrophobicContact CD1-CG 3.92Å; I47-Y93 HydrophobicContact CG1-CD1 3.87Å; I47-Y93 HydrophobicContact CG1-CE1 4.36Å |
| 48 | D | 66.3 | Low | 74.1 | Confident | 29 Ų | 29 | 64 Ų | 64 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | trans | -73.8 | -175.7 | 175.4 | 60 | 25.9 | 0 | 0 | 0 | 112.2 | W46 E50 G51 D52 C54 | W46-D48 HydrophobicContact CH2-CB 3.93Å; W46-D48 HydrophobicContact CZ2-CB 4.43Å; W46-D48 HydrophobicContact CZ3-CB 4.08Å; D48-E50 PolarHBondContact O-N 3.26Å; D48-E50 PolarHBondContact OD1-N 2.84Å; D48-E50 VanDerWaalsContact OD1-N 3.16Å; D48-G51 PolarHBondContact O-N 2.95Å; D48-G51 PolarHBondContact OD1-N 2.96Å; D48-D52 PolarHBondContact N-O 2.81Å; D48-D52 VanDerWaalsContact N-O 3.16Å; D48-D52 PolarHBondContact OD1-N 2.92Å; D48-D52 WeakPolarHBondContact OD2-CB 3.48Å; D48-C54 PolarHBondContact OD2-SG 2.86Å | ||
| 49 | E | 59.7 | Low | 74.5 | Confident | 162 Ų | 162 | 61.2 Ų | 61.2 | 76% | 0.757 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.2 | -177.5 | -61.3 | -171.2 | 166.6 | 0 | 0 | 112 | L68 | E49-L68 HydrophobicContact CG-CD1 4.07Š|
| 50 | E | 60.5 | Low | 74.7 | Confident | 150 Ų | 150 | 58.2 Ų | 58.2 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.6 | 177 | -63.5 | 81.3 | -172.7 | 0 | 0 | 113.7 | D48 | D48-E50 PolarHBondContact O-N 3.26Å; D48-E50 PolarHBondContact OD1-N 2.84Å; D48-E50 VanDerWaalsContact OD1-N 3.16Å |
| 51 | G | 61.5 | Low | 74.8 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 91.3 | 8.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D48 | D48-G51 PolarHBondContact O-N 2.95Å; D48-G51 PolarHBondContact OD1-N 2.96Å |
| 52 | D | 63.7 | Low | 74.8 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | trans | -88.6 | 139.7 | -178.5 | -77.4 | -39.7 | 0 | 0 | 0 | 111.7 | I47 D48 C54 | I47-D52 WeakPolarHBondContact CA-O 3.4Å; D48-D52 PolarHBondContact N-O 2.81Å; D48-D52 VanDerWaalsContact N-O 3.16Å; D48-D52 PolarHBondContact OD1-N 2.92Å; D48-D52 WeakPolarHBondContact OD2-CB 3.48Å; D52-C54 PolarHBondContact O-N 2.96Å | ||
| 53 | P | 68.9 | Low | 74.6 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 104.2 | 179.6 | 30.5 | -33.4 | 0 | 0 | 0 | 111.5 | K45 W46 I47 Y93 | K45-P53 HydrophobicContact CD-CB 4.23Å; W46-P53 CarbonylContact O-C 3.52Å; W46-P53 WeakPolarHBondContact O-CA 3.26Å; I47-P53 HydrophobicContact CD1-CB 3.95Å; P53-Y93 HydrophobicContact CB-CE1 3.73Å; P53-Y93 HydrophobicContact CB-CE2 4.19Å; P53-Y93 WeakPolarHBondContact CB-OH 3.46Å; P53-Y93 HydrophobicContact CG-CE2 4.19Å |
| 54 | C | 71 | Confident | 74.2 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135 | 176.8 | -80.2 | 0 | 0 | 0 | 0 | 112.2 | K45 W46 D48 D52 | K45-C54 CarbonylContact C-O 3.36Å; K45-C54 WeakPolarHBondContact CA-O 3.15Å; K45-C54 WeakPolarHBondContact CB-O 3.43Å; W46-C54 HydrophobicContact CD2-CB 4.42Å; W46-C54 HydrophobicContact CG-CB 4.38Å; W46-C54 HydrophobicContact CZ2-CB 4.34Å; W46-C54 PolarHBondContact N-O 2.81Å; W46-C54 VanDerWaalsContact NE1-CB 3.31Å; W46-C54 PolarHBondContact O-N 2.84Å; D48-C54 PolarHBondContact OD2-SG 2.86Å; D52-C54 PolarHBondContact O-N 2.96Å |
| 55 | T | 81.7 | Confident | 73.7 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 139.4 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | T43 V44 | T43-T55 HydrophobicContact CG2-CG2 3.71Å; V44-T55 CarbonylContact O-C 3.54Å; V44-T55 WeakPolarHBondContact O-CA 3.45Å |
| 56 | I | 81.2 | Confident | 73.3 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | trans | -87.9 | 107 | 168.4 | -55.2 | -175.1 | 0 | 0 | 0 | 108.6 | L23 V44 W46 E61 L62 A65 L71 | L23-I56 HydrophobicContact CD1-CG2 3.88Å; V44-I56 HydrophobicContact CB-CB 4.3Å; V44-I56 HydrophobicContact CG1-CD1 3.87Å; V44-I56 HydrophobicContact CG1-CG1 4.3Å; V44-I56 PolarHBondContact O-N 2.99Å; W46-I56 HydrophobicContact CG-CG1 4.4Å; I56-E61 HydrophobicContact CG2-CB 4.35Å; I56-L62 HydrophobicContact CD1-CD1 4.29Å; I56-L62 HydrophobicContact CG2-CB 3.86Å; I56-L62 HydrophobicContact CG2-CD1 4.39Å; I56-A65 HydrophobicContact CD1-CB 3.63Å; I56-A65 HydrophobicContact CG1-CB 4.34Å; I56-L71 HydrophobicContact CD1-CD1 4.46Å; I56-L71 HydrophobicContact CD1-CD2 3.47Å; I56-L71 VanDerWaalsContact CD1-CD2 3.47Å | ||
| 57 | S | 81.1 | Confident | 72.6 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | trans | -122.1 | -13.5 | 179.2 | 69 | 0 | 0 | 0 | 0 | 113.4 | E61 | S57-E61 WeakPolarHBondContact CA-OE2 3.44Å; S57-E61 PolarHBondContact N-OE2 2.77Å; S57-E61 PolarHBondContact OG-OE2 3.17Å | ||
| 58 | S | 83.9 | Confident | 72 | Confident | 41 Ų | 41 | 70 Ų | 70 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -134.5 | 161.4 | -178.4 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | L60 E61 L62 | S58-L60 PolarHBondContact O-N 2.79Å; S58-E61 PolarHBondContact N-OE2 2.86Å; S58-E61 PolarHBondContact O-N 3.47Å; S58-E61 WeakPolarHBondContact OG-CG 3.49Å; S58-E61 PolarHBondContact OG-N 3.5Å; S58-E61 PolarHBondContact OG-OE2 3.11Å; S58-L62 PolarHBondContact O-N 2.8Å |
| 59 | Q | 85.2 | Confident | 71.5 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 175 | -174.5 | 67.2 | 59.7 | 0 | 0 | 112.2 | L21 T22 L62 N63 | L21-Q59 PolarHBondContact O-NE2 3.24Å; L21-Q59 VanDerWaalsContact O-NE2 3.09Å; T22-Q59 VanDerWaalsContact CA-OE1 3.29Å; Q59-L62 PolarHBondContact O-N 3.42Å; Q59-N63 PolarHBondContact NE2-OD1 3.47Å; Q59-N63 WeakPolarHBondContact O-CB 3.47Å; Q59-N63 PolarHBondContact O-N 2.97Å; Q59-N63 PolarHBondContact O-ND2 3.1Å; Q59-N63 PolarHBondContact O-OD1 3.33Å |
| 60 | L | 81.1 | Confident | 71.6 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.2 | -48.8 | 178.1 | -176.6 | 66.1 | 0 | 0 | 0 | 110.7 | S58 L62 N63 E64 | S58-L60 PolarHBondContact O-N 2.79Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.81Å; L60-N63 PolarHBondContact O-N 3.13Å; L60-E64 PolarHBondContact O-N 3.13Å |
| 61 | E | 80.5 | Confident | 71.9 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 176.2 | -69.9 | 162.1 | 166.1 | 0 | 0 | 111.7 | I56 S57 S58 E64 A65 | I56-E61 HydrophobicContact CG2-CB 4.35Å; S57-E61 WeakPolarHBondContact CA-OE2 3.44Å; S57-E61 PolarHBondContact N-OE2 2.77Å; S57-E61 PolarHBondContact OG-OE2 3.17Å; S58-E61 PolarHBondContact N-OE2 2.86Å; S58-E61 PolarHBondContact O-N 3.47Å; S58-E61 WeakPolarHBondContact OG-CG 3.49Å; S58-E61 PolarHBondContact OG-N 3.5Å; S58-E61 PolarHBondContact OG-OE2 3.11Å; E61-E64 PolarHBondContact O-N 2.8Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 3.25Å |
| 62 | L | 81 | Confident | 72.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175 | 178.4 | 61.9 | 0 | 0 | 0 | 111.6 | L23 F26 I56 S58 Q59 L60 A65 F66 | L23-L62 HydrophobicContact CB-CD2 4.2Å; L23-L62 HydrophobicContact CD1-CB 4.16Å; L23-L62 HydrophobicContact CD1-CD2 3.92Å; F26-L62 HydrophobicContact CB-CD1 4.25Å; F26-L62 HydrophobicContact CB-CD2 3.64Å; F26-L62 HydrophobicContact CD1-CD1 3.62Å; F26-L62 HydrophobicContact CD1-CD2 4.22Å; F26-L62 HydrophobicContact CD2-CD1 4Å; F26-L62 HydrophobicContact CE1-CD1 3.92Å; F26-L62 HydrophobicContact CE2-CD1 4.28Å; F26-L62 HydrophobicContact CG-CD1 3.66Å; F26-L62 HydrophobicContact CG-CD2 3.99Å; F26-L62 HydrophobicContact CZ-CD1 4.26Å; I56-L62 HydrophobicContact CD1-CD1 4.29Å; I56-L62 HydrophobicContact CG2-CB 3.86Å; I56-L62 HydrophobicContact CG2-CD1 4.39Å; S58-L62 PolarHBondContact O-N 2.8Å; Q59-L62 PolarHBondContact O-N 3.42Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.81Å; L62-A65 PolarHBondContact O-N 2.78Å; L62-F66 HydrophobicContact CD1-CD2 3.86Å; L62-F66 HydrophobicContact CD1-CE2 3.35Å; L62-F66 HydrophobicContact CD1-CZ 3.8Å; L62-F66 HydrophobicContact CD2-CE2 3.93Å; L62-F66 HydrophobicContact CG-CD2 3.81Å; L62-F66 HydrophobicContact CG-CE2 3.43Å; L62-F66 VanDerWaalsContact CG-CE2 3.43Å; L62-F66 HydrophobicContact CG-CZ 4.34Å; L62-F66 WeakPolarHBondContact O-CD2 3.43Å; L62-F66 WeakPolarHBondContact O-CG 3.46Å; L62-F66 PolarHBondContact O-N 3.33Å |
| 63 | N | 79 | Confident | 72.6 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 178.5 | -68.7 | -15 | 0 | 0 | 0 | 112 | Q59 L60 F66 | Q59-N63 PolarHBondContact NE2-OD1 3.47Å; Q59-N63 WeakPolarHBondContact O-CB 3.47Å; Q59-N63 PolarHBondContact O-N 2.97Å; Q59-N63 PolarHBondContact O-ND2 3.1Å; Q59-N63 PolarHBondContact O-OD1 3.33Å; L60-N63 PolarHBondContact O-N 3.13Å; N63-F66 PolarHBondContact O-N 3.33Å |
| 64 | E | 72.3 | Confident | 72.7 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 38% | 0.379 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 175.1 | -77.1 | -54.2 | 137 | 0 | 0 | 112.1 | W46 L60 E61 F66 R67 | W46-E64 HydrophobicContact CZ2-CB 4.48Å; L60-E64 PolarHBondContact O-N 3.13Å; E61-E64 PolarHBondContact O-N 2.8Å; E64-F66 PolarHBondContact O-N 2.82Å; E64-R67 WeakPolarHBondContact O-CB 3.16Å; E64-R67 PolarHBondContact O-N 3.39Å |
| 65 | A | 70.4 | Confident | 72.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -30.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W46 I56 E61 L62 R67 L68 S69 L71 | W46-A65 HydrophobicContact CB-CB 3.84Å; W46-A65 HydrophobicContact CD2-CB 3.7Å; W46-A65 HydrophobicContact CE3-CB 4.16Å; W46-A65 HydrophobicContact CG-CB 3.56Å; I56-A65 HydrophobicContact CD1-CB 3.63Å; I56-A65 HydrophobicContact CG1-CB 4.34Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 3.25Å; L62-A65 PolarHBondContact O-N 2.78Å; A65-R67 PolarHBondContact O-N 2.81Å; A65-L68 PolarHBondContact O-N 2.77Å; A65-L68 VanDerWaalsContact O-N 3.16Å; A65-S69 PolarHBondContact O-N 2.93Å; A65-L71 HydrophobicContact CB-CD2 3.57Å |
| 66 | F | 68 | Low | 72.2 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -19.5 | 171.7 | -81.6 | -52.1 | 0 | 0 | 0 | 114.2 | Y3 L21 F26 L62 N63 E64 | Y3-F66 AromaticContact CD1-CD1 3.55Å; Y3-F66 HydrophobicContact CD1-CD1 3.55Å; Y3-F66 AromaticContact CD1-CE1 3.99Å; Y3-F66 HydrophobicContact CD1-CE1 3.99Å; Y3-F66 HydrophobicContact CD2-CD1 4.35Å; Y3-F66 HydrophobicContact CD2-CE1 4.1Å; Y3-F66 HydrophobicContact CE1-CB 4.31Å; Y3-F66 AromaticContact CE1-CD1 3.47Å; Y3-F66 HydrophobicContact CE1-CD1 3.47Å; Y3-F66 VanDerWaalsContact CE1-CD1 3.47Å; Y3-F66 HydrophobicContact CE1-CE1 4.17Å; Y3-F66 HydrophobicContact CE1-CG 4.26Å; Y3-F66 HydrophobicContact CE2-CD1 4.27Å; Y3-F66 HydrophobicContact CE2-CE1 4.25Å; Y3-F66 HydrophobicContact CG-CD1 4Å; Y3-F66 AromaticContact CG-CE1 3.95Å; Y3-F66 HydrophobicContact CG-CE1 3.95Å; Y3-F66 AromaticContact CZ-CD1 3.83Å; L21-F66 HydrophobicContact CB-CE2 4.31Å; L21-F66 HydrophobicContact CB-CZ 4.44Å; F26-F66 AromaticContact CD2-CZ 4Å; F26-F66 HydrophobicContact CD2-CZ 4Å; F26-F66 HydrophobicContact CE2-CZ 4.41Å; L62-F66 HydrophobicContact CD1-CD2 3.86Å; L62-F66 HydrophobicContact CD1-CE2 3.35Å; L62-F66 HydrophobicContact CD1-CZ 3.8Å; L62-F66 HydrophobicContact CD2-CE2 3.93Å; L62-F66 HydrophobicContact CG-CD2 3.81Å; L62-F66 HydrophobicContact CG-CE2 3.43Å; L62-F66 VanDerWaalsContact CG-CE2 3.43Å; L62-F66 HydrophobicContact CG-CZ 4.34Å; L62-F66 WeakPolarHBondContact O-CD2 3.43Å; L62-F66 WeakPolarHBondContact O-CG 3.46Å; L62-F66 PolarHBondContact O-N 3.33Å; N63-F66 PolarHBondContact O-N 3.33Å; E64-F66 PolarHBondContact O-N 2.82Å |
| 67 | R | 60.6 | Low | 71.9 | Confident | 192 Ų | 192 | 55 Ų | 55 | 73% | 0.725 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.8 | -30.1 | 170.1 | -73.5 | 179.8 | 79.1 | 155.7 | -1.3 | 112.7 | E64 A65 | E64-R67 WeakPolarHBondContact O-CB 3.16Å; E64-R67 PolarHBondContact O-N 3.39Å; A65-R67 PolarHBondContact O-N 2.81Å |
| 68 | L | 53.5 | Low | 71.6 | Confident | 69 Ų | 69 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -109.5 | 11.6 | -163.8 | -67.9 | 165.7 | 0 | 0 | 0 | 114.9 | W46 E49 A65 L70 | W46-L68 HydrophobicContact CE3-CB 4.37Å; W46-L68 HydrophobicContact CE3-CD1 4.37Å; W46-L68 HydrophobicContact CH2-CD1 4.04Å; W46-L68 HydrophobicContact CZ3-CB 4.17Å; W46-L68 HydrophobicContact CZ3-CD1 3.39Å; W46-L68 HydrophobicContact CZ3-CG 4.36Å; E49-L68 HydrophobicContact CG-CD1 4.07Å; A65-L68 PolarHBondContact O-N 2.77Å; A65-L68 VanDerWaalsContact O-N 3.16Å; L68-L70 PolarHBondContact O-N 3.35Å; L68-L70 VanDerWaalsContact O-N 3.13Å |
| 69 | S | 56.8 | Low | 71.1 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | trans | 75.1 | -15.7 | 156.9 | -45.2 | 0 | 0 | 0 | 0 | 119.2 | A65 | A65-S69 PolarHBondContact O-N 2.93Š| ||
| 70 | L | 61.3 | Low | 70.4 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.7 | -175.7 | -163.7 | 72.9 | 0 | 0 | 0 | 114.3 | R6 L68 | R6-L70 HydrophobicContact CG-CD1 3.87Å; L68-L70 PolarHBondContact O-N 3.35Å; L68-L70 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 67.9 | Low | 69.7 | Low | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145 | 177.8 | -59.7 | -178.5 | 0 | 0 | 0 | 110.2 | T5 R6 F26 V44 K45 W46 I56 A65 | T5-L71 HydrophobicContact CG2-CB 3.88Å; R6-L71 WeakPolarHBondContact CA-O 3.45Å; R6-L71 WeakPolarHBondContact CB-O 3.34Å; R6-L71 PolarHBondContact N-O 3.47Å; F26-L71 HydrophobicContact CE2-CD1 3.69Å; F26-L71 HydrophobicContact CZ-CD1 3.51Å; V44-L71 HydrophobicContact CG1-CB 4.3Å; K45-L71 CarbonylContact O-C 3.56Å; W46-L71 HydrophobicContact CB-CD2 3.67Å; I56-L71 HydrophobicContact CD1-CD1 4.46Å; I56-L71 HydrophobicContact CD1-CD2 3.47Å; I56-L71 VanDerWaalsContact CD1-CD2 3.47Å; A65-L71 HydrophobicContact CB-CD2 3.57Å |
| 72 | L | 67.6 | Low | 68.9 | Low | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.7 | 179.9 | -76.4 | 158.2 | 0 | 0 | 0 | 109.5 | R6 V44 K45 F74 V92 Y93 | R6-L72 HydrophobicContact CB-CD2 3.59Å; R6-L72 HydrophobicContact CB-CG 4.29Å; R6-L72 HydrophobicContact CG-CD2 4.39Å; R6-L72 CarbonylContact O-C 3.59Å; R6-L72 VanDerWaalsContact O-CA 3.25Å; R6-L72 WeakPolarHBondContact O-CA 2.96Å; V44-L72 CarbonylContact C-O 3.46Å; V44-L72 VanDerWaalsContact CA-O 3.31Å; V44-L72 WeakPolarHBondContact CA-O 3.29Å; K45-L72 PolarHBondContact N-O 3.05Å; K45-L72 PolarHBondContact O-N 2.96Å; L72-F74 HydrophobicContact CB-CE2 3.81Å; L72-F74 HydrophobicContact CB-CZ 4.22Å; L72-V92 HydrophobicContact CD2-CG1 4.13Å; L72-Y93 HydrophobicContact CD1-CD1 3.62Å; L72-Y93 HydrophobicContact CD1-CE1 3.31Å |
| 73 | V | 70.7 | Confident | 68.4 | Low | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.1 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | T5 R6 F7 W8 V30 F42 T43 V44 | T5-V73 HydrophobicContact CG2-CG2 3.86Å; R6-V73 PolarHBondContact O-N 2.86Å; F7-V73 HydrophobicContact CD1-CB 3.37Å; F7-V73 HydrophobicContact CD1-CG1 3.93Å; F7-V73 HydrophobicContact CD1-CG2 3.44Å; F7-V73 VanDerWaalsContact CD1-CG2 3.44Å; F7-V73 HydrophobicContact CE1-CB 3.79Å; F7-V73 HydrophobicContact CE1-CG1 4.22Å; F7-V73 HydrophobicContact CE1-CG2 3.31Å; F7-V73 HydrophobicContact CG-CB 4.31Å; F7-V73 HydrophobicContact CG-CG2 4.43Å; F7-V73 HydrophobicContact CZ-CG2 4.24Å; W8-V73 WeakPolarHBondContact CB-O 3.47Å; W8-V73 PolarHBondContact N-O 2.7Å; V30-V73 HydrophobicContact CG1-CG1 4Å; V30-V73 HydrophobicContact CG1-CG2 4.27Å; F42-V73 HydrophobicContact CB-CG1 4.36Å; F42-V73 HydrophobicContact CD2-CG1 3.85Å; F42-V73 HydrophobicContact CG-CG1 4.44Å; T43-V73 CarbonylContact O-C 3.45Å; T43-V73 WeakPolarHBondContact O-CA 3.45Å; V44-V73 HydrophobicContact CB-CG2 4.41Å; V44-V73 HydrophobicContact CG1-CG2 4.1Å; V44-V73 HydrophobicContact CG2-CG1 4.38Å; V44-V73 HydrophobicContact CG2-CG2 3.87Å |
| 74 | F | 71.1 | Confident | 67.9 | Low | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.2 | -178.4 | -59.6 | -87.6 | 0 | 0 | 0 | 110.8 | W8 F42 T43 K45 L72 C85 E88 | W8-F74 HydrophobicContact CB-CD1 4.29Å; W8-F74 AromaticContact CD1-CE1 3.87Å; W8-F74 HydrophobicContact CG-CD1 4.29Å; W8-F74 HydrophobicContact CG-CE1 4.41Å; F42-F74 CarbonylContact C-O 3.55Å; F42-F74 WeakPolarHBondContact CA-O 3.49Å; F42-F74 WeakPolarHBondContact CB-O 3.43Å; T43-F74 PolarHBondContact N-O 2.94Å; T43-F74 PolarHBondContact O-N 3.23Å; K45-F74 HydrophobicContact CB-CE2 4.06Å; K45-F74 HydrophobicContact CD-CD2 4.23Å; K45-F74 HydrophobicContact CD-CE2 3.89Å; K45-F74 HydrophobicContact CG-CD2 4.07Å; K45-F74 HydrophobicContact CG-CE2 3.94Å; L72-F74 HydrophobicContact CB-CE2 3.81Å; L72-F74 HydrophobicContact CB-CZ 4.22Å; F74-C85 HydrophobicContact CB-CB 3.63Å; F74-C85 HydrophobicContact CD1-CB 4.09Å; F74-C85 HydrophobicContact CG-CB 3.86Å; F74-E88 HydrophobicContact CD1-CB 4.22Å; F74-E88 HydrophobicContact CE1-CB 3.85Å; F74-E88 HydrophobicContact CE1-CG 3.94Å; F74-E88 HydrophobicContact CZ-CB 4.4Å; F74-E88 HydrophobicContact CZ-CG 4Å |
| 75 | P | 68.6 | Low | 67.9 | Low | 37 Ų | 37 | 58.8 Ų | 58.8 | 24% | 0.24 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.3 | 172.1 | 27.2 | -31.4 | 0 | 0 | 0 | 110.8 | M40 | M40-P75 HydrophobicContact CE-CB 3.96Å |
| 76 | G | 73.7 | Confident | 67.7 | Low | 22 Ų | 22 | 64.6 Ų | 64.6 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 85.7 | -172.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P41 F42 T43 | P41-G76 WeakPolarHBondContact O-CA 3.47Å; P41-G76 PolarHBondContact O-N 3.22Å; F42-G76 CarbonylContact C-O 3.52Å; F42-G76 VanDerWaalsContact C-O 3.31Å; F42-G76 WeakPolarHBondContact CA-O 3.34Å; T43-G76 PolarHBondContact N-O 2.93Å; T43-G76 VanDerWaalsContact N-O 3.16Å; T43-G76 PolarHBondContact OG1-O 3.3Å |
| 77 | V | 75.8 | Confident | 67.4 | Low | 99 Ų | 99 | 64.9 Ų | 64.9 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | trans | -123.6 | 138.1 | 178.2 | -169.8 | 0 | 0 | 0 | 0 | 107.4 | P41 | P41-V77 HydrophobicContact CB-CG2 3.83Š| ||
| 78 | P | 74.2 | Confident | 67.7 | Low | 21 Ų | 21 | 57.2 Ų | 57.2 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | trans | -61.1 | 153.1 | 174.9 | 26.8 | -33.9 | 0 | 0 | 0 | 110.9 | Q80 L83 | P78-Q80 PolarHBondContact O-N 2.81Å; P78-L83 HydrophobicContact CB-CB 4.35Å; P78-L83 VanDerWaalsContact CB-O 3.23Å; P78-L83 WeakPolarHBondContact CB-O 3.26Å | ||
| 79 | A | 74.2 | Confident | 68.3 | Low | 96 Ų | 96 | 57.9 Ų | 57.9 | 79% | 0.793 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60.9 | -29.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 | A79-L83 HydrophobicContact CB-CD1 4.34Š|
| 80 | Q | 70.6 | Confident | 68.3 | Low | 132 Ų | 132 | 62.2 Ų | 62.2 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -146.3 | 155.3 | 172.8 | -61.1 | -177.3 | 2.6 | 0 | 0 | 109.5 | P78 G82 L83 | P78-Q80 PolarHBondContact O-N 2.81Å; Q80-G82 PolarHBondContact O-N 3.35Å; Q80-L83 HydrophobicContact CB-CD1 3.8Å; Q80-L83 HydrophobicContact CB-CG 4.28Å; Q80-L83 HydrophobicContact CG-CD1 4.18Å; Q80-L83 PolarHBondContact O-N 3.26Å; Q80-L83 VanDerWaalsContact O-N 3.17Å |
| 81 | P | 66 | Low | 68 | Low | 135 Ų | 135 | 64.4 Ų | 64.4 | 88% | 0.877 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.4 | 170.6 | -24.3 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 82 | G | 64 | Low | 67.4 | Low | 81 Ų | 81 | 64.9 Ų | 64.9 | 84% | 0.835 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -7.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q80 | Q80-G82 PolarHBondContact O-N 3.35Š|
| 83 | L | 70.8 | Confident | 66.9 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 40% | 0.403 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -87.1 | 154.6 | 173 | -68.9 | 177.6 | 0 | 0 | 0 | 112.2 | P78 A79 Q80 | P78-L83 HydrophobicContact CB-CB 4.35Å; P78-L83 VanDerWaalsContact CB-O 3.23Å; P78-L83 WeakPolarHBondContact CB-O 3.26Å; A79-L83 HydrophobicContact CB-CD1 4.34Å; Q80-L83 HydrophobicContact CB-CD1 3.8Å; Q80-L83 HydrophobicContact CB-CG 4.28Å; Q80-L83 HydrophobicContact CG-CD1 4.18Å; Q80-L83 PolarHBondContact O-N 3.26Å; Q80-L83 VanDerWaalsContact O-N 3.17Å |
| 84 | P | 67.8 | Low | 65.9 | Low | 77 Ų | 77 | 73.6 Ų | 73.6 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 142.8 | 173.6 | 24.5 | -31.6 | 0 | 0 | 0 | 111.8 | E88 | P84-E88 WeakPolarHBondContact CA-OE2 3.14Å; P84-E88 HydrophobicContact CB-CB 3.84Å; P84-E88 HydrophobicContact CB-CG 4Å |
| 85 | C | 72.7 | Confident | 64.6 | Low | 5 Ų | 5 | 85.3 Ų | 85.3 | 3% | 0.034 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 159.1 | 167.6 | -67.2 | 0 | 0 | 0 | 0 | 110.7 | F74 G87 E88 | F74-C85 HydrophobicContact CB-CB 3.63Å; F74-C85 HydrophobicContact CD1-CB 4.09Å; F74-C85 HydrophobicContact CG-CB 3.86Å; C85-G87 PolarHBondContact O-N 2.68Å; C85-E88 HydrophobicContact CB-CB 4.18Å; C85-E88 WeakPolarHBondContact CB-OE2 3.49Å; C85-E88 PolarHBondContact N-OE2 2.86Å; C85-E88 WeakPolarHBondContact O-CB 3.21Å; C85-E88 PolarHBondContact O-N 3.36Å |
| 86 | T | 65.6 | Low | 63.2 | Low | 125 Ų | 125 | 87.4 Ų | 87.4 | 77% | 0.767 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 116 | 174.2 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 87 | G | 61.2 | Low | 61.5 | Low | 36 Ų | 36 | 88.6 Ų | 88.6 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -1.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W8 C85 D89 | W8-G87 VanDerWaalsContact CE2-O 3.3Å; W8-G87 WeakPolarHBondContact CZ2-O 3.32Å; W8-G87 PolarHBondContact NE1-O 2.66Å; C85-G87 PolarHBondContact O-N 2.68Å; G87-D89 PolarHBondContact O-N 2.92Å |
| 88 | E | 68.4 | Low | 59.9 | Low | 30 Ų | 30 | 91 Ų | 91 | 14% | 0.14 | 51% | 0.509 | C | S | . | . | trans | -77.4 | 118.6 | 172.9 | -175.5 | -179.3 | 147.8 | 0 | 0 | 110.6 | K45 F74 P84 C85 Y93 | K45-E88 VanDerWaalsContact CE-OE2 3.24Å; K45-E88 WeakPolarHBondContact CE-OE2 3.4Å; K45-E88 IonicContact NZ-OE1 2.7Å; K45-E88 PolarHBondContact NZ-OE1 2.76Å; K45-E88 IonicContact NZ-OE2 3.76Å; K45-E88 PolarHBondContact NZ-OE2 2.73Å; F74-E88 HydrophobicContact CD1-CB 4.22Å; F74-E88 HydrophobicContact CE1-CB 3.85Å; F74-E88 HydrophobicContact CE1-CG 3.94Å; F74-E88 HydrophobicContact CZ-CB 4.4Å; F74-E88 HydrophobicContact CZ-CG 4Å; P84-E88 WeakPolarHBondContact CA-OE2 3.14Å; P84-E88 HydrophobicContact CB-CB 3.84Å; P84-E88 HydrophobicContact CB-CG 4Å; C85-E88 HydrophobicContact CB-CB 4.18Å; C85-E88 WeakPolarHBondContact CB-OE2 3.49Å; C85-E88 PolarHBondContact N-OE2 2.86Å; C85-E88 WeakPolarHBondContact O-CB 3.21Å; C85-E88 PolarHBondContact O-N 3.36Å; E88-Y93 HydrophobicContact CG-CE2 4.25Å; E88-Y93 WeakPolarHBondContact CG-OH 3.33Å; E88-Y93 PolarHBondContact OE1-OH 3.13Å | ||
| 89 | D | 65.2 | Low | 58.6 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | trans | -120.9 | 144.9 | 175 | 177.6 | 8.2 | 0 | 0 | 0 | 108.9 | G87 H91 V92 | G87-D89 PolarHBondContact O-N 2.92Å; D89-H91 PolarHBondContact O-N 3.24Å; D89-H91 IonicContact OD1-CD2 3.94Å; D89-H91 PolarHBondContact OD1-CD2 3.42Å; D89-H91 PolarHBondContact OD1-N 2.87Å; D89-H91 IonicContact OD2-CD2 3.03Å; D89-H91 PolarHBondContact OD2-CD2 3.09Å; D89-H91 VanDerWaalsContact OD2-CD2 3.23Å; D89-H91 IonicContact OD2-CG 3.68Å; D89-V92 HydrophobicContact CB-CG2 4.4Å; D89-V92 VanDerWaalsContact O-CB 3.24Å; D89-V92 WeakPolarHBondContact O-CB 3.01Å; D89-V92 VanDerWaalsContact O-CG2 3.26Å; D89-V92 WeakPolarHBondContact O-CG2 3.22Å; D89-V92 PolarHBondContact O-N 3.28Å | ||
| 90 | K | 57.6 | Low | 57.5 | Low | 176 Ų | 176 | 94.2 Ų | 94.2 | 77% | 0.765 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -53.4 | -27.3 | 176.4 | -67.1 | -173.4 | 176.4 | -171.9 | 0 | 112.5 | V92 Y93 | K90-V92 PolarHBondContact O-N 2.88Å; K90-Y93 PolarHBondContact O-N 3.03Å |
| 91 | H | 55 | Low | 56.6 | Low | 95 Ų | 95 | 92 Ų | 92 | 44% | 0.44 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -66.6 | -20.2 | 175.9 | -69.1 | -82.8 | 0 | 0 | 0 | 114.2 | D89 Y93 R94 | D89-H91 PolarHBondContact O-N 3.24Å; D89-H91 IonicContact OD1-CD2 3.94Å; D89-H91 PolarHBondContact OD1-CD2 3.42Å; D89-H91 PolarHBondContact OD1-N 2.87Å; D89-H91 IonicContact OD2-CD2 3.03Å; D89-H91 PolarHBondContact OD2-CD2 3.09Å; D89-H91 VanDerWaalsContact OD2-CD2 3.23Å; D89-H91 IonicContact OD2-CG 3.68Å; H91-Y93 PolarHBondContact O-N 3.14Å; H91-R94 VanDerWaalsContact CE1-CZ 3.43Å; H91-R94 PolarHBondContact CE1-NH2 3.14Å; H91-R94 PolarHBondContact ND1-NH2 3.09Å; H91-R94 PolarHBondContact O-N 2.74Å |
| 92 | V | 54.7 | Low | 56.5 | Low | 16 Ų | 16 | 91.5 Ų | 91.5 | 10% | 0.097 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -63.7 | -24.1 | 178.7 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | L72 D89 K90 | L72-V92 HydrophobicContact CD2-CG1 4.13Å; D89-V92 HydrophobicContact CB-CG2 4.4Å; D89-V92 VanDerWaalsContact O-CB 3.24Å; D89-V92 WeakPolarHBondContact O-CB 3.01Å; D89-V92 VanDerWaalsContact O-CG2 3.26Å; D89-V92 WeakPolarHBondContact O-CG2 3.22Å; D89-V92 PolarHBondContact O-N 3.28Å; K90-V92 PolarHBondContact O-N 2.88Å |
| 93 | Y | 57.3 | Low | 57 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 20% | 0.204 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -93.9 | -10.2 | -176.6 | -52.9 | -70 | 0 | 0 | 0 | 114 | I47 P53 L72 E88 K90 H91 | I47-Y93 HydrophobicContact CD1-CD1 3.2Å; I47-Y93 HydrophobicContact CD1-CE1 3.59Å; I47-Y93 HydrophobicContact CD1-CG 3.92Å; I47-Y93 HydrophobicContact CG1-CD1 3.87Å; I47-Y93 HydrophobicContact CG1-CE1 4.36Å; P53-Y93 HydrophobicContact CB-CE1 3.73Å; P53-Y93 HydrophobicContact CB-CE2 4.19Å; P53-Y93 WeakPolarHBondContact CB-OH 3.46Å; P53-Y93 HydrophobicContact CG-CE2 4.19Å; L72-Y93 HydrophobicContact CD1-CD1 3.62Å; L72-Y93 HydrophobicContact CD1-CE1 3.31Å; E88-Y93 HydrophobicContact CG-CE2 4.25Å; E88-Y93 WeakPolarHBondContact CG-OH 3.33Å; E88-Y93 PolarHBondContact OE1-OH 3.13Å; K90-Y93 PolarHBondContact O-N 3.03Å; H91-Y93 PolarHBondContact O-N 3.14Å |
| 94 | R | 49 | Very low | 57.3 | Low | 150 Ų | 150 | 87.2 Ų | 87.2 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | trans | -76.1 | 127.4 | 180 | -68.2 | -169.6 | -148.1 | -176.3 | 3.5 | 111.9 | H91 A97 | H91-R94 VanDerWaalsContact CE1-CZ 3.43Å; H91-R94 PolarHBondContact CE1-NH2 3.14Å; H91-R94 PolarHBondContact ND1-NH2 3.09Å; H91-R94 PolarHBondContact O-N 2.74Å; R94-A97 HydrophobicContact CB-CB 4.45Å | ||
| 95 | R | 44.5 | Very low | 57.8 | Low | 247 Ų | 247 | 85.6 Ų | 85.6 | 93% | 0.932 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 134.3 | 168.6 | -69.1 | -177.2 | 178.1 | -172.8 | 2 | 109.1 | ||
| 96 | G | 37.9 | Very low | 58.2 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 84% | 0.835 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -15 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 97 | A | 38.8 | Very low | 59.1 | Low | 46 Ų | 46 | 84.7 Ų | 84.7 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -86.3 | -19.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.6 | R94 Y206 | R94-A97 HydrophobicContact CB-CB 4.45Å; A97-Y206 PolarHBondContact O-OH 3.18Å |
| 98 | R | 41.9 | Very low | 59.9 | Low | 149 Ų | 149 | 83.8 Ų | 83.8 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | trans | -152.8 | 121.8 | 174.9 | -86.3 | -177.6 | 167.9 | 173 | -4.4 | 110.2 | W100 | R98-W100 HydrophobicContact CB-CD2 4.36Å; R98-W100 HydrophobicContact CB-CZ2 3.92Å; R98-W100 HydrophobicContact CG-CZ2 4.39Å; R98-W100 PolarHBondContact O-NE1 3.13Å | ||
| 99 | R | 46.5 | Very low | 60.7 | Low | 141 Ų | 141 | 82.5 Ų | 82.5 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | trans | -86 | 135 | 159.4 | -84.1 | -171.2 | 179.4 | 166.9 | 1.7 | 107.4 | E235 | R99-E235 WeakPolarHBondContact CD-OE2 3.43Å; R99-E235 IonicContact CZ-OE2 3.31Å; R99-E235 IonicContact NE-OE2 2.87Å; R99-E235 IonicContact NH1-OE2 3.67Å; R99-E235 PolarHBondContact NH1-OE2 2.92Å | ||
| 100 | W | 51.6 | Low | 61.6 | Low | 45 Ų | 45 | 80.3 Ų | 80.3 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | trans | -116.9 | 142.2 | -173.2 | -51.1 | 81.8 | 0 | 0 | 0 | 107.3 | S10 V12 R98 K102 | S10-W100 VanDerWaalsContact C-CE3 3.49Å; V12-W100 HydrophobicContact CG2-CB 3.51Å; V12-W100 HydrophobicContact CG2-CG 4.18Å; R98-W100 HydrophobicContact CB-CD2 4.36Å; R98-W100 HydrophobicContact CB-CZ2 3.92Å; R98-W100 HydrophobicContact CG-CZ2 4.39Å; R98-W100 PolarHBondContact O-NE1 3.13Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.15Å | ||
| 101 | K | 52.9 | Low | 62.8 | Low | 85 Ų | 85 | 72 Ų | 72 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 120.7 | -176.4 | -72.9 | 179 | -175.9 | 165.8 | 0 | 110.8 | D11 V12 F103 T232 D233 | D11-K101 WeakPolarHBondContact OD1-CB 3.48Å; V12-K101 PolarHBondContact N-O 2.82Å; V12-K101 VanDerWaalsContact O-O 3.09Å; K101-F103 HydrophobicContact CB-CD2 4.27Å; K101-F103 HydrophobicContact CB-CE2 3.61Å; K101-F103 HydrophobicContact CB-CZ 4.19Å; K101-F103 HydrophobicContact CD-CE2 4.43Å; K101-F103 HydrophobicContact CD-CZ 4.31Å; K101-F103 WeakPolarHBondContact O-CD2 3.36Å; K101-T232 WeakPolarHBondContact CE-O 3.39Å; K101-T232 PolarHBondContact NZ-O 3.41Å; K101-D233 HydrophobicContact CD-CB 4.07Å; K101-D233 HydrophobicContact CG-CB 3.48Å; K101-D233 VanDerWaalsContact CG-CB 3.48Å |
| 102 | K | 63.5 | Low | 64.1 | Low | 124 Ų | 124 | 68 Ų | 68 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.7 | 175.5 | -67.1 | -178.6 | -174.9 | 175.4 | 0 | 110.6 | V12 W100 Y104 | V12-K102 HydrophobicContact CB-CG 4.04Å; V12-K102 HydrophobicContact CG1-CG 4.07Å; V12-K102 CarbonylContact O-C 3.57Å; V12-K102 WeakPolarHBondContact O-CA 3.46Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.15Å; K102-Y104 HydrophobicContact CB-CE2 4.25Å |
| 103 | F | 73.6 | Confident | 65.4 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.6 | 169.9 | -65.9 | -84.8 | 0 | 0 | 0 | 110.7 | D11 V12 M13 I14 K101 L110 F111 A112 V140 | D11-F103 HydrophobicContact CB-CD2 3.92Å; D11-F103 HydrophobicContact CB-CE2 3.75Å; D11-F103 VanDerWaalsContact CG-CE2 3.42Å; D11-F103 WeakPolarHBondContact OD2-CE2 3.31Å; V12-F103 PolarHBondContact O-N 2.85Å; M13-F103 HydrophobicContact CG-CB 4.47Å; M13-F103 HydrophobicContact SD-CB 3.51Å; M13-F103 VanDerWaalsContact SD-CB 3.51Å; M13-F103 HydrophobicContact SD-CG 4.37Å; I14-F103 PolarHBondContact N-O 2.81Å; K101-F103 HydrophobicContact CB-CD2 4.27Å; K101-F103 HydrophobicContact CB-CE2 3.61Å; K101-F103 HydrophobicContact CB-CZ 4.19Å; K101-F103 HydrophobicContact CD-CE2 4.43Å; K101-F103 HydrophobicContact CD-CZ 4.31Å; K101-F103 WeakPolarHBondContact O-CD2 3.36Å; F103-L110 HydrophobicContact CB-CD1 3.53Å; F103-L110 HydrophobicContact CB-CG 4.09Å; F103-L110 HydrophobicContact CD1-CD1 4.06Å; F103-L110 HydrophobicContact CD1-CD2 3.99Å; F103-L110 HydrophobicContact CD1-CG 3.64Å; F103-L110 HydrophobicContact CE1-CD2 4.31Å; F103-L110 HydrophobicContact CE1-CG 4.36Å; F103-L110 HydrophobicContact CG-CD1 3.99Å; F103-L110 HydrophobicContact CG-CD2 4.41Å; F103-L110 HydrophobicContact CG-CG 4.09Å; F103-F111 CarbonylContact C-O 3.45Å; F103-F111 WeakPolarHBondContact CA-O 3.28Å; F103-A112 HydrophobicContact CD1-CB 3.92Å; F103-A112 HydrophobicContact CE1-CB 3.78Å; F103-V140 HydrophobicContact CE1-CG1 3.89Å; F103-V140 HydrophobicContact CE1-CG2 4.48Å |
| 104 | Y | 77.8 | Confident | 66.4 | Low | 48 Ų | 48 | 68.8 Ų | 68.8 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.3 | 177.3 | -63 | -94.4 | 0 | 0 | 0 | 108.7 | I14 Y16 K102 F111 F137 H151 | I14-Y104 HydrophobicContact CB-CD1 3.8Å; I14-Y104 HydrophobicContact CB-CE1 3.97Å; I14-Y104 HydrophobicContact CB-CG 4.47Å; I14-Y104 HydrophobicContact CG1-CD1 4.21Å; I14-Y104 HydrophobicContact CG1-CE1 3.94Å; I14-Y104 HydrophobicContact CG2-CD1 3.92Å; I14-Y104 HydrophobicContact CG2-CE1 3.95Å; Y16-Y104 HydrophobicContact CE2-CD1 4.09Å; Y16-Y104 AromaticContact CZ-CD1 4Å; Y16-Y104 WeakPolarHBondContact OH-CD1 2.58Å; Y16-Y104 WeakPolarHBondContact OH-CE1 3.39Å; K102-Y104 HydrophobicContact CB-CE2 4.25Å; Y104-F111 PolarHBondContact N-O 3.22Å; Y104-F111 WeakPolarHBondContact O-CB 3.47Å; Y104-F111 PolarHBondContact O-N 3.38Å; Y104-F137 HydrophobicContact CD2-CD1 4.26Å; Y104-F137 AromaticContact CD2-CE1 3.55Å; Y104-F137 HydrophobicContact CD2-CE1 3.55Å; Y104-F137 HydrophobicContact CD2-CE2 4.31Å; Y104-F137 AromaticContact CD2-CZ 3.58Å; Y104-F137 HydrophobicContact CD2-CZ 3.58Å; Y104-F137 AromaticContact CE2-CE1 3.44Å; Y104-F137 HydrophobicContact CE2-CE1 3.44Å; Y104-F137 VanDerWaalsContact CE2-CE1 3.44Å; Y104-F137 HydrophobicContact CE2-CE2 4.36Å; Y104-F137 AromaticContact CE2-CZ 3.33Å; Y104-F137 HydrophobicContact CE2-CZ 3.33Å; Y104-F137 HydrophobicContact CG-CZ 4.3Å; Y104-F137 AromaticContact CZ-CZ 3.86Å; Y104-H151 AromaticContact CD1-NE2 3.72Å |
| 105 | R | 78.2 | Confident | 67.7 | Low | 43 Ų | 43 | 68.2 Ų | 68.2 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.1 | -179.5 | -164.1 | 173.8 | -173.3 | -156.1 | 3.6 | 111.4 | I14 L15 S32 A33 H109 Y161 | I14-R105 PolarHBondContact O-N 3Å; L15-R105 HydrophobicContact CD2-CB 4Å; S32-R105 PolarHBondContact O-NH1 3.33Å; S32-R105 PolarHBondContact OG-NH1 2.91Å; S32-R105 PolarHBondContact OG-NH2 3.14Å; A33-R105 VanDerWaalsContact CA-NH1 3.26Å; A33-R105 VanDerWaalsContact N-NH1 3.14Å; R105-H109 VanDerWaalsContact CA-O 3.31Å; R105-H109 WeakPolarHBondContact CA-O 3.32Å; R105-Y161 VanDerWaalsContact NH2-CZ 3.3Å; R105-Y161 PolarHBondContact NH2-OH 2.68Å; R105-Y161 VanDerWaalsContact NH2-OH 3.13Å |
| 106 | I | 81.9 | Confident | 69 | Low | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 120.9 | -177.9 | -59.1 | -176.7 | 0 | 0 | 0 | 108.9 | Y16 G108 H109 F111 H151 K152 V154 | Y16-I106 HydrophobicContact CD2-CD1 4.5Å; Y16-I106 HydrophobicContact CD2-CG1 4.24Å; Y16-I106 HydrophobicContact CE2-CD1 4.19Å; Y16-I106 HydrophobicContact CE2-CG1 4.28Å; I106-G108 VanDerWaalsContact C-N 3.28Å; I106-G108 PolarHBondContact O-N 2.87Å; I106-H109 PolarHBondContact N-O 3.48Å; I106-H109 WeakPolarHBondContact O-CA 3.49Å; I106-H109 VanDerWaalsContact O-CB 3.23Å; I106-H109 WeakPolarHBondContact O-CB 3.44Å; I106-H109 PolarHBondContact O-CD2 2.7Å; I106-H109 PolarHBondContact O-N 2.92Å; I106-F111 HydrophobicContact CB-CD2 4.34Å; I106-F111 HydrophobicContact CB-CE2 4.25Å; I106-H151 VanDerWaalsContact CD1-C 3.46Å; I106-H151 HydrophobicContact CD1-CB 4.11Å; I106-H151 WeakPolarHBondContact CD1-CD2 3.09Å; I106-H151 WeakPolarHBondContact CD1-O 3.48Å; I106-K152 HydrophobicContact CD1-CG 4.43Å; I106-V154 HydrophobicContact CG2-CB 4.22Å |
| 107 | H | 82.6 | Confident | 70.5 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 46.7 | 178.2 | -71.9 | -84.5 | 0 | 0 | 0 | 113.8 | H109 V154 M156 D157 C158 | H107-H109 PolarHBondContact O-CD2 2.74Å; H107-H109 PolarHBondContact O-N 2.63Å; H107-H109 VanDerWaalsContact O-N 3.08Å; H107-V154 PolarHBondContact CD2-O 3Å; H107-M156 WeakPolarHBondContact CB-O 3.41Å; H107-D157 IonicContact CG-OD1 3.82Å; H107-D157 IonicContact ND1-OD1 2.78Å; H107-D157 WeakPolarHBondContact O-CA 3.26Å; H107-C158 PolarHBondContact O-N 3.43Å |
| 108 | G | 78.5 | Confident | 71.8 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -8.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I106 C158 | I106-G108 VanDerWaalsContact C-N 3.28Å; I106-G108 PolarHBondContact O-N 2.87Å; G108-C158 WeakPolarHBondContact O-CB 3.34Å |
| 109 | H | 85.6 | Confident | 73.3 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.4 | 172.4 | -63.4 | -86.4 | 0 | 0 | 0 | 111 | R105 I106 H107 F111 C139 C142 L144 M156 C158 | R105-H109 VanDerWaalsContact CA-O 3.31Å; R105-H109 WeakPolarHBondContact CA-O 3.32Å; I106-H109 PolarHBondContact N-O 3.48Å; I106-H109 WeakPolarHBondContact O-CA 3.49Å; I106-H109 VanDerWaalsContact O-CB 3.23Å; I106-H109 WeakPolarHBondContact O-CB 3.44Å; I106-H109 PolarHBondContact O-CD2 2.7Å; I106-H109 PolarHBondContact O-N 2.92Å; H107-H109 PolarHBondContact O-CD2 2.74Å; H107-H109 PolarHBondContact O-N 2.63Å; H107-H109 VanDerWaalsContact O-N 3.08Å; H109-F111 HydrophobicContact CB-CD2 3.84Å; H109-F111 HydrophobicContact CB-CE2 3.41Å; H109-F111 VanDerWaalsContact CB-CE2 3.41Å; H109-F111 HydrophobicContact CB-CZ 3.81Å; H109-F111 AromaticContact CG-CE2 3.97Å; H109-F111 AromaticContact CG-CZ 3.99Å; H109-C139 HydrophobicContact CB-CB 4.25Å; H109-C139 PolarHBondContact ND1-SG 3.11Å; H109-C139 VanDerWaalsContact ND1-SG 3.37Å; H109-C142 PolarHBondContact CE1-SG 3.05Å; H109-C142 PolarHBondContact ND1-SG 3.3Å; H109-L144 VanDerWaalsContact CE1-CD2 3.46Å; H109-L144 WeakPolarHBondContact CE1-CD2 3.34Å; H109-M156 PolarHBondContact CD2-O 3.46Å; H109-M156 PolarHBondContact NE2-O 3.27Å; H109-C158 HydrophobicContact CB-CB 4.36Å; H109-C158 VanDerWaalsContact CE1-CA 3.43Å; H109-C158 WeakPolarHBondContact CE1-CA 3.14Å; H109-C158 WeakPolarHBondContact NE2-CA 3.36Å; H109-C158 PolarHBondContact NE2-N 2.81Å |
| 110 | L | 84.3 | Confident | 75 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 92.7 | 173 | -172.5 | 67.1 | 0 | 0 | 0 | 109.4 | M13 F103 C139 V140 | M13-L110 HydrophobicContact CE-CD1 3.53Å; M13-L110 HydrophobicContact SD-CD1 3.25Å; M13-L110 WeakPolarHBondContact SD-CD1 3.39Å; F103-L110 HydrophobicContact CB-CD1 3.53Å; F103-L110 HydrophobicContact CB-CG 4.09Å; F103-L110 HydrophobicContact CD1-CD1 4.06Å; F103-L110 HydrophobicContact CD1-CD2 3.99Å; F103-L110 HydrophobicContact CD1-CG 3.64Å; F103-L110 HydrophobicContact CE1-CD2 4.31Å; F103-L110 HydrophobicContact CE1-CG 4.36Å; F103-L110 HydrophobicContact CG-CD1 3.99Å; F103-L110 HydrophobicContact CG-CD2 4.41Å; F103-L110 HydrophobicContact CG-CG 4.09Å; L110-C139 CarbonylContact O-C 3.57Å; L110-C139 WeakPolarHBondContact O-CA 3.38Å; L110-V140 HydrophobicContact CB-CG2 3.81Å; L110-V140 HydrophobicContact CD2-CG2 3.6Å; L110-V140 HydrophobicContact CG-CG2 3.84Å; L110-V140 PolarHBondContact O-N 3.03Å |
| 111 | F | 83.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.9 | -174.2 | -76.1 | -69.9 | 0 | 0 | 0 | 111.7 | F103 Y104 I106 H109 F137 C139 L144 V146 H151 V154 | F103-F111 CarbonylContact C-O 3.45Å; F103-F111 WeakPolarHBondContact CA-O 3.28Å; Y104-F111 PolarHBondContact N-O 3.22Å; Y104-F111 WeakPolarHBondContact O-CB 3.47Å; Y104-F111 PolarHBondContact O-N 3.38Å; I106-F111 HydrophobicContact CB-CD2 4.34Å; I106-F111 HydrophobicContact CB-CE2 4.25Å; H109-F111 HydrophobicContact CB-CD2 3.84Å; H109-F111 HydrophobicContact CB-CE2 3.41Å; H109-F111 VanDerWaalsContact CB-CE2 3.41Å; H109-F111 HydrophobicContact CB-CZ 3.81Å; H109-F111 AromaticContact CG-CE2 3.97Å; H109-F111 AromaticContact CG-CZ 3.99Å; F111-F137 HydrophobicContact CB-CB 4.01Å; F111-F137 HydrophobicContact CB-CG 4.31Å; F111-F137 HydrophobicContact CD1-CB 3.86Å; F111-F137 HydrophobicContact CG-CB 4.2Å; F111-C139 HydrophobicContact CD1-CB 4.13Å; F111-C139 HydrophobicContact CE1-CB 3.92Å; F111-C139 HydrophobicContact CZ-CB 4.48Å; F111-L144 HydrophobicContact CE1-CB 4.49Å; F111-L144 HydrophobicContact CE1-CD2 4.4Å; F111-L144 HydrophobicContact CE1-CG 4.45Å; F111-L144 HydrophobicContact CZ-CD2 3.9Å; F111-L144 HydrophobicContact CZ-CG 4.43Å; F111-V146 HydrophobicContact CD1-CG2 4.2Å; F111-V146 HydrophobicContact CE1-CG2 3.83Å; F111-V146 HydrophobicContact CZ-CG2 4.27Å; F111-H151 HydrophobicContact CD2-CB 4.3Å; F111-V154 HydrophobicContact CE2-CG2 4.12Å; F111-V154 HydrophobicContact CZ-CG1 4.49Å; F111-V154 HydrophobicContact CZ-CG2 3.87Å |
| 112 | A | 82.5 | Confident | 78.5 | Confident | 13 Ų | 13 | 64 Ų | 64 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F103 K114 F137 R138 V140 | F103-A112 HydrophobicContact CD1-CB 3.92Å; F103-A112 HydrophobicContact CE1-CB 3.78Å; A112-K114 PolarHBondContact O-N 3.47Å; A112-F137 WeakPolarHBondContact O-CA 3.1Å; A112-R138 PolarHBondContact N-O 3.21Å; A112-R138 PolarHBondContact O-N 2.96Å; A112-V140 HydrophobicContact CB-CG1 3.87Å |
| 113 | A | 80.9 | Confident | 79.9 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 134.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R134 G136 F137 | A113-R134 HydrophobicContact CB-CB 3.95Å; A113-R134 HydrophobicContact CB-CG 4.26Å; A113-G136 WeakPolarHBondContact CA-O 2.98Å; A113-F137 HydrophobicContact CB-CD1 4Å; A113-F137 HydrophobicContact CB-CE1 3.8Å |
| 114 | K | 79.2 | Confident | 80.8 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151 | -179.5 | -76.9 | -64.8 | -174.3 | 177.2 | 0 | 111.5 | A112 F116 R134 Q135 G136 R138 E234 | A112-K114 PolarHBondContact O-N 3.47Å; K114-F116 HydrophobicContact CB-CE2 4.1Å; K114-F116 HydrophobicContact CB-CZ 4.35Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; K114-R134 CarbonylContact O-C 3.58Å; K114-R134 WeakPolarHBondContact O-CA 3.32Å; K114-Q135 PolarHBondContact O-N 3.2Å; K114-G136 PolarHBondContact N-O 3Å; K114-R138 HydrophobicContact CB-CB 4.13Å; K114-R138 HydrophobicContact CG-CB 3.81Å; K114-E234 WeakPolarHBondContact CD-OE1 3.49Å; K114-E234 VanDerWaalsContact CE-OE1 3.24Å; K114-E234 WeakPolarHBondContact CE-OE1 3.41Å; K114-E234 IonicContact NZ-OE1 2.61Å; K114-E234 PolarHBondContact NZ-OE1 3.33Å |
| 115 | R | 74.7 | Confident | 81.4 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | trans | -77.2 | 135.2 | 162.8 | -62.4 | -171.1 | -174 | -156.2 | 4.8 | 109.2 | R134 Q135 D238 | R115-R134 HydrophobicContact CG-CG 4.36Å; R115-Q135 VanDerWaalsContact CA-OE1 3.28Å; R115-D238 IonicContact CZ-OD1 3.35Å; R115-D238 IonicContact CZ-OD2 3.52Å; R115-D238 IonicContact NE-OD2 3.58Å; R115-D238 IonicContact NH2-OD1 3.14Å; R115-D238 PolarHBondContact NH2-OD1 3.05Å; R115-D238 IonicContact NH2-OD2 3.51Å; R115-D238 PolarHBondContact NH2-OD2 3.35Å | ||
| 116 | F | 72.2 | Confident | 82 | Confident | 16 Ų | 16 | 70 Ų | 70 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | trans | -113.9 | 142.2 | 178 | -71.6 | -87.4 | 0 | 0 | 0 | 110 | K114 A120 V129 R138 A145 | K114-F116 HydrophobicContact CB-CE2 4.1Å; K114-F116 HydrophobicContact CB-CZ 4.35Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; F116-A120 HydrophobicContact CB-CB 3.55Å; F116-A120 HydrophobicContact CD1-CB 3.51Å; F116-A120 HydrophobicContact CG-CB 3.83Å; F116-V129 HydrophobicContact CB-CG1 4.48Å; F116-V129 HydrophobicContact CD2-CB 4.47Å; F116-V129 HydrophobicContact CD2-CG1 3.65Å; F116-V129 HydrophobicContact CE2-CG1 4.1Å; F116-V129 HydrophobicContact CG-CG1 4.15Å; F116-R138 VanDerWaalsContact CD1-NH2 3.34Å; F116-R138 HydrophobicContact CE1-CB 4.42Å; F116-R138 VanDerWaalsContact CE1-NH2 3.33Å; F116-R138 HydrophobicContact CZ-CB 3.88Å; F116-A145 HydrophobicContact CD1-CB 4.45Å; F116-A145 HydrophobicContact CE1-CB 3.44Å; F116-A145 VanDerWaalsContact CE1-CB 3.44Å; F116-A145 HydrophobicContact CZ-CB 3.79Å | ||
| 117 | N | 70.6 | Confident | 82.3 | Confident | 115 Ų | 115 | 73.7 Ų | 73.7 | 62% | 0.615 | 35% | 0.345 | S | S | * | . | trans | -65.9 | 165.7 | 171.8 | 68.7 | 28.1 | 0 | 0 | 0 | 110.6 | R119 A120 | N117-R119 PolarHBondContact O-N 3.27Å; N117-R119 PolarHBondContact OD1-N 3.49Å; N117-R119 VanDerWaalsContact OD1-N 3.11Å; N117-A120 PolarHBondContact O-N 2.99Å; N117-A120 PolarHBondContact OD1-N 3.39Å | ||
| 118 | R | 65 | Low | 82.4 | Confident | 247 Ų | 247 | 77.2 Ų | 77.2 | 93% | 0.932 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -4.5 | -176.8 | -67.3 | -174.4 | 179.4 | -176.9 | 0.6 | 115.3 | ||
| 119 | R | 74.2 | Confident | 82.4 | Confident | 228 Ų | 228 | 76.6 Ų | 76.6 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 1.5 | -177.4 | -63.1 | -175 | -177.4 | 177.6 | 1.4 | 114.3 | N117 | N117-R119 PolarHBondContact O-N 3.27Å; N117-R119 PolarHBondContact OD1-N 3.49Å; N117-R119 VanDerWaalsContact OD1-N 3.11Å |
| 120 | A | 80.9 | Confident | 81.8 | Confident | 17 Ų | 17 | 86.1 Ų | 86.1 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | trans | -75.1 | 135.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F116 N117 R128 V129 | F116-A120 HydrophobicContact CB-CB 3.55Å; F116-A120 HydrophobicContact CD1-CB 3.51Å; F116-A120 HydrophobicContact CG-CB 3.83Å; N117-A120 PolarHBondContact O-N 2.99Å; N117-A120 PolarHBondContact OD1-N 3.39Å; A120-R128 WeakPolarHBondContact O-CA 3.49Å; A120-V129 HydrophobicContact CB-CB 4.45Å; A120-V129 PolarHBondContact O-N 2.94Å | ||
| 121 | T | 88.1 | Confident | 80.7 | Confident | 81 Ų | 81 | 86.1 Ų | 86.1 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 139.9 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 122 | C | 90.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 94.7 Ų | 94.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | trans | -72.1 | 130.4 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | I124 C125 R126 D127 V129 V146 H147 | C122-I124 PolarHBondContact O-N 3.42Å; C122-I124 PolarHBondContact SG-N 2.85Å; C122-I124 VanDerWaalsContact SG-N 3.38Å; C122-C125 VanDerWaalsContact CB-SG 3.57Å; C122-R126 WeakPolarHBondContact O-CA 3.49Å; C122-R126 PolarHBondContact O-N 2.89Å; C122-D127 PolarHBondContact N-O 2.73Å; C122-V129 HydrophobicContact CB-CG2 3.8Å; C122-V146 VanDerWaalsContact SG-CA 3.58Å; C122-H147 WeakPolarHBondContact CB-ND1 3.44Å; C122-H147 PolarHBondContact SG-N 2.83Å | ||
| 123 | T | 92 | Very high | 78.1 | Confident | 53 Ų | 53 | 95.6 Ų | 95.6 | 33% | 0.325 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.2 | 179.5 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | L144 A145 | T123-L144 HydrophobicContact CG2-CD1 3.63Å; T123-L144 VanDerWaalsContact OG1-CD1 3.31Å; T123-L144 WeakPolarHBondContact OG1-CD1 3.35Å; T123-A145 PolarHBondContact N-O 3.47Å; T123-A145 PolarHBondContact OG1-O 3.06Å |
| 124 | I | 92.8 | Very high | 77.2 | Confident | 55 Ų | 55 | 97 Ų | 97 | 28% | 0.282 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -62.1 | -178.1 | -58.5 | -57.7 | 0 | 0 | 0 | 111.7 | C122 V146 C150 L153 V154 | C122-I124 PolarHBondContact O-N 3.42Å; C122-I124 PolarHBondContact SG-N 2.85Å; C122-I124 VanDerWaalsContact SG-N 3.38Å; I124-V146 HydrophobicContact CG1-CG1 3.81Å; I124-C150 HydrophobicContact CB-CB 4.03Å; I124-C150 HydrophobicContact CG1-CB 4.3Å; I124-C150 HydrophobicContact CG2-CB 4.29Å; I124-L153 HydrophobicContact CG2-CB 3.91Å; I124-L153 HydrophobicContact CG2-CD1 4.13Å; I124-V154 HydrophobicContact CD1-CG2 3.97Å; I124-V154 HydrophobicContact CG1-CG2 4.13Å |
| 125 | C | 91.8 | Very high | 77.1 | Confident | 59 Ų | 59 | 95.8 Ų | 95.8 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.4 | -175.7 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | C122 D127 H147 | C122-C125 VanDerWaalsContact CB-SG 3.57Å; C125-D127 PolarHBondContact O-N 2.9Å; C125-H147 PolarHBondContact SG-CE1 2.91Å; C125-H147 PolarHBondContact SG-ND1 3.3Å |
| 126 | R | 90.3 | Very high | 77.5 | Confident | 197 Ų | 197 | 89.2 Ų | 89.2 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | trans | 63.2 | 0.1 | -176.4 | -56.3 | -66.9 | -175.6 | 153.3 | 0.6 | 115.9 | C122 | C122-R126 WeakPolarHBondContact O-CA 3.49Å; C122-R126 PolarHBondContact O-N 2.89Å | ||
| 127 | D | 87.6 | Confident | 78.3 | Confident | 93 Ų | 93 | 88.9 Ų | 88.9 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -82.4 | 161.9 | 176.7 | -164.2 | 10.1 | 0 | 0 | 0 | 112.1 | C122 C125 | C122-D127 PolarHBondContact N-O 2.73Å; C125-D127 PolarHBondContact O-N 2.9Å |
| 128 | R | 84 | Confident | 79.2 | Confident | 168 Ų | 168 | 87.8 Ų | 87.8 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -65.8 | 139.8 | -178.9 | -62.7 | -175.5 | -158.2 | 174.1 | 6.9 | 111.2 | A120 W130 H147 | A120-R128 WeakPolarHBondContact O-CA 3.49Å; R128-W130 PolarHBondContact O-N 3.08Å; R128-H147 PolarHBondContact O-CE1 3.21Å; R128-H147 PolarHBondContact O-NE2 2.94Å |
| 129 | V | 79.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | trans | -93.6 | 94.1 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | F116 A120 C122 Q135 | F116-V129 HydrophobicContact CB-CG1 4.48Å; F116-V129 HydrophobicContact CD2-CB 4.47Å; F116-V129 HydrophobicContact CD2-CG1 3.65Å; F116-V129 HydrophobicContact CE2-CG1 4.1Å; F116-V129 HydrophobicContact CG-CG1 4.15Å; A120-V129 HydrophobicContact CB-CB 4.45Å; A120-V129 PolarHBondContact O-N 2.94Å; C122-V129 HydrophobicContact CB-CG2 3.8Å; V129-Q135 HydrophobicContact CG1-CB 3.8Å | ||
| 130 | W | 72.7 | Confident | 80.8 | Confident | 202 Ų | 202 | 67.6 Ų | 67.6 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | trans | -136.9 | 161 | -175.5 | 71.3 | -79.8 | 0 | 0 | 0 | 111.9 | R128 | R128-W130 PolarHBondContact O-N 3.08Š| ||
| 131 | G | 60.6 | Low | 80.8 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 140.7 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q135 | G131-Q135 WeakPolarHBondContact O-CG 3.25Å; G131-Q135 PolarHBondContact O-NE2 3.1Å |
| 132 | L | 50.3 | Low | 80.7 | Confident | 179 Ų | 179 | 68.3 Ų | 68.3 | 94% | 0.937 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -79.8 | 144.6 | 173.9 | -66.2 | 168.2 | 0 | 0 | 0 | 110.8 | ||
| 133 | G | 62.3 | Low | 80.7 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 70.9 | -146.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q135 | G133-Q135 PolarHBondContact O-N 3.07Å; G133-Q135 VanDerWaalsContact O-N 3.14Å; G133-Q135 PolarHBondContact O-NE2 3.28Å; G133-Q135 PolarHBondContact O-OE1 3.06Å |
| 134 | R | 62.6 | Low | 80.6 | Confident | 49 Ų | 49 | 73.1 Ų | 73.1 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | trans | -74.9 | 97.8 | 177.8 | -59.8 | -178.6 | -176 | 132.7 | 15.4 | 110.2 | A113 K114 R115 G136 K148 E234 E235 | A113-R134 HydrophobicContact CB-CB 3.95Å; A113-R134 HydrophobicContact CB-CG 4.26Å; K114-R134 CarbonylContact O-C 3.58Å; K114-R134 WeakPolarHBondContact O-CA 3.32Å; R115-R134 HydrophobicContact CG-CG 4.36Å; R134-G136 VanDerWaalsContact C-N 3.34Å; R134-G136 PolarHBondContact O-N 3.38Å; R134-K148 WeakPolarHBondContact O-CE 3.45Å; R134-K148 PolarHBondContact O-NZ 2.85Å; R134-E234 IonicContact CZ-OE2 2.8Å; R134-E234 IonicContact NE-OE2 3.62Å; R134-E234 PolarHBondContact NE-OE2 2.63Å; R134-E234 VanDerWaalsContact NH2-C 3.31Å; R134-E234 IonicContact NH2-OE2 3.64Å; R134-E235 IonicContact NH1-OE1 2.68Å; R134-E235 PolarHBondContact NH1-OE1 2.88Å; R134-E235 VanDerWaalsContact NH1-OE1 3.14Å | ||
| 135 | Q | 75.3 | Confident | 80.6 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -74.5 | -20.4 | -170.8 | -55.4 | 87.6 | 2.4 | 0 | 0 | 114.3 | K114 R115 V129 G131 G133 | K114-Q135 PolarHBondContact O-N 3.2Å; R115-Q135 VanDerWaalsContact CA-OE1 3.28Å; V129-Q135 HydrophobicContact CG1-CB 3.8Å; G131-Q135 WeakPolarHBondContact O-CG 3.25Å; G131-Q135 PolarHBondContact O-NE2 3.1Å; G133-Q135 PolarHBondContact O-N 3.07Å; G133-Q135 VanDerWaalsContact O-N 3.14Å; G133-Q135 PolarHBondContact O-NE2 3.28Å; G133-Q135 PolarHBondContact O-OE1 3.06Å | ||
| 136 | G | 84.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | -173 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A113 K114 R134 V146 | A113-G136 WeakPolarHBondContact CA-O 2.98Å; K114-G136 PolarHBondContact N-O 3Å; R134-G136 VanDerWaalsContact C-N 3.34Å; R134-G136 PolarHBondContact O-N 3.38Å; G136-V146 CarbonylContact C-O 3.59Å; G136-V146 VanDerWaalsContact CA-O 3.28Å; G136-V146 WeakPolarHBondContact CA-O 3.43Å |
| 137 | F | 89.3 | Confident | 80.4 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.8 | 173 | -72.3 | -52 | 0 | 0 | 0 | 110.8 | Y104 F111 A112 A113 A145 V146 K148 H151 | Y104-F137 HydrophobicContact CD2-CD1 4.26Å; Y104-F137 AromaticContact CD2-CE1 3.55Å; Y104-F137 HydrophobicContact CD2-CE1 3.55Å; Y104-F137 HydrophobicContact CD2-CE2 4.31Å; Y104-F137 AromaticContact CD2-CZ 3.58Å; Y104-F137 HydrophobicContact CD2-CZ 3.58Å; Y104-F137 AromaticContact CE2-CE1 3.44Å; Y104-F137 HydrophobicContact CE2-CE1 3.44Å; Y104-F137 VanDerWaalsContact CE2-CE1 3.44Å; Y104-F137 HydrophobicContact CE2-CE2 4.36Å; Y104-F137 AromaticContact CE2-CZ 3.33Å; Y104-F137 HydrophobicContact CE2-CZ 3.33Å; Y104-F137 HydrophobicContact CG-CZ 4.3Å; Y104-F137 AromaticContact CZ-CZ 3.86Å; F111-F137 HydrophobicContact CB-CB 4.01Å; F111-F137 HydrophobicContact CB-CG 4.31Å; F111-F137 HydrophobicContact CD1-CB 3.86Å; F111-F137 HydrophobicContact CG-CB 4.2Å; A112-F137 WeakPolarHBondContact O-CA 3.1Å; A113-F137 HydrophobicContact CB-CD1 4Å; A113-F137 HydrophobicContact CB-CE1 3.8Å; F137-A145 WeakPolarHBondContact O-CA 3.45Å; F137-V146 HydrophobicContact CB-CG2 3.87Å; F137-V146 PolarHBondContact N-O 2.96Å; F137-V146 PolarHBondContact O-N 3.39Å; F137-K148 HydrophobicContact CD2-CB 4.32Å; F137-K148 HydrophobicContact CD2-CG 4.23Å; F137-K148 HydrophobicContact CE2-CB 3.97Å; F137-K148 HydrophobicContact CE2-CG 3.96Å; F137-K148 HydrophobicContact CZ-CG 4.13Å; F137-H151 HydrophobicContact CB-CB 4.48Å; F137-H151 HydrophobicContact CD2-CB 3.66Å; F137-H151 AromaticContact CD2-CG 3.5Å; F137-H151 AromaticContact CD2-ND1 3.63Å; F137-H151 HydrophobicContact CE2-CB 4.38Å; F137-H151 AromaticContact CE2-CD2 3.97Å; F137-H151 AromaticContact CE2-CE1 3.63Å; F137-H151 AromaticContact CE2-CG 3.72Å; F137-H151 AromaticContact CE2-ND1 3.49Å; F137-H151 WeakPolarHBondContact CE2-ND1 3.49Å; F137-H151 AromaticContact CE2-NE2 3.97Å; F137-H151 HydrophobicContact CG-CB 4.44Å |
| 138 | R | 89.1 | Confident | 80.3 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 170.7 | -169.5 | 178.3 | -71.5 | -176.4 | -1.9 | 109.5 | A112 K114 F116 V140 K143 L144 | A112-R138 PolarHBondContact N-O 3.21Å; A112-R138 PolarHBondContact O-N 2.96Å; K114-R138 HydrophobicContact CB-CB 4.13Å; K114-R138 HydrophobicContact CG-CB 3.81Å; F116-R138 VanDerWaalsContact CD1-NH2 3.34Å; F116-R138 HydrophobicContact CE1-CB 4.42Å; F116-R138 VanDerWaalsContact CE1-NH2 3.33Å; F116-R138 HydrophobicContact CZ-CB 3.88Å; R138-V140 PolarHBondContact O-N 2.64Å; R138-K143 HydrophobicContact CG-CB 4.47Å; R138-L144 CarbonylContact C-O 3.36Å; R138-L144 VanDerWaalsContact CA-O 3.29Å; R138-L144 WeakPolarHBondContact CA-O 3.49Å |
| 139 | C | 88.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 123.4 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | H109 L110 F111 T141 K143 L144 | H109-C139 HydrophobicContact CB-CB 4.25Å; H109-C139 PolarHBondContact ND1-SG 3.11Å; H109-C139 VanDerWaalsContact ND1-SG 3.37Å; L110-C139 CarbonylContact O-C 3.57Å; L110-C139 WeakPolarHBondContact O-CA 3.38Å; F111-C139 HydrophobicContact CD1-CB 4.13Å; F111-C139 HydrophobicContact CE1-CB 3.92Å; F111-C139 HydrophobicContact CZ-CB 4.48Å; C139-T141 PolarHBondContact O-N 3.42Å; C139-K143 WeakPolarHBondContact O-CA 3.34Å; C139-K143 PolarHBondContact O-N 2.96Å; C139-L144 HydrophobicContact CB-CB 4.06Å; C139-L144 PolarHBondContact N-O 3.04Å |
| 140 | V | 83.1 | Confident | 80.9 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.2 | -179.4 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | F103 L110 A112 R138 K143 | F103-V140 HydrophobicContact CE1-CG1 3.89Å; F103-V140 HydrophobicContact CE1-CG2 4.48Å; L110-V140 HydrophobicContact CB-CG2 3.81Å; L110-V140 HydrophobicContact CD2-CG2 3.6Å; L110-V140 HydrophobicContact CG-CG2 3.84Å; L110-V140 PolarHBondContact O-N 3.03Å; A112-V140 HydrophobicContact CB-CG1 3.87Å; R138-V140 PolarHBondContact O-N 2.64Å; V140-K143 PolarHBondContact O-NZ 3.16Å |
| 141 | T | 80.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -71.3 | 178.9 | -41.5 | 0 | 0 | 0 | 0 | 111.8 | C139 | C139-T141 PolarHBondContact O-N 3.42Š|
| 142 | C | 86.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 55 Ų | 55 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.4 | -172.9 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | H109 L144 P159 | H109-C142 PolarHBondContact CE1-SG 3.05Å; H109-C142 PolarHBondContact ND1-SG 3.3Å; C142-L144 PolarHBondContact O-N 2.89Å; C142-L144 VanDerWaalsContact O-N 3.11Å; C142-L144 VanDerWaalsContact SG-CB 3.53Å; C142-P159 HydrophobicContact CB-CG 3.93Å |
| 143 | K | 90.1 | Very high | 84.4 | Confident | 129 Ų | 129 | 51.5 Ų | 51.5 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | trans | 62.8 | 11.6 | -179.4 | -46 | -54.4 | -176.2 | -169.7 | 0 | 115.9 | R138 C139 V140 A145 | R138-K143 HydrophobicContact CG-CB 4.47Å; C139-K143 WeakPolarHBondContact O-CA 3.34Å; C139-K143 PolarHBondContact O-N 2.96Å; V140-K143 PolarHBondContact O-NZ 3.16Å; K143-A145 PolarHBondContact O-N 2.83Å | ||
| 144 | L | 91.2 | Very high | 85.7 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -50.5 | 127.6 | 171.3 | -178.3 | 68.5 | 0 | 0 | 0 | 110.8 | H109 F111 T123 R138 C139 C142 V146 V154 | H109-L144 VanDerWaalsContact CE1-CD2 3.46Å; H109-L144 WeakPolarHBondContact CE1-CD2 3.34Å; F111-L144 HydrophobicContact CE1-CB 4.49Å; F111-L144 HydrophobicContact CE1-CD2 4.4Å; F111-L144 HydrophobicContact CE1-CG 4.45Å; F111-L144 HydrophobicContact CZ-CD2 3.9Å; F111-L144 HydrophobicContact CZ-CG 4.43Å; T123-L144 HydrophobicContact CG2-CD1 3.63Å; T123-L144 VanDerWaalsContact OG1-CD1 3.31Å; T123-L144 WeakPolarHBondContact OG1-CD1 3.35Å; R138-L144 CarbonylContact C-O 3.36Å; R138-L144 VanDerWaalsContact CA-O 3.29Å; R138-L144 WeakPolarHBondContact CA-O 3.49Å; C139-L144 HydrophobicContact CB-CB 4.06Å; C139-L144 PolarHBondContact N-O 3.04Å; C142-L144 PolarHBondContact O-N 2.89Å; C142-L144 VanDerWaalsContact O-N 3.11Å; C142-L144 VanDerWaalsContact SG-CB 3.53Å; L144-V146 HydrophobicContact CG-CG1 4.46Å; L144-V154 HydrophobicContact CD2-CG1 4Å; L144-V154 HydrophobicContact CD2-CG2 4.37Å | ||
| 145 | A | 91.6 | Very high | 86.9 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F116 T123 F137 K143 | F116-A145 HydrophobicContact CD1-CB 4.45Å; F116-A145 HydrophobicContact CE1-CB 3.44Å; F116-A145 VanDerWaalsContact CE1-CB 3.44Å; F116-A145 HydrophobicContact CZ-CB 3.79Å; T123-A145 PolarHBondContact N-O 3.47Å; T123-A145 PolarHBondContact OG1-O 3.06Å; F137-A145 WeakPolarHBondContact O-CA 3.45Å; K143-A145 PolarHBondContact O-N 2.83Å |
| 146 | V | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 157.1 | -176.4 | -61 | 0 | 0 | 0 | 0 | 111.7 | F111 C122 I124 G136 F137 L144 C150 H151 V154 | F111-V146 HydrophobicContact CD1-CG2 4.2Å; F111-V146 HydrophobicContact CE1-CG2 3.83Å; F111-V146 HydrophobicContact CZ-CG2 4.27Å; C122-V146 VanDerWaalsContact SG-CA 3.58Å; I124-V146 HydrophobicContact CG1-CG1 3.81Å; G136-V146 CarbonylContact C-O 3.59Å; G136-V146 VanDerWaalsContact CA-O 3.28Å; G136-V146 WeakPolarHBondContact CA-O 3.43Å; F137-V146 HydrophobicContact CB-CG2 3.87Å; F137-V146 PolarHBondContact N-O 2.96Å; F137-V146 PolarHBondContact O-N 3.39Å; L144-V146 HydrophobicContact CG-CG1 4.46Å; V146-C150 HydrophobicContact CB-CB 4.24Å; V146-H151 HydrophobicContact CG2-CB 3.7Å; V146-V154 HydrophobicContact CG1-CG2 4.06Å |
| 147 | H | 87.1 | Confident | 87.6 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 157.7 | 167.6 | -64.5 | 109.7 | 0 | 0 | 0 | 111.2 | C122 C125 R128 K149 C150 H151 | C122-H147 WeakPolarHBondContact CB-ND1 3.44Å; C122-H147 PolarHBondContact SG-N 2.83Å; C125-H147 PolarHBondContact SG-CE1 2.91Å; C125-H147 PolarHBondContact SG-ND1 3.3Å; R128-H147 PolarHBondContact O-CE1 3.21Å; R128-H147 PolarHBondContact O-NE2 2.94Å; H147-K149 HydrophobicContact CB-CG 3.98Å; H147-K149 PolarHBondContact O-N 2.84Å; H147-C150 HydrophobicContact CB-CB 4.08Å; H147-C150 PolarHBondContact O-N 2.92Å; H147-H151 PolarHBondContact O-N 2.84Å |
| 148 | K | 85.7 | Confident | 87.4 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -38.1 | 171.8 | -70.6 | -176.3 | 179.3 | 164.3 | 0 | 113 | R134 F137 C150 H151 | R134-K148 WeakPolarHBondContact O-CE 3.45Å; R134-K148 PolarHBondContact O-NZ 2.85Å; F137-K148 HydrophobicContact CD2-CB 4.32Å; F137-K148 HydrophobicContact CD2-CG 4.23Å; F137-K148 HydrophobicContact CE2-CB 3.97Å; F137-K148 HydrophobicContact CE2-CG 3.96Å; F137-K148 HydrophobicContact CZ-CG 4.13Å; K148-C150 VanDerWaalsContact C-N 3.35Å; K148-H151 PolarHBondContact O-CE1 3.34Å; K148-H151 PolarHBondContact O-ND1 3.14Å |
| 149 | K | 86.5 | Confident | 87.1 | Confident | 169 Ų | 169 | 65.5 Ų | 65.5 | 74% | 0.735 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.7 | 175 | 62.5 | -177.9 | 179 | -177.5 | 0 | 113.9 | H147 | H147-K149 HydrophobicContact CB-CG 3.98Å; H147-K149 PolarHBondContact O-N 2.84Å |
| 150 | C | 89.1 | Confident | 86.2 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.9 | -171.2 | -67.2 | 0 | 0 | 0 | 0 | 114.6 | I124 V146 H147 K148 K152 L153 | I124-C150 HydrophobicContact CB-CB 4.03Å; I124-C150 HydrophobicContact CG1-CB 4.3Å; I124-C150 HydrophobicContact CG2-CB 4.29Å; V146-C150 HydrophobicContact CB-CB 4.24Å; H147-C150 HydrophobicContact CB-CB 4.08Å; H147-C150 PolarHBondContact O-N 2.92Å; K148-C150 VanDerWaalsContact C-N 3.35Å; C150-K152 PolarHBondContact O-N 3.47Å; C150-L153 WeakPolarHBondContact O-CB 3.49Å; C150-L153 PolarHBondContact O-N 3.31Å |
| 151 | H | 86.5 | Confident | 85.2 | Confident | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -57.3 | -34.1 | -178.7 | 72.9 | -60.1 | 0 | 0 | 0 | 113.7 | Y16 Y104 I106 F111 F137 V146 H147 K148 L153 V154 | Y16-H151 PolarHBondContact OH-NE2 3.26Å; Y104-H151 AromaticContact CD1-NE2 3.72Å; I106-H151 VanDerWaalsContact CD1-C 3.46Å; I106-H151 HydrophobicContact CD1-CB 4.11Å; I106-H151 WeakPolarHBondContact CD1-CD2 3.09Å; I106-H151 WeakPolarHBondContact CD1-O 3.48Å; F111-H151 HydrophobicContact CD2-CB 4.3Å; F137-H151 HydrophobicContact CB-CB 4.48Å; F137-H151 HydrophobicContact CD2-CB 3.66Å; F137-H151 AromaticContact CD2-CG 3.5Å; F137-H151 AromaticContact CD2-ND1 3.63Å; F137-H151 HydrophobicContact CE2-CB 4.38Å; F137-H151 AromaticContact CE2-CD2 3.97Å; F137-H151 AromaticContact CE2-CE1 3.63Å; F137-H151 AromaticContact CE2-CG 3.72Å; F137-H151 AromaticContact CE2-ND1 3.49Å; F137-H151 WeakPolarHBondContact CE2-ND1 3.49Å; F137-H151 AromaticContact CE2-NE2 3.97Å; F137-H151 HydrophobicContact CG-CB 4.44Å; V146-H151 HydrophobicContact CG2-CB 3.7Å; H147-H151 PolarHBondContact O-N 2.84Å; K148-H151 PolarHBondContact O-CE1 3.34Å; K148-H151 PolarHBondContact O-ND1 3.14Å; H151-L153 PolarHBondContact O-N 3.34Å; H151-V154 WeakPolarHBondContact O-CB 3.16Å; H151-V154 VanDerWaalsContact O-CG2 3.29Å; H151-V154 WeakPolarHBondContact O-CG2 3.32Å; H151-V154 PolarHBondContact O-N 2.98Å |
| 152 | K | 83.8 | Confident | 83.8 | Confident | 110 Ų | 110 | 71.3 Ų | 71.3 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -67.6 | -14.3 | 176.3 | -59.9 | -171.9 | -179.6 | -173.1 | 0 | 114.5 | Y16 I106 C150 | Y16-K152 WeakPolarHBondContact OH-CE 3.46Å; I106-K152 HydrophobicContact CD1-CG 4.43Å; C150-K152 PolarHBondContact O-N 3.47Å |
| 153 | L | 88.6 | Confident | 81.5 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -97 | 1.3 | -178.9 | -56.2 | 177 | 0 | 0 | 0 | 112.3 | I124 C150 H151 Q155 | I124-L153 HydrophobicContact CG2-CB 3.91Å; I124-L153 HydrophobicContact CG2-CD1 4.13Å; C150-L153 WeakPolarHBondContact O-CB 3.49Å; C150-L153 PolarHBondContact O-N 3.31Å; H151-L153 PolarHBondContact O-N 3.34Å; L153-Q155 PolarHBondContact O-N 3.23Å |
| 154 | V | 87.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | trans | -71.6 | 115.7 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | I106 H107 F111 I124 L144 V146 H151 M156 | I106-V154 HydrophobicContact CG2-CB 4.22Å; H107-V154 PolarHBondContact CD2-O 3Å; F111-V154 HydrophobicContact CE2-CG2 4.12Å; F111-V154 HydrophobicContact CZ-CG1 4.49Å; F111-V154 HydrophobicContact CZ-CG2 3.87Å; I124-V154 HydrophobicContact CD1-CG2 3.97Å; I124-V154 HydrophobicContact CG1-CG2 4.13Å; L144-V154 HydrophobicContact CD2-CG1 4Å; L144-V154 HydrophobicContact CD2-CG2 4.37Å; V146-V154 HydrophobicContact CG1-CG2 4.06Å; H151-V154 WeakPolarHBondContact O-CB 3.16Å; H151-V154 VanDerWaalsContact O-CG2 3.29Å; H151-V154 WeakPolarHBondContact O-CG2 3.32Å; H151-V154 PolarHBondContact O-N 2.98Å; V154-M156 HydrophobicContact CG1-CG 4.04Å | ||
| 155 | Q | 88.5 | Confident | 76 | Confident | 168 Ų | 168 | 78.8 Ų | 78.8 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | trans | -107.3 | -10.7 | 179.5 | -67.6 | -174.8 | -16.6 | 0 | 0 | 113.6 | L153 | L153-Q155 PolarHBondContact O-N 3.23Š| ||
| 156 | M | 88.1 | Confident | 73 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -86.1 | 143.7 | 178.4 | 56.2 | -163.3 | 45.7 | 0 | 0 | 110.8 | H107 H109 V154 | H107-M156 WeakPolarHBondContact CB-O 3.41Å; H109-M156 PolarHBondContact CD2-O 3.46Å; H109-M156 PolarHBondContact NE2-O 3.27Å; V154-M156 HydrophobicContact CG1-CG 4.04Å |
| 157 | D | 86.5 | Confident | 70 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 146 | 175.2 | -66.5 | -45.4 | 0 | 0 | 0 | 111.5 | H107 P159 | H107-D157 IonicContact CG-OD1 3.82Å; H107-D157 IonicContact ND1-OD1 2.78Å; H107-D157 WeakPolarHBondContact O-CA 3.26Å; D157-P159 WeakPolarHBondContact O-CD 3.44Å |
| 158 | C | 85.9 | Confident | 67.2 | Low | 3 Ų | 3 | 103.2 Ų | 103.2 | 2% | 0.02 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 120.3 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | H107 G108 H109 G160 Y161 | H107-C158 PolarHBondContact O-N 3.43Å; G108-C158 WeakPolarHBondContact O-CB 3.34Å; H109-C158 HydrophobicContact CB-CB 4.36Å; H109-C158 VanDerWaalsContact CE1-CA 3.43Å; H109-C158 WeakPolarHBondContact CE1-CA 3.14Å; H109-C158 WeakPolarHBondContact NE2-CA 3.36Å; H109-C158 PolarHBondContact NE2-N 2.81Å; C158-G160 PolarHBondContact O-N 2.92Å; C158-G160 VanDerWaalsContact O-N 3.07Å; C158-Y161 PolarHBondContact O-N 3.25Å |
| 159 | P | 82.9 | Confident | 64.4 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 75% | 0.753 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.9 | 179.7 | 27.7 | -35.2 | 0 | 0 | 0 | 112.8 | C142 D157 Y161 | C142-P159 HydrophobicContact CB-CG 3.93Å; D157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-Y161 VanDerWaalsContact C-N 3.33Å |
| 160 | G | 68.5 | Low | 61.4 | Low | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C158 | C158-G160 PolarHBondContact O-N 2.92Å; C158-G160 VanDerWaalsContact O-N 3.07Å |
| 161 | Y | 62 | Low | 58.3 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.1 | 132 | 177.9 | -173.6 | -98.6 | 0 | 0 | 0 | 110 | R105 C158 P159 | R105-Y161 VanDerWaalsContact NH2-CZ 3.3Å; R105-Y161 PolarHBondContact NH2-OH 2.68Å; R105-Y161 VanDerWaalsContact NH2-OH 3.13Å; C158-Y161 PolarHBondContact O-N 3.25Å; P159-Y161 VanDerWaalsContact C-N 3.33Å |
| 162 | P | 51.1 | Low | 55.3 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -111.3 | 99.7 | 1.6 | 34.8 | -18.1 | 0 | 0 | 0 | 111 | ||
| 163 | L | 39.2 | Very low | 52.6 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 81% | 0.812 | 63% | 0.628 | S | S | * | * | trans | -136.1 | 150.5 | 167 | -79.3 | 178.1 | 0 | 0 | 0 | 110.5 | ||||
| 164 | P | 35.4 | Very low | 49.5 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | -94.1 | 161.2 | -114.3 | 32.9 | -37.3 | 0 | 0 | 0 | 114.7 | R166 | P164-R166 PolarHBondContact O-N 3.2Š| |||
| 165 | V | 30.1 | Very low | 46.4 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 56% | 0.558 | 67% | 0.67 | S | S | * | * | trans | -29.7 | 100.6 | 165.7 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | Q35 | Q35-V165 HydrophobicContact CB-CG2 4.49Š| ||
| 166 | R | 28.8 | Very low | 43.5 | Very low | 237 Ų | 237 | 121.5 Ų | 121.5 | 89% | 0.894 | 68% | 0.676 | S | S | * | * | trans | -116 | 73 | 152.6 | -78.9 | -165.3 | 175 | -157.9 | -0.1 | 108.2 | P164 | P164-R166 PolarHBondContact O-N 3.2Š| ||
| 167 | Y | 28.3 | Very low | 40.4 | Very low | 177 Ų | 177 | 126 Ų | 126 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | trans | -156.5 | 91 | 146.6 | -109.4 | -83.6 | 0 | 0 | 0 | 106.8 | ||||
| 168 | I | 27.7 | Very low | 37.6 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 70% | 0.703 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 179.3 | 120.5 | 140.9 | -86.3 | 152 | 0 | 0 | 0 | 107.9 | F9 | F9-I168 HydrophobicContact CZ-CD1 4.39Š|
| 169 | S | 26.4 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 77.6 | 116.4 | 158.1 | -172.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 170 | C | 23.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | 18.4 | 119.5 | 142.4 | -66.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 171 | L | 24.4 | Very low | 29.6 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 93% | 0.927 | 77% | 0.771 | S | S | * | * | -174.1 | 136 | 125.8 | -93.3 | 152 | 0 | 0 | 0 | 109.4 | |||||
| 172 | M | 24.3 | Very low | 27.9 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -53.6 | 166.9 | -176.2 | -64.5 | -95.9 | 170.7 | 0 | 0 | 113.8 | ||||
| 173 | P | 26.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -135.8 | 150.3 | 117.6 | 30 | -13.9 | 0 | 0 | 0 | 114.6 | |||||
| 174 | S | 23.5 | Very low | 26.1 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -63.4 | 144.8 | 179.6 | 46.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 175 | S | 22.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 55.9 | 107.5 | 141.6 | 53.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 176 | V | 27.7 | Very low | 25.7 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 92% | 0.915 | 82% | 0.815 | S | S | * | * | trans | -135.5 | 116.5 | 139.5 | -119.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 177 | E | 21.9 | Very low | 26.1 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 137.5 | 166.8 | -69.8 | 176.9 | 147 | 0 | 0 | 109.6 | ||||
| 178 | G | 27.7 | Very low | 27.2 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -173 | 94.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 179 | T | 22.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 151.2 | -168.6 | -16.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 180 | M | 23.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 78.3 | 109.9 | 151.9 | -58.6 | -177.4 | 95.4 | 0 | 0 | 119.5 | ||||
| 181 | G | 24.5 | Very low | 35.4 | Very low | 80 Ų | 80 | 118.4 Ų | 118.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | 105.9 | 90.8 | 117.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 182 | S | 26 | Very low | 38.7 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -155.1 | 110.5 | 134.3 | -159 | 0 | 0 | 0 | 0 | 109.7 | A184 | S182-A184 PolarHBondContact O-N 3.09Š| ||
| 183 | S | 23.4 | Very low | 42.1 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -55.6 | 99.4 | 161.3 | 32.4 | 0 | 0 | 0 | 0 | 109.2 | S185 | S183-S185 PolarHBondContact O-N 2.78Š| ||
| 184 | A | 28.5 | Very low | 45.3 | Very low | 94 Ų | 94 | 107.2 Ų | 107.2 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | trans | -63.8 | 106.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | S182 R186 | S182-A184 PolarHBondContact O-N 3.09Å; A184-R186 PolarHBondContact O-N 2.99Å | ||
| 185 | S | 26.1 | Very low | 48.8 | Very low | 98 Ų | 98 | 102.7 Ų | 102.7 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | trans | -50.5 | 122.2 | 169.4 | 54.9 | 0 | 0 | 0 | 0 | 108.9 | S183 S187 | S183-S185 PolarHBondContact O-N 2.78Å; S185-S187 PolarHBondContact O-N 3.15Å | ||
| 186 | R | 32.3 | Very low | 52.3 | Low | 258 Ų | 258 | 100.4 Ų | 100.4 | 97% | 0.974 | 63% | 0.631 | S | S | * | * | trans | -60 | 87.9 | 163.3 | -83.2 | 175.3 | 148 | -176.5 | -7.5 | 108.5 | A184 G188 | A184-R186 PolarHBondContact O-N 2.99Å; R186-G188 PolarHBondContact O-N 2.74Å | ||
| 187 | S | 35.9 | Very low | 55.5 | Low | 100 Ų | 100 | 96 Ų | 96 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | trans | -87.8 | 96.9 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 108.9 | S185 G189 | S185-S187 PolarHBondContact O-N 3.15Å; S187-G189 PolarHBondContact O-N 3.12Å | ||
| 188 | G | 52.7 | Low | 59 | Low | 77 Ų | 77 | 88.4 Ų | 88.4 | 79% | 0.794 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 46.1 | 7.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122 | R186 | R186-G188 PolarHBondContact O-N 2.74Š|
| 189 | G | 70.3 | Confident | 62.2 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | trans | -78.3 | 139.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S187 | S187-G189 PolarHBondContact O-N 3.12Š| ||
| 190 | V | 86.4 | Confident | 65.6 | Low | 14 Ų | 14 | 81.9 Ų | 81.9 | 9% | 0.085 | 51% | 0.506 | C | S | . | . | trans | -74.2 | 139.8 | 170.3 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | F195 Y214 F263 V528 | V190-F195 HydrophobicContact CG1-CE2 3.36Å; V190-F195 HydrophobicContact CG1-CZ 3.63Å; V190-Y214 HydrophobicContact CG1-CE2 4.49Å; V190-F263 HydrophobicContact CG1-CD1 3.98Å; V190-F263 HydrophobicContact CG1-CE1 4.23Å; V190-F263 WeakPolarHBondContact O-CB 3.46Å; V190-V528 HydrophobicContact CG2-CG2 4Å | ||
| 191 | S | 93 | Very high | 68.9 | Low | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | trans | -134 | 170.2 | -178.3 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | E193 D194 F195 | S191-E193 PolarHBondContact O-N 3.36Å; S191-E193 PolarHBondContact OG-N 2.96Å; S191-D194 WeakPolarHBondContact CA-OD2 3.43Å; S191-D194 WeakPolarHBondContact CB-OD2 3.48Å; S191-D194 PolarHBondContact N-OD2 3.28Å; S191-D194 WeakPolarHBondContact O-CB 3.49Å; S191-D194 PolarHBondContact O-N 3.13Å; S191-D194 VanDerWaalsContact O-N 3.14Å; S191-D194 PolarHBondContact OG-OD2 2.61Å; S191-F195 VanDerWaalsContact O-CD2 3.26Å; S191-F195 WeakPolarHBondContact O-CD2 3.44Å; S191-F195 WeakPolarHBondContact O-CE2 3.31Å | ||
| 192 | L | 94.1 | Very high | 71.9 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.257 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -60.4 | -31.7 | 177.2 | -175.7 | 62.5 | 0 | 0 | 0 | 112.6 | D194 F195 L197 M223 F263 F270 F506 | L192-D194 PolarHBondContact O-N 3.47Å; L192-F195 PolarHBondContact O-N 3.31Å; L192-L197 HydrophobicContact CD1-CD2 4.16Å; L192-M223 HydrophobicContact CD1-CE 4.32Å; L192-M223 HydrophobicContact CD1-SD 4.12Å; L192-F263 HydrophobicContact CB-CE2 3.86Å; L192-F263 HydrophobicContact CB-CZ 4.35Å; L192-F263 HydrophobicContact CD1-CE2 4.5Å; L192-F263 HydrophobicContact CD1-CZ 4.44Å; L192-F263 VanDerWaalsContact N-CE2 3.33Å; L192-F270 HydrophobicContact CD1-CD1 4.44Å; L192-F270 HydrophobicContact CD1-CE1 3.88Å; L192-F270 HydrophobicContact CD1-CZ 4.28Å; L192-F270 HydrophobicContact CD2-CZ 4.24Å; L192-F506 HydrophobicContact CD1-CE2 4.06Å; L192-F506 HydrophobicContact CD1-CZ 4.2Å; L192-F506 HydrophobicContact CD2-CE2 3.8Å |
| 193 | E | 94.3 | Very high | 74.5 | Confident | 157 Ų | 157 | 72 Ų | 72 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -68.9 | -17.4 | -179.1 | -65.3 | 179 | -171.5 | 0 | 0 | 112.5 | S191 F195 K215 | S191-E193 PolarHBondContact O-N 3.36Å; S191-E193 PolarHBondContact OG-N 2.96Å; E193-F195 PolarHBondContact O-N 3.48Å; E193-K215 WeakPolarHBondContact O-CD 3.24Å; E193-K215 WeakPolarHBondContact O-CE 3.17Å; E193-K215 PolarHBondContact O-NZ 3.06Å |
| 194 | D | 94.7 | Very high | 76.7 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -81.3 | -2.4 | 178.6 | -56.8 | -63.4 | 0 | 0 | 0 | 113.3 | S191 L192 Y214 K215 | S191-D194 WeakPolarHBondContact CA-OD2 3.43Å; S191-D194 WeakPolarHBondContact CB-OD2 3.48Å; S191-D194 PolarHBondContact N-OD2 3.28Å; S191-D194 WeakPolarHBondContact O-CB 3.49Å; S191-D194 PolarHBondContact O-N 3.13Å; S191-D194 VanDerWaalsContact O-N 3.14Å; S191-D194 PolarHBondContact OG-OD2 2.61Å; L192-D194 PolarHBondContact O-N 3.47Å; D194-Y214 HydrophobicContact CB-CD2 4.2Å; D194-Y214 HydrophobicContact CB-CE2 3.67Å; D194-Y214 WeakPolarHBondContact O-CD2 3.44Å; D194-K215 WeakPolarHBondContact O-CB 3.11Å; D194-K215 VanDerWaalsContact O-CG 3.31Å; D194-K215 WeakPolarHBondContact O-CG 3.46Å; D194-K215 PolarHBondContact O-N 3.26Å |
| 195 | F | 96.1 | Very high | 78.7 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.035 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.7 | -178.3 | -62.4 | -88.5 | 0 | 0 | 0 | 112.9 | V190 S191 L192 E193 V212 E213 Y214 K215 Y221 M223 F263 V272 | V190-F195 HydrophobicContact CG1-CE2 3.36Å; V190-F195 HydrophobicContact CG1-CZ 3.63Å; S191-F195 VanDerWaalsContact O-CD2 3.26Å; S191-F195 WeakPolarHBondContact O-CD2 3.44Å; S191-F195 WeakPolarHBondContact O-CE2 3.31Å; L192-F195 PolarHBondContact O-N 3.31Å; E193-F195 PolarHBondContact O-N 3.48Å; F195-V212 HydrophobicContact CB-CB 4.3Å; F195-V212 HydrophobicContact CD1-CB 4.18Å; F195-V212 HydrophobicContact CD1-CG2 3.76Å; F195-V212 HydrophobicContact CE1-CG2 4.3Å; F195-V212 HydrophobicContact CG-CG2 4.46Å; F195-E213 CarbonylContact C-O 3.57Å; F195-E213 VanDerWaalsContact CA-O 3.31Å; F195-E213 WeakPolarHBondContact CA-O 3.3Å; F195-Y214 HydrophobicContact CD1-CD2 4Å; F195-Y214 AromaticContact CE1-CD2 3.54Å; F195-Y214 HydrophobicContact CE1-CD2 3.54Å; F195-Y214 HydrophobicContact CE1-CE2 4.45Å; F195-Y214 HydrophobicContact CE1-CG 4.07Å; F195-Y214 HydrophobicContact CE2-CD2 4.27Å; F195-Y214 AromaticContact CZ-CD2 3.68Å; F195-Y214 HydrophobicContact CZ-CD2 3.68Å; F195-Y214 HydrophobicContact CZ-CE2 4.16Å; F195-K215 WeakPolarHBondContact O-CE 3.46Å; F195-Y221 HydrophobicContact CE1-CD2 4.41Å; F195-M223 HydrophobicContact CB-CE 3.99Å; F195-M223 HydrophobicContact CD1-CE 4.16Å; F195-M223 HydrophobicContact CD2-CE 3.66Å; F195-M223 HydrophobicContact CE2-CE 4.16Å; F195-M223 HydrophobicContact CG-CE 3.66Å; F195-F263 HydrophobicContact CD2-CE1 4.2Å; F195-F263 HydrophobicContact CD2-CZ 4.27Å; F195-F263 HydrophobicContact CE2-CD1 4.49Å; F195-F263 AromaticContact CE2-CE1 3.62Å; F195-F263 HydrophobicContact CE2-CE1 3.62Å; F195-F263 HydrophobicContact CE2-CZ 4.14Å; F195-F263 HydrophobicContact CZ-CE1 4.4Å; F195-V272 HydrophobicContact CE1-CG1 3.95Å; F195-V272 HydrophobicContact CE1-CG2 4.28Å; F195-V272 HydrophobicContact CE2-CG2 4.15Å; F195-V272 HydrophobicContact CZ-CB 4.49Å; F195-V272 HydrophobicContact CZ-CG1 4.05Å; F195-V272 HydrophobicContact CZ-CG2 3.72Å |
| 196 | N | 96.2 | Very high | 80.8 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.3 | 160.2 | -62.6 | -37.9 | 0 | 0 | 0 | 108.1 | L198 V212 E213 K215 | N196-L198 HydrophobicContact CB-CD2 4.17Å; N196-V212 CarbonylContact O-C 3.48Å; N196-V212 VanDerWaalsContact O-CA 3.26Å; N196-V212 WeakPolarHBondContact O-CA 3.41Å; N196-E213 HydrophobicContact CB-CB 4.24Å; N196-E213 PolarHBondContact N-O 3.12Å; N196-E213 PolarHBondContact ND2-OE2 3.12Å; N196-E213 PolarHBondContact O-N 2.95Å; N196-K215 WeakPolarHBondContact OD1-CE 3.33Å |
| 197 | L | 96.3 | Very high | 83.3 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.2 | 173.9 | -52.9 | -178.5 | 0 | 0 | 0 | 108.6 | L192 V212 M223 V504 F506 | L192-L197 HydrophobicContact CD1-CD2 4.16Å; L197-V212 HydrophobicContact CD2-CG1 3.63Å; L197-M223 HydrophobicContact CD2-CE 4.45Å; L197-M223 HydrophobicContact CD2-SD 4.14Å; L197-V504 HydrophobicContact CB-CG1 3.58Å; L197-F506 HydrophobicContact CD1-CE2 3.73Å; L197-F506 HydrophobicContact CD1-CZ 3.79Å |
| 198 | L | 94.9 | Very high | 85.8 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -53.3 | -171.8 | -59.1 | -176.5 | 0 | 0 | 0 | 112.7 | N196 Q211 E213 L220 V504 | N196-L198 HydrophobicContact CB-CD2 4.17Å; L198-Q211 WeakPolarHBondContact CB-O 3.39Å; L198-Q211 HydrophobicContact CD1-CG 4.3Å; L198-Q211 PolarHBondContact N-O 2.73Å; L198-E213 HydrophobicContact CD1-CB 4.03Å; L198-E213 HydrophobicContact CG-CB 4.4Å; L198-L220 HydrophobicContact CD1-CD2 3.48Å; L198-L220 VanDerWaalsContact CD1-CD2 3.48Å; L198-V504 WeakPolarHBondContact O-CG2 3.48Å |
| 199 | K | 95.4 | Very high | 87.7 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 152.5 | -174.4 | -145.5 | 75.2 | -175 | 176.6 | 0 | 113 | L210 Q211 L492 T500 V504 | K199-L210 CarbonylContact O-C 3.45Å; K199-L210 WeakPolarHBondContact O-CA 3.26Å; K199-L210 WeakPolarHBondContact O-CB 2.99Å; K199-Q211 HydrophobicContact CB-CB 4.45Å; K199-Q211 PolarHBondContact N-O 2.85Å; K199-Q211 PolarHBondContact O-N 3.42Å; K199-L492 HydrophobicContact CB-CD1 3.47Å; K199-L492 VanDerWaalsContact CB-CD1 3.47Å; K199-L492 HydrophobicContact CD-CD1 4.42Å; K199-L492 HydrophobicContact CG-CD1 3.46Å; K199-L492 VanDerWaalsContact CG-CD1 3.46Å; K199-T500 WeakPolarHBondContact CE-O 3.35Å; K199-T500 PolarHBondContact NZ-O 3.4Å; K199-V504 HydrophobicContact CD-CG2 4.43Å |
| 200 | V | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.8 | 165.5 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | K208 L210 F499 T500 E502 | V200-K208 HydrophobicContact CG1-CD 4.45Å; V200-K208 VanDerWaalsContact CG1-CE 3.46Å; V200-K208 HydrophobicContact CG1-CG 4.17Å; V200-L210 HydrophobicContact CG2-CD2 4.48Å; V200-F499 WeakPolarHBondContact CB-O 3.45Å; V200-F499 HydrophobicContact CG1-CB 4.35Å; V200-F499 CarbonylContact O-C 3.43Å; V200-T500 WeakPolarHBondContact O-CA 3.35Å; V200-T500 PolarHBondContact O-N 3.33Å; V200-E502 HydrophobicContact CB-CB 4.09Å; V200-E502 HydrophobicContact CG1-CB 4.39Å; V200-E502 HydrophobicContact CG2-CB 3.93Å |
| 201 | I | 92.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -10.8 | -177.2 | 61.2 | 174.6 | 0 | 0 | 0 | 113 | V209 Q211 A222 F275 L492 F495 | I201-V209 HydrophobicContact CD1-CG1 3.93Å; I201-V209 HydrophobicContact CG1-CB 4.14Å; I201-V209 HydrophobicContact CG1-CG1 3.76Å; I201-V209 PolarHBondContact N-O 2.92Å; I201-Q211 HydrophobicContact CD1-CB 4.46Å; I201-Q211 HydrophobicContact CG2-CB 3.85Å; I201-A222 HydrophobicContact CD1-CB 4.05Å; I201-F275 HydrophobicContact CD1-CD2 4.12Å; I201-F275 HydrophobicContact CD1-CE2 3.93Å; I201-L492 HydrophobicContact CG2-CD1 4.18Å; I201-L492 HydrophobicContact CG2-CD2 3.81Å; I201-F495 HydrophobicContact CB-CD1 3.79Å; I201-F495 HydrophobicContact CB-CE1 3.99Å; I201-F495 HydrophobicContact CB-CG 4.44Å; I201-F495 HydrophobicContact CD1-CE1 4.22Å; I201-F495 HydrophobicContact CG2-CD1 4.31Å; I201-F495 HydrophobicContact CG2-CE1 4.47Å |
| 202 | G | 86.7 | Confident | 89.6 | Confident | 12 Ų | 12 | 46 Ų | 46 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 164.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | V209 | G202-V209 PolarHBondContact N-O 3.19Å; G202-V209 PolarHBondContact O-N 3.38Å |
| 203 | R | 81.1 | Confident | 89.7 | Confident | 145 Ų | 145 | 44.6 Ų | 44.6 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132 | 170.2 | -94.2 | -177.3 | -179 | -118.3 | 5.4 | 109.8 | F499 E502 | R203-F499 HydrophobicContact CB-CD1 4.39Å; R203-F499 HydrophobicContact CB-CE1 4.03Å; R203-E502 IonicContact CZ-OE1 3.63Å; R203-E502 IonicContact NE-OE1 3.99Å; R203-E502 PolarHBondContact NE-OE1 2.8Å; R203-E502 IonicContact NE-OE2 3.23Å; R203-E502 IonicContact NH2-OE2 3.76Å |
| 204 | G | 70.2 | Confident | 89.7 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 44% | 0.443 | 20% | 0.2 | S | C | . | . | trans | -106.4 | -175.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y206 A207 | G204-Y206 VanDerWaalsContact C-N 3.26Å; G204-Y206 PolarHBondContact O-N 2.87Å; G204-A207 PolarHBondContact N-O 3.4Å | ||
| 205 | S | 68.9 | Low | 89.7 | Confident | 108 Ų | 108 | 40.1 Ų | 40.1 | 76% | 0.755 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -58.7 | -35.7 | 178.7 | -50.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 206 | Y | 72.1 | Confident | 89.4 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -120.5 | -7 | -174.5 | -55.7 | -75.6 | 0 | 0 | 0 | 113.8 | A97 G204 M230 W239 | A97-Y206 PolarHBondContact O-OH 3.18Å; G204-Y206 VanDerWaalsContact C-N 3.26Å; G204-Y206 PolarHBondContact O-N 2.87Å; Y206-M230 HydrophobicContact CD1-CE 3.88Å; Y206-M230 HydrophobicContact CE1-CE 4.3Å; Y206-W239 HydrophobicContact CD2-CH2 4.37Å; Y206-W239 HydrophobicContact CD2-CZ2 4.45Å |
| 207 | A | 82.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 45 Ų | 45 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G204 K224 V225 I226 | G204-A207 PolarHBondContact N-O 3.4Å; A207-K224 HydrophobicContact CB-CD 4.17Å; A207-K224 VanDerWaalsContact CB-CE 3.46Å; A207-K224 HydrophobicContact CB-CG 3.64Å; A207-V225 VanDerWaalsContact CA-O 3.29Å; A207-V225 WeakPolarHBondContact CA-O 3.5Å; A207-I226 HydrophobicContact CB-CG1 4.14Å |
| 208 | K | 88.3 | Confident | 89 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 14% | 0.135 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.3 | 164.4 | -175.6 | 169.5 | 178.6 | 163.5 | 0 | 107.9 | V200 L210 V225 E502 P503 M505 | V200-K208 HydrophobicContact CG1-CD 4.45Å; V200-K208 VanDerWaalsContact CG1-CE 3.46Å; V200-K208 HydrophobicContact CG1-CG 4.17Å; K208-L210 HydrophobicContact CG-CD1 4.19Å; K208-V225 PolarHBondContact N-O 3.16Å; K208-V225 PolarHBondContact O-N 3.15Å; K208-E502 IonicContact NZ-OE2 2.73Å; K208-E502 PolarHBondContact NZ-OE2 2.65Å; K208-E502 VanDerWaalsContact NZ-OE2 3.14Å; K208-P503 PolarHBondContact NZ-O 3.44Å; K208-M505 PolarHBondContact NZ-O 3.49Å |
| 209 | V | 93.9 | Very high | 88.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.4 | -179.8 | -168.3 | 0 | 0 | 0 | 0 | 109 | I201 G202 A222 M223 K224 | I201-V209 HydrophobicContact CD1-CG1 3.93Å; I201-V209 HydrophobicContact CG1-CB 4.14Å; I201-V209 HydrophobicContact CG1-CG1 3.76Å; I201-V209 PolarHBondContact N-O 2.92Å; G202-V209 PolarHBondContact N-O 3.19Å; G202-V209 PolarHBondContact O-N 3.38Å; V209-A222 HydrophobicContact CG1-CB 4.22Å; V209-M223 WeakPolarHBondContact CA-O 3.4Å; V209-K224 HydrophobicContact CG2-CG 4.33Å |
| 210 | L | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.7 | 179.5 | -58.3 | 96.3 | 0 | 0 | 0 | 110.8 | K199 V200 K208 V212 A222 M223 V225 V504 F506 | K199-L210 CarbonylContact O-C 3.45Å; K199-L210 WeakPolarHBondContact O-CA 3.26Å; K199-L210 WeakPolarHBondContact O-CB 2.99Å; V200-L210 HydrophobicContact CG2-CD2 4.48Å; K208-L210 HydrophobicContact CG-CD1 4.19Å; L210-V212 HydrophobicContact CB-CG1 4.11Å; L210-A222 CarbonylContact O-C 3.6Å; L210-A222 WeakPolarHBondContact O-CA 3.41Å; L210-M223 PolarHBondContact N-O 3.33Å; L210-M223 PolarHBondContact O-N 3.12Å; L210-V225 HydrophobicContact CD1-CB 4.38Å; L210-V225 HydrophobicContact CD1-CG2 3.5Å; L210-V504 HydrophobicContact CD2-CG1 4.04Å; L210-F506 HydrophobicContact CD1-CE1 3.94Å; L210-F506 HydrophobicContact CD2-CE1 4.4Å |
| 211 | Q | 96.7 | Very high | 89 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130.3 | 158.3 | -172.2 | -170.3 | 47.7 | 0 | 0 | 108.2 | L198 K199 I201 L220 F275 | L198-Q211 WeakPolarHBondContact CB-O 3.39Å; L198-Q211 HydrophobicContact CD1-CG 4.3Å; L198-Q211 PolarHBondContact N-O 2.73Å; K199-Q211 HydrophobicContact CB-CB 4.45Å; K199-Q211 PolarHBondContact N-O 2.85Å; K199-Q211 PolarHBondContact O-N 3.42Å; I201-Q211 HydrophobicContact CD1-CB 4.46Å; I201-Q211 HydrophobicContact CG2-CB 3.85Å; Q211-L220 HydrophobicContact CG-CD2 4.36Å; Q211-F275 HydrophobicContact CB-CE2 4.43Å; Q211-F275 HydrophobicContact CG-CD2 4.32Å; Q211-F275 HydrophobicContact CG-CE2 4.1Å; Q211-F275 HydrophobicContact CG-CZ 4.25Å; Q211-F275 VanDerWaalsContact NE2-CE1 3.31Å |
| 212 | V | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.4 | -179.7 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | F195 N196 L197 L210 L220 Y221 M223 | F195-V212 HydrophobicContact CB-CB 4.3Å; F195-V212 HydrophobicContact CD1-CB 4.18Å; F195-V212 HydrophobicContact CD1-CG2 3.76Å; F195-V212 HydrophobicContact CE1-CG2 4.3Å; F195-V212 HydrophobicContact CG-CG2 4.46Å; N196-V212 CarbonylContact O-C 3.48Å; N196-V212 VanDerWaalsContact O-CA 3.26Å; N196-V212 WeakPolarHBondContact O-CA 3.41Å; L197-V212 HydrophobicContact CD2-CG1 3.63Å; L210-V212 HydrophobicContact CB-CG1 4.11Å; V212-L220 CarbonylContact O-C 3.31Å; V212-L220 WeakPolarHBondContact O-CA 3.45Å; V212-Y221 WeakPolarHBondContact CG2-O 3.44Å; V212-Y221 PolarHBondContact N-O 3.31Å; V212-Y221 PolarHBondContact O-N 2.69Å; V212-M223 HydrophobicContact CB-CB 4.41Å; V212-M223 HydrophobicContact CB-CE 4.31Å; V212-M223 HydrophobicContact CG1-CB 3.59Å; V212-M223 HydrophobicContact CG1-CE 3.89Å; V212-M223 HydrophobicContact CG1-CG 4.4Å; V212-M223 HydrophobicContact CG1-SD 4.01Å; V212-M223 HydrophobicContact CG2-CB 3.9Å; V212-M223 HydrophobicContact CG2-CE 4.09Å |
| 213 | E | 96.2 | Very high | 89.7 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.1 | 173.7 | 174.1 | -176.5 | -106 | 0 | 0 | 109 | F195 N196 L198 K215 N218 Q219 L220 R490 | F195-E213 CarbonylContact C-O 3.57Å; F195-E213 VanDerWaalsContact CA-O 3.31Å; F195-E213 WeakPolarHBondContact CA-O 3.3Å; N196-E213 HydrophobicContact CB-CB 4.24Å; N196-E213 PolarHBondContact N-O 3.12Å; N196-E213 PolarHBondContact ND2-OE2 3.12Å; N196-E213 PolarHBondContact O-N 2.95Å; L198-E213 HydrophobicContact CD1-CB 4.03Å; L198-E213 HydrophobicContact CG-CB 4.4Å; E213-K215 PolarHBondContact O-N 2.95Å; E213-N218 HydrophobicContact CG-CB 4.45Å; E213-Q219 WeakPolarHBondContact CA-O 3.33Å; E213-L220 HydrophobicContact CB-CD2 4.05Å; E213-R490 IonicContact OE1-CZ 3.69Å; E213-R490 IonicContact OE1-NH2 2.65Å; E213-R490 PolarHBondContact OE1-NH2 3.09Å; E213-R490 IonicContact OE2-NH2 3.48Å; E213-R490 PolarHBondContact OE2-NH2 3.14Å |
| 214 | Y | 94.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.8 | 175.8 | -172.6 | -132.5 | 0 | 0 | 0 | 109.8 | V190 D194 F195 K216 T217 N218 Q219 | V190-Y214 HydrophobicContact CG1-CE2 4.49Å; D194-Y214 HydrophobicContact CB-CD2 4.2Å; D194-Y214 HydrophobicContact CB-CE2 3.67Å; D194-Y214 WeakPolarHBondContact O-CD2 3.44Å; F195-Y214 HydrophobicContact CD1-CD2 4Å; F195-Y214 AromaticContact CE1-CD2 3.54Å; F195-Y214 HydrophobicContact CE1-CD2 3.54Å; F195-Y214 HydrophobicContact CE1-CE2 4.45Å; F195-Y214 HydrophobicContact CE1-CG 4.07Å; F195-Y214 HydrophobicContact CE2-CD2 4.27Å; F195-Y214 AromaticContact CZ-CD2 3.68Å; F195-Y214 HydrophobicContact CZ-CD2 3.68Å; F195-Y214 HydrophobicContact CZ-CE2 4.16Å; Y214-K216 HydrophobicContact CD1-CB 4.14Å; Y214-K216 HydrophobicContact CE1-CB 3.72Å; Y214-K216 HydrophobicContact CE1-CD 4.13Å; Y214-K216 HydrophobicContact CE1-CG 4.09Å; Y214-K216 PolarHBondContact O-N 3.33Å; Y214-K216 VanDerWaalsContact O-N 3.11Å; Y214-K216 WeakPolarHBondContact OH-CD 3.32Å; Y214-T217 HydrophobicContact CD1-CG2 4.02Å; Y214-T217 WeakPolarHBondContact CD1-OG1 3.46Å; Y214-T217 HydrophobicContact CE1-CG2 4.35Å; Y214-T217 PolarHBondContact O-N 3.37Å; Y214-N218 WeakPolarHBondContact O-CA 3.43Å; Y214-N218 PolarHBondContact O-N 3.46Å; Y214-Q219 PolarHBondContact N-O 2.86Å |
| 215 | K | 94.8 | Very high | 91.5 | Very high | 101 Ų | 101 | 40 Ų | 40 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.5 | -169 | -71.8 | 174.6 | 178.2 | 173.4 | 0 | 113.9 | E193 D194 F195 N196 E213 | E193-K215 WeakPolarHBondContact O-CD 3.24Å; E193-K215 WeakPolarHBondContact O-CE 3.17Å; E193-K215 PolarHBondContact O-NZ 3.06Å; D194-K215 WeakPolarHBondContact O-CB 3.11Å; D194-K215 VanDerWaalsContact O-CG 3.31Å; D194-K215 WeakPolarHBondContact O-CG 3.46Å; D194-K215 PolarHBondContact O-N 3.26Å; F195-K215 WeakPolarHBondContact O-CE 3.46Å; N196-K215 WeakPolarHBondContact OD1-CE 3.33Å; E213-K215 PolarHBondContact O-N 2.95Å |
| 216 | K | 90 | Very high | 92.6 | Very high | 124 Ų | 124 | 34.9 Ų | 34.9 | 54% | 0.539 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -36.6 | -177.4 | -62.9 | -167.6 | -174.6 | 178.3 | 0 | 112.6 | Y214 | Y214-K216 HydrophobicContact CD1-CB 4.14Å; Y214-K216 HydrophobicContact CE1-CB 3.72Å; Y214-K216 HydrophobicContact CE1-CD 4.13Å; Y214-K216 HydrophobicContact CE1-CG 4.09Å; Y214-K216 PolarHBondContact O-N 3.33Å; Y214-K216 VanDerWaalsContact O-N 3.11Å; Y214-K216 WeakPolarHBondContact OH-CD 3.32Å |
| 217 | T | 90.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 34 Ų | 34 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -11.9 | -173.3 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | Y214 Q219 D537 | Y214-T217 HydrophobicContact CD1-CG2 4.02Å; Y214-T217 WeakPolarHBondContact CD1-OG1 3.46Å; Y214-T217 HydrophobicContact CE1-CG2 4.35Å; Y214-T217 PolarHBondContact O-N 3.37Å; T217-Q219 PolarHBondContact O-N 2.91Å; T217-Q219 VanDerWaalsContact OG1-CB 3.25Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.39Å; T217-Q219 PolarHBondContact OG1-N 2.89Å; T217-D537 WeakPolarHBondContact CG2-OD1 3.47Å |
| 218 | N | 92.3 | Very high | 93.8 | Very high | 104 Ų | 104 | 33.5 Ų | 33.5 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 18.8 | -166.5 | -54.2 | -57.8 | 0 | 0 | 0 | 113.8 | E213 Y214 | E213-N218 HydrophobicContact CG-CB 4.45Å; Y214-N218 WeakPolarHBondContact O-CA 3.43Å; Y214-N218 PolarHBondContact O-N 3.46Å |
| 219 | Q | 93.1 | Very high | 93.7 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 51% | 0.505 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.7 | 178.7 | -172 | 65.1 | 30.9 | 0 | 0 | 110.7 | E213 Y214 T217 Y221 | E213-Q219 WeakPolarHBondContact CA-O 3.33Å; Y214-Q219 PolarHBondContact N-O 2.86Å; T217-Q219 PolarHBondContact O-N 2.91Å; T217-Q219 VanDerWaalsContact OG1-CB 3.25Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.39Å; T217-Q219 PolarHBondContact OG1-N 2.89Å; Q219-Y221 HydrophobicContact CB-CE2 3.76Å; Q219-Y221 HydrophobicContact CG-CE1 4.45Å; Q219-Y221 HydrophobicContact CG-CE2 3.79Å; Q219-Y221 WeakPolarHBondContact O-CD2 3.44Å |
| 220 | L | 95.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.089 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.5 | 175.6 | -65 | 174 | 0 | 0 | 0 | 112 | L198 Q211 V212 E213 F275 E489 R490 | L198-L220 HydrophobicContact CD1-CD2 3.48Å; L198-L220 VanDerWaalsContact CD1-CD2 3.48Å; Q211-L220 HydrophobicContact CG-CD2 4.36Å; V212-L220 CarbonylContact O-C 3.31Å; V212-L220 WeakPolarHBondContact O-CA 3.45Å; E213-L220 HydrophobicContact CB-CD2 4.05Å; L220-F275 HydrophobicContact CB-CB 4.5Å; L220-F275 HydrophobicContact CB-CD1 4.13Å; L220-F275 HydrophobicContact CD1-CD1 4.47Å; L220-E489 HydrophobicContact CD1-CB 4.17Å; L220-E489 WeakPolarHBondContact CD1-O 3.44Å; L220-R490 HydrophobicContact CD1-CG 3.95Å; L220-R490 HydrophobicContact CD2-CG 4.37Å |
| 221 | Y | 96.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 9% | 0.09 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 161.7 | 174.2 | -63.3 | -82.2 | 0 | 0 | 0 | 110.6 | F195 V212 Q219 H260 V272 I273 | F195-Y221 HydrophobicContact CE1-CD2 4.41Å; V212-Y221 WeakPolarHBondContact CG2-O 3.44Å; V212-Y221 PolarHBondContact N-O 3.31Å; V212-Y221 PolarHBondContact O-N 2.69Å; Q219-Y221 HydrophobicContact CB-CE2 3.76Å; Q219-Y221 HydrophobicContact CG-CE1 4.45Å; Q219-Y221 HydrophobicContact CG-CE2 3.79Å; Q219-Y221 WeakPolarHBondContact O-CD2 3.44Å; Y221-H260 HydrophobicContact CD1-CB 4.08Å; Y221-H260 HydrophobicContact CE1-CB 3.84Å; Y221-H260 AromaticContact CE1-CD2 3.62Å; Y221-H260 AromaticContact CE1-CG 3.76Å; Y221-H260 AromaticContact CZ-CD2 3.59Å; Y221-H260 AromaticContact CZ-NE2 3.98Å; Y221-H260 PolarHBondContact OH-CD2 2.85Å; Y221-V272 HydrophobicContact CD1-CG1 4.01Å; Y221-V272 HydrophobicContact CD2-CG1 4.24Å; Y221-V272 HydrophobicContact CG-CG1 3.68Å; Y221-I273 WeakPolarHBondContact CB-O 3.47Å |
| 222 | A | 96.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 140.5 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | I201 V209 L210 V272 I273 F275 | I201-A222 HydrophobicContact CD1-CB 4.05Å; V209-A222 HydrophobicContact CG1-CB 4.22Å; L210-A222 CarbonylContact O-C 3.6Å; L210-A222 WeakPolarHBondContact O-CA 3.41Å; A222-V272 WeakPolarHBondContact O-CA 3.29Å; A222-I273 HydrophobicContact CB-CD1 4.25Å; A222-I273 HydrophobicContact CB-CG1 3.72Å; A222-I273 PolarHBondContact N-O 3.01Å; A222-I273 WeakPolarHBondContact O-CG1 3.35Å; A222-I273 PolarHBondContact O-N 2.84Å; A222-F275 HydrophobicContact CB-CD2 4.4Å |
| 223 | M | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 106.1 | 179.6 | -175.4 | -176.1 | -77.1 | 0 | 0 | 108.8 | L192 F195 L197 V209 L210 V212 V225 F263 F270 F271 V272 | L192-M223 HydrophobicContact CD1-CE 4.32Å; L192-M223 HydrophobicContact CD1-SD 4.12Å; F195-M223 HydrophobicContact CB-CE 3.99Å; F195-M223 HydrophobicContact CD1-CE 4.16Å; F195-M223 HydrophobicContact CD2-CE 3.66Å; F195-M223 HydrophobicContact CE2-CE 4.16Å; F195-M223 HydrophobicContact CG-CE 3.66Å; L197-M223 HydrophobicContact CD2-CE 4.45Å; L197-M223 HydrophobicContact CD2-SD 4.14Å; V209-M223 WeakPolarHBondContact CA-O 3.4Å; L210-M223 PolarHBondContact N-O 3.33Å; L210-M223 PolarHBondContact O-N 3.12Å; V212-M223 HydrophobicContact CB-CB 4.41Å; V212-M223 HydrophobicContact CB-CE 4.31Å; V212-M223 HydrophobicContact CG1-CB 3.59Å; V212-M223 HydrophobicContact CG1-CE 3.89Å; V212-M223 HydrophobicContact CG1-CG 4.4Å; V212-M223 HydrophobicContact CG1-SD 4.01Å; V212-M223 HydrophobicContact CG2-CB 3.9Å; V212-M223 HydrophobicContact CG2-CE 4.09Å; M223-V225 HydrophobicContact CG-CG2 3.88Å; M223-V225 HydrophobicContact SD-CG2 4.18Å; M223-F263 HydrophobicContact CE-CE1 4.14Å; M223-F263 HydrophobicContact CE-CZ 3.75Å; M223-F263 HydrophobicContact SD-CZ 4.38Å; M223-F270 HydrophobicContact CG-CD1 4.03Å; M223-F270 HydrophobicContact SD-CD1 3.57Å; M223-F270 VanDerWaalsContact SD-CD1 3.57Å; M223-F270 HydrophobicContact SD-CE1 4.11Å; M223-F271 CarbonylContact C-O 3.56Å; M223-F271 WeakPolarHBondContact CA-O 3.24Å; M223-V272 HydrophobicContact CE-CG2 4.35Å |
| 224 | K | 95.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.9 | 172.7 | -171.8 | 178.4 | -171 | 174.2 | 0 | 108.8 | A207 V209 E243 F270 F271 D337 | A207-K224 HydrophobicContact CB-CD 4.17Å; A207-K224 VanDerWaalsContact CB-CE 3.46Å; A207-K224 HydrophobicContact CB-CG 3.64Å; V209-K224 HydrophobicContact CG2-CG 4.33Å; K224-E243 IonicContact NZ-OE1 3.59Å; K224-E243 PolarHBondContact NZ-OE1 3.4Å; K224-E243 IonicContact NZ-OE2 3.12Å; K224-F270 WeakPolarHBondContact O-CA 3.23Å; K224-F271 HydrophobicContact CB-CB 4.22Å; K224-F271 PolarHBondContact N-O 3.38Å; K224-F271 PolarHBondContact O-N 2.82Å; K224-D337 IonicContact NZ-OD1 3.14Å; K224-D337 PolarHBondContact NZ-OD1 2.92Å |
| 225 | V | 94.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.3 | -172.6 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | A207 K208 L210 M223 R268 L269 F270 F506 | A207-V225 VanDerWaalsContact CA-O 3.29Å; A207-V225 WeakPolarHBondContact CA-O 3.5Å; K208-V225 PolarHBondContact N-O 3.16Å; K208-V225 PolarHBondContact O-N 3.15Å; L210-V225 HydrophobicContact CD1-CB 4.38Å; L210-V225 HydrophobicContact CD1-CG2 3.5Å; M223-V225 HydrophobicContact CG-CG2 3.88Å; M223-V225 HydrophobicContact SD-CG2 4.18Å; V225-R268 HydrophobicContact CG1-CB 4.19Å; V225-R268 HydrophobicContact CG1-CG 4.24Å; V225-L269 WeakPolarHBondContact CA-O 3.24Å; V225-F270 HydrophobicContact CB-CD1 4.37Å; V225-F270 HydrophobicContact CB-CE1 4.41Å; V225-F270 HydrophobicContact CG1-CD1 4.05Å; V225-F270 HydrophobicContact CG1-CE1 3.7Å; V225-F270 HydrophobicContact CG1-CZ 4.28Å; V225-F270 HydrophobicContact CG2-CD1 3.69Å; V225-F270 HydrophobicContact CG2-CE1 3.86Å; V225-F506 HydrophobicContact CB-CE1 4.41Å; V225-F506 HydrophobicContact CG1-CD1 4.4Å; V225-F506 HydrophobicContact CG1-CE1 4Å; V225-F506 HydrophobicContact CG2-CE1 3.98Å; V225-F506 HydrophobicContact CG2-CZ 4.43Å |
| 226 | I | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.7 | -179.2 | -51.9 | -176.5 | 0 | 0 | 0 | 108.7 | A207 V231 W239 R268 L269 F271 | A207-I226 HydrophobicContact CB-CG1 4.14Å; I226-V231 HydrophobicContact CG2-CG2 4.16Å; I226-W239 HydrophobicContact CD1-CH2 3.94Å; I226-W239 HydrophobicContact CD1-CZ3 3.8Å; I226-R268 CarbonylContact O-C 3.48Å; I226-R268 VanDerWaalsContact O-CA 3.24Å; I226-R268 WeakPolarHBondContact O-CA 3.37Å; I226-L269 HydrophobicContact CB-CB 4.37Å; I226-L269 PolarHBondContact N-O 2.82Å; I226-L269 PolarHBondContact O-N 3.21Å; I226-F271 HydrophobicContact CD1-CD2 4.32Å; I226-F271 HydrophobicContact CD1-CE2 3.73Å; I226-F271 HydrophobicContact CG1-CE2 4.49Å |
| 227 | K | 90 | Very high | 87.1 | Confident | 64 Ų | 64 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.2 | 174.7 | -66.1 | -171.1 | 179.8 | 176.9 | 0 | 109.6 | T229 M230 T507 | K227-T229 PolarHBondContact O-N 2.95Å; K227-M230 HydrophobicContact CB-CG 3.95Å; K227-M230 WeakPolarHBondContact O-CB 3.47Å; K227-M230 PolarHBondContact O-N 3.26Å; K227-T507 PolarHBondContact NZ-OG1 2.76Å; K227-T507 VanDerWaalsContact NZ-OG1 3.15Å |
| 228 | K | 90.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -60.3 | -27.8 | 175.1 | -75.3 | 180 | 169.6 | 178.5 | 0 | 112.4 | M230 V231 Q264 T265 S267 L269 I517 F522 | K228-M230 PolarHBondContact O-N 3.1Å; K228-V231 CarbonylContact O-C 3.37Å; K228-V231 PolarHBondContact O-N 2.93Å; K228-Q264 VanDerWaalsContact CE-OE1 3.27Å; K228-T265 WeakPolarHBondContact CE-O 3.21Å; K228-T265 PolarHBondContact NZ-O 3.26Å; K228-S267 PolarHBondContact N-O 2.94Å; K228-L269 HydrophobicContact CD-CD2 4.46Å; K228-L269 VanDerWaalsContact CE-CD2 3.46Å; K228-L269 HydrophobicContact CG-CD2 4.17Å; K228-L269 HydrophobicContact CG-CG 4.04Å; K228-I517 HydrophobicContact CB-CD1 3.88Å; K228-I517 HydrophobicContact CB-CG2 4.05Å; K228-I517 HydrophobicContact CD-CG2 4.26Å; K228-F522 HydrophobicContact CB-CE2 4.19Å; K228-F522 HydrophobicContact CB-CZ 4.08Å; K228-F522 HydrophobicContact CD-CD2 3.86Å; K228-F522 HydrophobicContact CD-CE2 3.86Å; K228-F522 HydrophobicContact CD-CG 4.34Å; K228-F522 HydrophobicContact CD-CZ 4.32Å; K228-F522 HydrophobicContact CG-CD2 4.3Å; K228-F522 HydrophobicContact CG-CE1 4.21Å; K228-F522 HydrophobicContact CG-CE2 3.94Å; K228-F522 HydrophobicContact CG-CZ 3.88Å |
| 229 | T | 85.9 | Confident | 86.1 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 22% | 0.221 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -66.5 | -17.7 | 173.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | K227 T232 Q513 I517 | K227-T229 PolarHBondContact O-N 2.95Å; T229-T232 VanDerWaalsContact O-CG2 3.23Å; T229-T232 WeakPolarHBondContact O-CG2 3.47Å; T229-Q513 HydrophobicContact CG2-CB 3.92Å; T229-I517 HydrophobicContact CG2-CD1 3.74Å; T229-I517 HydrophobicContact CG2-CG1 4.22Å |
| 230 | M | 82.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 28.2 Ų | 28.2 | 33% | 0.33 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -86 | -18.7 | 173 | -61.2 | -69.7 | -71.1 | 0 | 0 | 111.9 | Y206 K227 K228 T232 | Y206-M230 HydrophobicContact CD1-CE 3.88Å; Y206-M230 HydrophobicContact CE1-CE 4.3Å; K227-M230 HydrophobicContact CB-CG 3.95Å; K227-M230 WeakPolarHBondContact O-CB 3.47Å; K227-M230 PolarHBondContact O-N 3.26Å; K228-M230 PolarHBondContact O-N 3.1Å; M230-T232 PolarHBondContact O-N 3.02Å |
| 231 | V | 81.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | trans | -90.9 | 81.1 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | I226 K228 D236 I237 V240 F522 | I226-V231 HydrophobicContact CG2-CG2 4.16Å; K228-V231 CarbonylContact O-C 3.37Å; K228-V231 PolarHBondContact O-N 2.93Å; V231-D236 HydrophobicContact CB-CB 4.17Å; V231-D236 HydrophobicContact CG1-CB 3.6Å; V231-I237 HydrophobicContact CG1-CB 4.5Å; V231-I237 HydrophobicContact CG1-CG1 3.61Å; V231-V240 HydrophobicContact CG2-CG2 4.06Å; V231-F522 HydrophobicContact CB-CE1 4.06Å; V231-F522 HydrophobicContact CB-CZ 3.98Å; V231-F522 HydrophobicContact CG1-CE1 3.82Å; V231-F522 HydrophobicContact CG1-CZ 3.98Å; V231-F522 HydrophobicContact CG2-CE1 4.39Å | ||
| 232 | T | 74.8 | Confident | 84.8 | Confident | 68 Ų | 68 | 30.7 Ų | 30.7 | 42% | 0.417 | 16% | 0.156 | S | C | . | . | trans | -94.8 | -26.8 | -170.9 | 58.6 | 0 | 0 | 0 | 0 | 112 | K101 T229 M230 D236 | K101-T232 WeakPolarHBondContact CE-O 3.39Å; K101-T232 PolarHBondContact NZ-O 3.41Å; T229-T232 VanDerWaalsContact O-CG2 3.23Å; T229-T232 WeakPolarHBondContact O-CG2 3.47Å; M230-T232 PolarHBondContact O-N 3.02Å; T232-D236 PolarHBondContact N-OD2 3.18Å; T232-D236 PolarHBondContact OG1-OD2 3.38Å | ||
| 233 | D | 75.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -127.5 | 168.2 | -174.9 | 79.4 | 27.7 | 0 | 0 | 0 | 115.7 | K101 E235 D236 I237 | K101-D233 HydrophobicContact CD-CB 4.07Å; K101-D233 HydrophobicContact CG-CB 3.48Å; K101-D233 VanDerWaalsContact CG-CB 3.48Å; D233-E235 PolarHBondContact O-N 2.82Å; D233-E235 VanDerWaalsContact OD1-CA 3.3Å; D233-E235 WeakPolarHBondContact OD1-CA 3.26Å; D233-E235 VanDerWaalsContact OD1-CB 3.3Å; D233-E235 WeakPolarHBondContact OD1-CB 3.34Å; D233-E235 PolarHBondContact OD1-N 3.17Å; D233-D236 PolarHBondContact N-OD2 3.35Å; D233-D236 WeakPolarHBondContact O-CB 3.3Å; D233-D236 PolarHBondContact O-N 3.15Å; D233-D236 PolarHBondContact OD1-N 3.34Å; D233-I237 WeakPolarHBondContact O-CG1 3.37Å; D233-I237 PolarHBondContact O-N 3.05Å |
| 234 | E | 69 | Low | 84.2 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -21.7 | 180 | -79.5 | -179 | -162.1 | 0 | 0 | 112.4 | K114 R134 D238 | K114-E234 WeakPolarHBondContact CD-OE1 3.49Å; K114-E234 VanDerWaalsContact CE-OE1 3.24Å; K114-E234 WeakPolarHBondContact CE-OE1 3.41Å; K114-E234 IonicContact NZ-OE1 2.61Å; K114-E234 PolarHBondContact NZ-OE1 3.33Å; R134-E234 IonicContact CZ-OE2 2.8Å; R134-E234 IonicContact NE-OE2 3.62Å; R134-E234 PolarHBondContact NE-OE2 2.63Å; R134-E234 VanDerWaalsContact NH2-C 3.31Å; R134-E234 IonicContact NH2-OE2 3.64Å; E234-D238 WeakPolarHBondContact O-CB 3.27Å; E234-D238 PolarHBondContact O-N 2.97Å |
| 235 | E | 73.8 | Confident | 84 | Confident | 64 Ų | 64 | 34.7 Ų | 34.7 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -75.2 | -38.8 | 173.9 | -57.8 | -172.4 | -167.1 | 0 | 0 | 110.2 | R99 R134 D233 I237 D238 W239 | R99-E235 WeakPolarHBondContact CD-OE2 3.43Å; R99-E235 IonicContact CZ-OE2 3.31Å; R99-E235 IonicContact NE-OE2 2.87Å; R99-E235 IonicContact NH1-OE2 3.67Å; R99-E235 PolarHBondContact NH1-OE2 2.92Å; R134-E235 IonicContact NH1-OE1 2.68Å; R134-E235 PolarHBondContact NH1-OE1 2.88Å; R134-E235 VanDerWaalsContact NH1-OE1 3.14Å; D233-E235 PolarHBondContact O-N 2.82Å; D233-E235 VanDerWaalsContact OD1-CA 3.3Å; D233-E235 WeakPolarHBondContact OD1-CA 3.26Å; D233-E235 VanDerWaalsContact OD1-CB 3.3Å; D233-E235 WeakPolarHBondContact OD1-CB 3.34Å; D233-E235 PolarHBondContact OD1-N 3.17Å; E235-I237 VanDerWaalsContact C-N 3.29Å; E235-I237 PolarHBondContact O-N 3.2Å; E235-D238 PolarHBondContact O-N 2.82Å; E235-W239 WeakPolarHBondContact O-CB 3.48Å; E235-W239 PolarHBondContact O-N 3.36Å |
| 236 | D | 81.7 | Confident | 84 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 171 | -55.6 | -39 | 0 | 0 | 0 | 110.8 | V231 T232 D233 W239 V240 | V231-D236 HydrophobicContact CB-CB 4.17Å; V231-D236 HydrophobicContact CG1-CB 3.6Å; T232-D236 PolarHBondContact N-OD2 3.18Å; T232-D236 PolarHBondContact OG1-OD2 3.38Å; D233-D236 PolarHBondContact N-OD2 3.35Å; D233-D236 WeakPolarHBondContact O-CB 3.3Å; D233-D236 PolarHBondContact O-N 3.15Å; D233-D236 PolarHBondContact OD1-N 3.34Å; D236-W239 WeakPolarHBondContact O-CB 3.49Å; D236-W239 PolarHBondContact O-N 2.95Å; D236-V240 WeakPolarHBondContact O-CG2 3.37Å; D236-V240 PolarHBondContact O-N 3.21Å |
| 237 | I | 81.5 | Confident | 84.1 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -49.7 | 175.8 | -63.8 | 162 | 0 | 0 | 0 | 110.5 | V231 D233 E235 W239 V240 Q241 E521 | V231-I237 HydrophobicContact CG1-CB 4.5Å; V231-I237 HydrophobicContact CG1-CG1 3.61Å; D233-I237 WeakPolarHBondContact O-CG1 3.37Å; D233-I237 PolarHBondContact O-N 3.05Å; E235-I237 VanDerWaalsContact C-N 3.29Å; E235-I237 PolarHBondContact O-N 3.2Å; I237-W239 PolarHBondContact O-N 2.78Å; I237-V240 PolarHBondContact O-N 2.83Å; I237-Q241 HydrophobicContact CG2-CG 4.27Å; I237-Q241 WeakPolarHBondContact O-CB 3.5Å; I237-Q241 VanDerWaalsContact O-CG 3.27Å; I237-Q241 WeakPolarHBondContact O-CG 3.5Å; I237-Q241 PolarHBondContact O-N 2.87Å; I237-E521 HydrophobicContact CD1-CB 3.71Å; I237-E521 HydrophobicContact CD1-CG 3.87Å; I237-E521 WeakPolarHBondContact CD1-OE2 3.46Å |
| 238 | D | 78.2 | Confident | 84 | Confident | 54 Ų | 54 | 34.2 Ų | 34.2 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.6 | -36.1 | 176.3 | -82.4 | -16.3 | 0 | 0 | 0 | 110.7 | R115 E234 E235 T242 | R115-D238 IonicContact CZ-OD1 3.35Å; R115-D238 IonicContact CZ-OD2 3.52Å; R115-D238 IonicContact NE-OD2 3.58Å; R115-D238 IonicContact NH2-OD1 3.14Å; R115-D238 PolarHBondContact NH2-OD1 3.05Å; R115-D238 IonicContact NH2-OD2 3.51Å; R115-D238 PolarHBondContact NH2-OD2 3.35Å; E234-D238 WeakPolarHBondContact O-CB 3.27Å; E234-D238 PolarHBondContact O-N 2.97Å; E235-D238 PolarHBondContact O-N 2.82Å; D238-T242 VanDerWaalsContact O-CB 3.3Å; D238-T242 WeakPolarHBondContact O-CB 3.2Å; D238-T242 PolarHBondContact O-N 3.33Å; D238-T242 PolarHBondContact O-OG1 2.92Å |
| 239 | W | 84 | Confident | 84.1 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -51 | 175.4 | 175 | 80.8 | 0 | 0 | 0 | 112.1 | Y206 I226 E235 D236 I237 Q241 T242 E243 G339 | Y206-W239 HydrophobicContact CD2-CH2 4.37Å; Y206-W239 HydrophobicContact CD2-CZ2 4.45Å; I226-W239 HydrophobicContact CD1-CH2 3.94Å; I226-W239 HydrophobicContact CD1-CZ3 3.8Å; E235-W239 WeakPolarHBondContact O-CB 3.48Å; E235-W239 PolarHBondContact O-N 3.36Å; D236-W239 WeakPolarHBondContact O-CB 3.49Å; D236-W239 PolarHBondContact O-N 2.95Å; I237-W239 PolarHBondContact O-N 2.78Å; W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 2.98Å; W239-T242 PolarHBondContact O-N 3.47Å; W239-E243 WeakPolarHBondContact O-CB 3.27Å; W239-E243 PolarHBondContact O-N 3.25Å; W239-G339 VanDerWaalsContact NE1-CA 3.29Å; W239-G339 PolarHBondContact NE1-O 3.38Å |
| 240 | V | 86.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | V231 D236 I237 E243 K244 L269 F271 F525 | V231-V240 HydrophobicContact CG2-CG2 4.06Å; D236-V240 WeakPolarHBondContact O-CG2 3.37Å; D236-V240 PolarHBondContact O-N 3.21Å; I237-V240 PolarHBondContact O-N 2.83Å; V240-E243 PolarHBondContact O-N 3.13Å; V240-K244 WeakPolarHBondContact O-CB 3.33Å; V240-K244 PolarHBondContact O-N 2.85Å; V240-L269 HydrophobicContact CG1-CD1 3.63Å; V240-L269 HydrophobicContact CG2-CD1 4.1Å; V240-F271 HydrophobicContact CG1-CZ 4.13Å; V240-F525 HydrophobicContact CG1-CD2 4.19Å; V240-F525 HydrophobicContact CG1-CE2 3.7Å |
| 241 | Q | 85.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 31.7 Ų | 31.7 | 33% | 0.327 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.6 | -40.9 | -179.8 | -66.6 | -66.5 | -18.7 | 0 | 0 | 111.8 | I237 W239 K244 H245 | I237-Q241 HydrophobicContact CG2-CG 4.27Å; I237-Q241 WeakPolarHBondContact O-CB 3.5Å; I237-Q241 VanDerWaalsContact O-CG 3.27Å; I237-Q241 WeakPolarHBondContact O-CG 3.5Å; I237-Q241 PolarHBondContact O-N 2.87Å; W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 2.98Å; Q241-K244 PolarHBondContact O-N 2.84Å; Q241-H245 WeakPolarHBondContact O-CB 3.19Å; Q241-H245 PolarHBondContact O-N 3.48Å |
| 242 | T | 86 | Confident | 84.3 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | D238 W239 K244 H245 V246 E343 | D238-T242 VanDerWaalsContact O-CB 3.3Å; D238-T242 WeakPolarHBondContact O-CB 3.2Å; D238-T242 PolarHBondContact O-N 3.33Å; D238-T242 PolarHBondContact O-OG1 2.92Å; W239-T242 PolarHBondContact O-N 3.47Å; T242-K244 VanDerWaalsContact C-N 3.35Å; T242-K244 PolarHBondContact O-N 3.38Å; T242-H245 PolarHBondContact O-N 3.1Å; T242-V246 HydrophobicContact CG2-CG2 4.21Å; T242-V246 VanDerWaalsContact O-CG2 3.26Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 3.07Å; T242-E343 HydrophobicContact CG2-CB 4.49Å; T242-E343 HydrophobicContact CG2-CG 4.01Å |
| 243 | E | 90.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.5 | -180 | 163.3 | -145.3 | 0 | 0 | 111.5 | K224 W239 V240 H245 V246 F247 G339 | K224-E243 IonicContact NZ-OE1 3.59Å; K224-E243 PolarHBondContact NZ-OE1 3.4Å; K224-E243 IonicContact NZ-OE2 3.12Å; W239-E243 WeakPolarHBondContact O-CB 3.27Å; W239-E243 PolarHBondContact O-N 3.25Å; V240-E243 PolarHBondContact O-N 3.13Å; E243-H245 PolarHBondContact O-N 2.93Å; E243-V246 PolarHBondContact O-N 3.03Å; E243-F247 HydrophobicContact CG-CD2 3.8Å; E243-F247 HydrophobicContact CG-CE2 3.7Å; E243-F247 WeakPolarHBondContact O-CB 3.48Å; E243-F247 VanDerWaalsContact O-CD2 3.26Å; E243-F247 WeakPolarHBondContact O-CD2 3.45Å; E243-F247 PolarHBondContact O-N 3.29Å; E243-G339 PolarHBondContact OE1-N 3.46Å |
| 244 | K | 90.6 | Very high | 86.2 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -49.7 | 173.9 | -178.9 | 178.3 | 167.1 | 173.7 | 0 | 111.8 | V240 Q241 T242 V246 F247 E248 F271 G524 F525 E526 | V240-K244 WeakPolarHBondContact O-CB 3.33Å; V240-K244 PolarHBondContact O-N 2.85Å; Q241-K244 PolarHBondContact O-N 2.84Å; T242-K244 VanDerWaalsContact C-N 3.35Å; T242-K244 PolarHBondContact O-N 3.38Å; K244-V246 PolarHBondContact O-N 3.03Å; K244-F247 VanDerWaalsContact O-CB 3.32Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.46Å; K244-E248 WeakPolarHBondContact CE-OE1 3.38Å; K244-E248 WeakPolarHBondContact O-CG 3.23Å; K244-E248 PolarHBondContact O-N 2.88Å; K244-F271 HydrophobicContact CB-CE1 3.87Å; K244-F271 HydrophobicContact CB-CZ 4.5Å; K244-F271 HydrophobicContact CG-CE1 4.45Å; K244-G524 PolarHBondContact NZ-O 3.37Å; K244-F525 HydrophobicContact CD-CD2 4.48Å; K244-F525 VanDerWaalsContact NZ-C 3.35Å; K244-F525 PolarHBondContact NZ-O 2.84Å; K244-E526 PolarHBondContact NZ-O 3.42Å |
| 245 | H | 91.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 33.9 Ų | 33.9 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.1 | -37.4 | -176.9 | -179 | -112.9 | 0 | 0 | 0 | 112.8 | Q241 T242 E243 E248 T249 E343 | Q241-H245 WeakPolarHBondContact O-CB 3.19Å; Q241-H245 PolarHBondContact O-N 3.48Å; T242-H245 PolarHBondContact O-N 3.1Å; E243-H245 PolarHBondContact O-N 2.93Å; H245-E248 PolarHBondContact O-N 3.48Å; H245-T249 PolarHBondContact O-N 2.87Å; H245-T249 PolarHBondContact O-OG1 2.55Å; H245-E343 IonicContact CE1-OE2 4Å; H245-E343 IonicContact CG-OE2 3.68Å; H245-E343 IonicContact ND1-OE2 2.74Å; H245-E343 PolarHBondContact ND1-OE2 3.35Å |
| 246 | V | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | T242 E243 K244 E248 T249 A250 L310 I315 Y338 C341 | T242-V246 HydrophobicContact CG2-CG2 4.21Å; T242-V246 VanDerWaalsContact O-CG2 3.26Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 3.07Å; E243-V246 PolarHBondContact O-N 3.03Å; K244-V246 PolarHBondContact O-N 3.03Å; V246-E248 PolarHBondContact O-N 2.85Å; V246-T249 PolarHBondContact O-N 3.26Å; V246-A250 WeakPolarHBondContact O-CB 3.26Å; V246-A250 PolarHBondContact O-N 3.07Å; V246-L310 HydrophobicContact CG1-CD2 4.34Å; V246-I315 HydrophobicContact CG1-CD1 4.44Å; V246-I315 HydrophobicContact CG1-CG2 4.4Å; V246-I315 HydrophobicContact CG2-CD1 4.16Å; V246-I315 HydrophobicContact CG2-CG2 4.1Å; V246-Y338 HydrophobicContact CB-CD2 4.48Å; V246-Y338 HydrophobicContact CB-CG 4.27Å; V246-Y338 HydrophobicContact CG1-CD1 3.92Å; V246-Y338 HydrophobicContact CG1-CD2 3.92Å; V246-Y338 HydrophobicContact CG1-CG 3.55Å; V246-C341 HydrophobicContact CG2-CB 3.83Å |
| 247 | F | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 172.8 | -98.5 | -53.3 | 0 | 0 | 0 | 112.8 | E243 K244 T249 A250 S251 V257 L259 F271 I273 Y338 | E243-F247 HydrophobicContact CG-CD2 3.8Å; E243-F247 HydrophobicContact CG-CE2 3.7Å; E243-F247 WeakPolarHBondContact O-CB 3.48Å; E243-F247 VanDerWaalsContact O-CD2 3.26Å; E243-F247 WeakPolarHBondContact O-CD2 3.45Å; E243-F247 PolarHBondContact O-N 3.29Å; K244-F247 VanDerWaalsContact O-CB 3.32Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.46Å; F247-T249 VanDerWaalsContact C-N 3.35Å; F247-A250 PolarHBondContact O-N 2.84Å; F247-S251 PolarHBondContact O-N 2.75Å; F247-S251 PolarHBondContact O-OG 3.21Å; F247-V257 HydrophobicContact CE1-CG1 4.24Å; F247-L259 HydrophobicContact CB-CB 3.77Å; F247-L259 HydrophobicContact CB-CD1 4.43Å; F247-L259 HydrophobicContact CB-CD2 3.89Å; F247-L259 HydrophobicContact CB-CG 4.24Å; F247-L259 HydrophobicContact CD1-CB 4.09Å; F247-L259 HydrophobicContact CG-CB 4.15Å; F247-L259 HydrophobicContact CG-CD1 4.38Å; F247-F271 HydrophobicContact CD2-CD1 4.05Å; F247-F271 HydrophobicContact CD2-CE1 4.37Å; F247-F271 HydrophobicContact CE2-CD1 4.37Å; F247-I273 HydrophobicContact CD1-CG2 4.05Å; F247-I273 HydrophobicContact CE1-CB 4.33Å; F247-I273 HydrophobicContact CE1-CG2 3.57Å; F247-I273 HydrophobicContact CE2-CG2 4.4Å; F247-I273 HydrophobicContact CZ-CD1 4.3Å; F247-I273 HydrophobicContact CZ-CG2 3.78Å; F247-Y338 HydrophobicContact CB-CD2 4.39Å; F247-Y338 AromaticContact CD1-CD2 3.51Å; F247-Y338 HydrophobicContact CD1-CD2 3.51Å; F247-Y338 AromaticContact CD1-CE2 3.4Å; F247-Y338 HydrophobicContact CD1-CE2 3.4Å; F247-Y338 VanDerWaalsContact CD1-CE2 3.4Å; F247-Y338 AromaticContact CD2-CD2 3.96Å; F247-Y338 HydrophobicContact CD2-CD2 3.96Å; F247-Y338 AromaticContact CE1-CD2 3.54Å; F247-Y338 HydrophobicContact CE1-CD2 3.54Å; F247-Y338 AromaticContact CE1-CE2 3.4Å; F247-Y338 HydrophobicContact CE1-CE2 3.4Å; F247-Y338 AromaticContact CE2-CD2 4Å; F247-Y338 HydrophobicContact CE2-CD2 4Å; F247-Y338 AromaticContact CG-CD2 3.7Å; F247-Y338 HydrophobicContact CG-CD2 3.7Å; F247-Y338 HydrophobicContact CG-CE2 4.05Å; F247-Y338 AromaticContact CZ-CD2 3.78Å; F247-Y338 HydrophobicContact CZ-CD2 3.78Å; F247-Y338 HydrophobicContact CZ-CE2 4.07Å |
| 248 | E | 89.6 | Confident | 89.9 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 29% | 0.29 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.3 | -69.8 | 177.3 | -162.9 | 0 | 0 | 111.3 | K244 H245 V246 L259 Y527 | K244-E248 WeakPolarHBondContact CE-OE1 3.38Å; K244-E248 WeakPolarHBondContact O-CG 3.23Å; K244-E248 PolarHBondContact O-N 2.88Å; H245-E248 PolarHBondContact O-N 3.48Å; V246-E248 PolarHBondContact O-N 2.85Å; E248-L259 HydrophobicContact CG-CD2 4Å; E248-Y527 HydrophobicContact CG-CD2 4.33Å; E248-Y527 HydrophobicContact CG-CE1 4.1Å; E248-Y527 HydrophobicContact CG-CE2 3.87Å; E248-Y527 WeakPolarHBondContact OE1-CD2 3.48Å |
| 249 | T | 90.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 26 Ų | 26 | 19% | 0.19 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | H245 V246 F247 S251 F309 Q313 I315 | H245-T249 PolarHBondContact O-N 2.87Å; H245-T249 PolarHBondContact O-OG1 2.55Å; V246-T249 PolarHBondContact O-N 3.26Å; F247-T249 VanDerWaalsContact C-N 3.35Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.92Å; T249-F309 HydrophobicContact CG2-CE1 4.27Å; T249-F309 HydrophobicContact CG2-CZ 4.3Å; T249-Q313 HydrophobicContact CG2-CB 4.13Å; T249-Q313 HydrophobicContact CG2-CG 3.81Å; T249-I315 HydrophobicContact CG2-CD1 4.04Å |
| 250 | A | 89.2 | Confident | 90.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.1 | -22.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V246 F247 N252 H253 L256 Y338 | V246-A250 WeakPolarHBondContact O-CB 3.26Å; V246-A250 PolarHBondContact O-N 3.07Å; F247-A250 PolarHBondContact O-N 2.84Å; A250-N252 PolarHBondContact O-N 3.43Å; A250-H253 PolarHBondContact O-N 3.3Å; A250-L256 HydrophobicContact CB-CB 3.84Å; A250-L256 HydrophobicContact CB-CD1 3.75Å; A250-L256 HydrophobicContact CB-CG 4.4Å; A250-Y338 HydrophobicContact CB-CE2 3.94Å |
| 251 | S | 84.4 | Confident | 91.2 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 14% | 0.14 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18 | -163.1 | -69.9 | 0 | 0 | 0 | 0 | 116.1 | F247 T249 L259 N529 | F247-S251 PolarHBondContact O-N 2.75Å; F247-S251 PolarHBondContact O-OG 3.21Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.92Å; S251-L259 PolarHBondContact OG-N 3.11Å; S251-N529 WeakPolarHBondContact CB-ND2 3.5Å |
| 252 | N | 82.8 | Confident | 91.6 | Very high | 121 Ų | 121 | 20.1 Ų | 20.1 | 65% | 0.647 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | 3.1 | -179.8 | -64.3 | -39.7 | 0 | 0 | 0 | 113.9 | A250 | A250-N252 PolarHBondContact O-N 3.43Š|
| 253 | H | 93.8 | Very high | 92 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 6% | 0.06 | 10% | 0.102 | C | C | . | . | trans | -97.1 | 130.5 | -179.4 | -169 | -85 | 0 | 0 | 0 | 110.9 | A250 F255 L256 F309 | A250-H253 PolarHBondContact O-N 3.3Å; H253-F255 AromaticContact CE1-CD2 3.78Å; H253-F255 PolarHBondContact ND1-N 3.47Å; H253-F255 PolarHBondContact O-N 2.83Å; H253-F255 VanDerWaalsContact O-N 3.14Å; H253-L256 HydrophobicContact CB-CB 4.18Å; H253-L256 HydrophobicContact CB-CD1 3.85Å; H253-L256 HydrophobicContact CB-CG 4.03Å; H253-L256 PolarHBondContact O-N 3.5Å; H253-F309 HydrophobicContact CB-CD1 4.13Å; H253-F309 HydrophobicContact CB-CE1 4.15Å; H253-F309 HydrophobicContact CB-CG 4.46Å; H253-F309 AromaticContact CD2-CD1 3.91Å; H253-F309 AromaticContact CD2-CD2 3.75Å; H253-F309 AromaticContact CD2-CG 3.43Å; H253-F309 VanDerWaalsContact CD2-CG 3.43Å; H253-F309 WeakPolarHBondContact CD2-CG 3.22Å | ||
| 254 | P | 95.6 | Very high | 92.2 | Very high | 37 Ų | 37 | 21 Ų | 21 | 24% | 0.24 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.6 | -172.1 | 21.2 | -32.9 | 0 | 0 | 0 | 113.9 | K334 E474 K476 | P254-K334 VanDerWaalsContact O-CE 3.32Å; P254-K334 WeakPolarHBondContact O-CE 3.07Å; P254-K334 PolarHBondContact O-NZ 3.32Å; P254-K334 VanDerWaalsContact O-NZ 3.13Å; P254-E474 WeakPolarHBondContact CG-O 3.46Å; P254-K476 HydrophobicContact CB-CD 3.93Å; P254-K476 HydrophobicContact CB-CG 4.07Å |
| 255 | F | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 15.8 | -175.1 | -52.9 | -49.9 | 0 | 0 | 0 | 114.3 | H253 E302 L305 A306 H332 I333 K334 L335 V473 K476 | H253-F255 AromaticContact CE1-CD2 3.78Å; H253-F255 PolarHBondContact ND1-N 3.47Å; H253-F255 PolarHBondContact O-N 2.83Å; H253-F255 VanDerWaalsContact O-N 3.14Å; F255-E302 HydrophobicContact CD1-CB 4.05Å; F255-E302 HydrophobicContact CD1-CG 4.25Å; F255-E302 HydrophobicContact CD2-CB 4.12Å; F255-E302 HydrophobicContact CE1-CB 4.04Å; F255-E302 VanDerWaalsContact CE1-CD 3.4Å; F255-E302 HydrophobicContact CE1-CG 3.73Å; F255-E302 VanDerWaalsContact CE1-OE1 3.24Å; F255-E302 WeakPolarHBondContact CE1-OE1 3.38Å; F255-E302 HydrophobicContact CE2-CB 4.11Å; F255-E302 HydrophobicContact CE2-CG 4.09Å; F255-E302 HydrophobicContact CG-CB 4.09Å; F255-E302 HydrophobicContact CZ-CB 4.05Å; F255-E302 HydrophobicContact CZ-CG 3.63Å; F255-L305 HydrophobicContact CD2-CB 4.07Å; F255-L305 HydrophobicContact CD2-CD1 4.42Å; F255-L305 HydrophobicContact CE2-CB 4.26Å; F255-L305 HydrophobicContact CE2-CD1 3.78Å; F255-A306 HydrophobicContact CB-CB 3.94Å; F255-H332 HydrophobicContact CE1-CB 4.29Å; F255-I333 WeakPolarHBondContact CA-O 3.37Å; F255-I333 HydrophobicContact CB-CD1 3.86Å; F255-I333 WeakPolarHBondContact CD1-O 3.5Å; F255-I333 HydrophobicContact CG-CD1 4.44Å; F255-K334 CarbonylContact O-C 3.59Å; F255-K334 WeakPolarHBondContact O-CA 3.33Å; F255-L335 PolarHBondContact O-N 2.86Å; F255-V473 HydrophobicContact CE2-CG1 4.29Å; F255-V473 HydrophobicContact CZ-CG1 4.13Å; F255-V473 VanDerWaalsContact CZ-O 3.25Å; F255-V473 WeakPolarHBondContact CZ-O 3.32Å; F255-K476 HydrophobicContact CE1-CD 4.47Å; F255-K476 HydrophobicContact CE1-CG 3.97Å; F255-K476 HydrophobicContact CZ-CG 4.19Å |
| 256 | L | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -118.8 | 148.6 | 171.6 | -62.3 | 179.1 | 0 | 0 | 0 | 109.1 | A250 H253 G258 A306 F309 L310 K334 L335 Y338 | A250-L256 HydrophobicContact CB-CB 3.84Å; A250-L256 HydrophobicContact CB-CD1 3.75Å; A250-L256 HydrophobicContact CB-CG 4.4Å; H253-L256 HydrophobicContact CB-CB 4.18Å; H253-L256 HydrophobicContact CB-CD1 3.85Å; H253-L256 HydrophobicContact CB-CG 4.03Å; H253-L256 PolarHBondContact O-N 3.5Å; L256-G258 PolarHBondContact O-N 2.82Å; L256-A306 HydrophobicContact CD2-CB 3.89Å; L256-A306 HydrophobicContact CG-CB 4.42Å; L256-F309 HydrophobicContact CD1-CD1 3.6Å; L256-F309 HydrophobicContact CD1-CE1 3.88Å; L256-L310 HydrophobicContact CD1-CD2 3.82Å; L256-L310 HydrophobicContact CD1-CG 4.05Å; L256-L310 HydrophobicContact CD2-CD1 4.17Å; L256-L310 HydrophobicContact CD2-CG 4.46Å; L256-K334 PolarHBondContact O-NZ 3.22Å; L256-K334 VanDerWaalsContact O-NZ 3.14Å; L256-L335 HydrophobicContact CD2-CB 3.79Å; L256-L335 HydrophobicContact CD2-CD1 4.11Å; L256-L335 HydrophobicContact CD2-CG 4.18Å; L256-Y338 WeakPolarHBondContact CB-OH 3.24Å; L256-Y338 HydrophobicContact CD2-CE1 4.4Å |
| 257 | V | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 120.5 | 174 | 172.5 | 0 | 0 | 0 | 0 | 109.2 | F247 I273 E274 V276 L326 K334 L335 Y338 | F247-V257 HydrophobicContact CE1-CG1 4.24Å; V257-I273 HydrophobicContact CG1-CB 3.95Å; V257-I273 HydrophobicContact CG1-CD1 4.12Å; V257-I273 HydrophobicContact CG1-CG1 4.22Å; V257-E274 HydrophobicContact CG1-CB 4.25Å; V257-V276 HydrophobicContact CG2-CG2 4.1Å; V257-L326 HydrophobicContact CG2-CD1 4.07Å; V257-K334 HydrophobicContact CG2-CB 3.87Å; V257-L335 WeakPolarHBondContact CG2-O 3.45Å; V257-L335 PolarHBondContact N-O 3.33Å; V257-L335 VanDerWaalsContact N-O 3.13Å; V257-Y338 PolarHBondContact N-OH 2.97Å; V257-Y338 PolarHBondContact O-OH 3.35Å |
| 258 | G | 92.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 153.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L256 I273 E274 | L256-G258 PolarHBondContact O-N 2.82Å; G258-I273 WeakPolarHBondContact O-CA 3.18Å; G258-I273 WeakPolarHBondContact O-CB 3.42Å; G258-E274 PolarHBondContact O-N 3.17Å |
| 259 | L | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.3 | 174.3 | 178.4 | 70.5 | 0 | 0 | 0 | 110.1 | F247 E248 S251 F271 V272 I273 Y527 N529 L532 | F247-L259 HydrophobicContact CB-CB 3.77Å; F247-L259 HydrophobicContact CB-CD1 4.43Å; F247-L259 HydrophobicContact CB-CD2 3.89Å; F247-L259 HydrophobicContact CB-CG 4.24Å; F247-L259 HydrophobicContact CD1-CB 4.09Å; F247-L259 HydrophobicContact CG-CB 4.15Å; F247-L259 HydrophobicContact CG-CD1 4.38Å; E248-L259 HydrophobicContact CG-CD2 4Å; S251-L259 PolarHBondContact OG-N 3.11Å; L259-F271 HydrophobicContact CD1-CB 4.24Å; L259-F271 HydrophobicContact CD1-CD1 4.15Å; L259-V272 WeakPolarHBondContact CD1-O 3.32Å; L259-I273 HydrophobicContact CD1-CG2 3.9Å; L259-Y527 HydrophobicContact CD2-CD1 3.5Å; L259-Y527 VanDerWaalsContact CD2-CD1 3.5Å; L259-Y527 HydrophobicContact CD2-CE1 3.56Å; L259-Y527 HydrophobicContact CD2-CG 4.45Å; L259-Y527 HydrophobicContact CG-CD1 4.12Å; L259-Y527 HydrophobicContact CG-CE1 4.04Å; L259-N529 WeakPolarHBondContact O-CB 2.94Å; L259-N529 PolarHBondContact O-ND2 3.2Å; L259-L532 WeakPolarHBondContact O-CD1 3.33Å |
| 260 | H | 91.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -51.8 | 172.2 | 173.3 | -85.8 | 0 | 0 | 0 | 111.3 | Y221 V272 N529 | Y221-H260 HydrophobicContact CD1-CB 4.08Å; Y221-H260 HydrophobicContact CE1-CB 3.84Å; Y221-H260 AromaticContact CE1-CD2 3.62Å; Y221-H260 AromaticContact CE1-CG 3.76Å; Y221-H260 AromaticContact CZ-CD2 3.59Å; Y221-H260 AromaticContact CZ-NE2 3.98Å; Y221-H260 PolarHBondContact OH-CD2 2.85Å; H260-V272 WeakPolarHBondContact CA-O 3.29Å; H260-V272 HydrophobicContact CB-CB 4.35Å; H260-V272 HydrophobicContact CB-CG1 4.08Å; H260-V272 WeakPolarHBondContact CB-O 3.4Å; H260-V272 PolarHBondContact N-O 2.67Å; H260-N529 VanDerWaalsContact O-CB 3.26Å; H260-N529 WeakPolarHBondContact O-CB 3.4Å; H260-N529 PolarHBondContact O-N 3.05Å |
| 261 | S | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 153.7 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V272 Y527 | S261-V272 PolarHBondContact N-O 3.38Å; S261-V272 VanDerWaalsContact N-O 3.17Å; S261-V272 WeakPolarHBondContact O-CB 3.49Å; S261-V272 PolarHBondContact O-N 3.21Å; S261-V272 WeakPolarHBondContact OG-CB 3.46Å; S261-V272 WeakPolarHBondContact OG-CG2 3.26Å; S261-Y527 CarbonylContact C-O 3.5Å; S261-Y527 WeakPolarHBondContact CA-O 3.4Å; S261-Y527 VanDerWaalsContact CB-O 3.26Å; S261-Y527 WeakPolarHBondContact CB-O 3.49Å |
| 262 | C | 93.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.9 | 167.8 | -62.7 | 0 | 0 | 0 | 0 | 110 | F270 F271 F525 E526 Y527 | C262-F270 VanDerWaalsContact CA-O 3.29Å; C262-F270 WeakPolarHBondContact CA-O 3.5Å; C262-F271 WeakPolarHBondContact SG-CD1 3.43Å; C262-F525 HydrophobicContact CB-CD1 4.09Å; C262-F525 HydrophobicContact CB-CE1 3.66Å; C262-F525 HydrophobicContact CB-CZ 3.96Å; C262-F525 VanDerWaalsContact CB-O 3.26Å; C262-F525 WeakPolarHBondContact CB-O 3.36Å; C262-E526 WeakPolarHBondContact O-CA 3.47Å; C262-Y527 PolarHBondContact N-O 3.3Å; C262-Y527 PolarHBondContact O-N 3.45Å |
| 263 | F | 94.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.018 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 169.4 | 170.8 | 64.7 | -93.9 | 0 | 0 | 0 | 110.5 | V190 L192 F195 M223 F270 V272 F525 | V190-F263 HydrophobicContact CG1-CD1 3.98Å; V190-F263 HydrophobicContact CG1-CE1 4.23Å; V190-F263 WeakPolarHBondContact O-CB 3.46Å; L192-F263 HydrophobicContact CB-CE2 3.86Å; L192-F263 HydrophobicContact CB-CZ 4.35Å; L192-F263 HydrophobicContact CD1-CE2 4.5Å; L192-F263 HydrophobicContact CD1-CZ 4.44Å; L192-F263 VanDerWaalsContact N-CE2 3.33Å; F195-F263 HydrophobicContact CD2-CE1 4.2Å; F195-F263 HydrophobicContact CD2-CZ 4.27Å; F195-F263 HydrophobicContact CE2-CD1 4.49Å; F195-F263 AromaticContact CE2-CE1 3.62Å; F195-F263 HydrophobicContact CE2-CE1 3.62Å; F195-F263 HydrophobicContact CE2-CZ 4.14Å; F195-F263 HydrophobicContact CZ-CE1 4.4Å; M223-F263 HydrophobicContact CE-CE1 4.14Å; M223-F263 HydrophobicContact CE-CZ 3.75Å; M223-F263 HydrophobicContact SD-CZ 4.38Å; F263-F270 HydrophobicContact CD1-CB 4.1Å; F263-F270 HydrophobicContact CD2-CB 3.88Å; F263-F270 AromaticContact CD2-CD2 3.57Å; F263-F270 HydrophobicContact CD2-CD2 3.57Å; F263-F270 HydrophobicContact CD2-CE2 4.31Å; F263-F270 AromaticContact CD2-CG 3.87Å; F263-F270 HydrophobicContact CD2-CG 3.87Å; F263-F270 HydrophobicContact CE1-CB 3.81Å; F263-F270 HydrophobicContact CE1-CG 4.38Å; F263-F270 HydrophobicContact CE2-CB 3.54Å; F263-F270 AromaticContact CE2-CD1 3.87Å; F263-F270 HydrophobicContact CE2-CD1 3.87Å; F263-F270 AromaticContact CE2-CD2 3.28Å; F263-F270 HydrophobicContact CE2-CD2 3.28Å; F263-F270 HydrophobicContact CE2-CE1 4.39Å; F263-F270 AromaticContact CE2-CE2 3.87Å; F263-F270 HydrophobicContact CE2-CE2 3.87Å; F263-F270 AromaticContact CE2-CG 3.28Å; F263-F270 HydrophobicContact CE2-CG 3.28Å; F263-F270 HydrophobicContact CE2-CZ 4.39Å; F263-F270 HydrophobicContact CG-CB 4.14Å; F263-F270 HydrophobicContact CZ-CB 3.51Å; F263-F270 AromaticContact CZ-CD1 3.93Å; F263-F270 HydrophobicContact CZ-CD1 3.93Å; F263-F270 HydrophobicContact CZ-CD2 4.09Å; F263-F270 AromaticContact CZ-CG 3.59Å; F263-F270 HydrophobicContact CZ-CG 3.59Å; F263-F270 PolarHBondContact N-O 3Å; F263-F270 VanDerWaalsContact N-O 3.1Å; F263-F270 WeakPolarHBondContact O-CB 3.49Å; F263-F270 WeakPolarHBondContact O-CD2 2.97Å; F263-F270 PolarHBondContact O-N 3.47Å; F263-V272 HydrophobicContact CD1-CG2 4.15Å; F263-V272 HydrophobicContact CE1-CG2 3.56Å; F263-F525 WeakPolarHBondContact O-CE1 3.42Å |
| 264 | Q | 94.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 15.3 Ų | 15.3 | 17% | 0.173 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157 | -177.7 | 57.2 | -177.2 | -39.3 | 0 | 0 | 112.2 | K228 R268 L269 F522 F525 E526 | K228-Q264 VanDerWaalsContact CE-OE1 3.27Å; Q264-R268 CarbonylContact C-O 3.54Å; Q264-R268 VanDerWaalsContact CA-O 3.32Å; Q264-R268 WeakPolarHBondContact CA-O 3.49Å; Q264-R268 WeakPolarHBondContact CB-O 3.41Å; Q264-L269 HydrophobicContact CB-CD2 3.82Å; Q264-F522 PolarHBondContact NE2-O 2.75Å; Q264-F525 HydrophobicContact CB-CD1 4.1Å; Q264-E526 WeakPolarHBondContact CG-OE1 3.47Å; Q264-E526 PolarHBondContact NE2-OE1 2.99Å; Q264-E526 PolarHBondContact NE2-OE2 3.42Å |
| 265 | T | 93.6 | Very high | 94.3 | Very high | 46 Ų | 46 | 14.7 Ų | 14.7 | 28% | 0.282 | 8% | 0.08 | S | C | . | . | trans | -115.1 | -179.7 | 164.3 | 59.8 | 0 | 0 | 0 | 0 | 108.6 | K228 S267 R268 F270 | K228-T265 WeakPolarHBondContact CE-O 3.21Å; K228-T265 PolarHBondContact NZ-O 3.26Å; T265-S267 PolarHBondContact O-N 3.4Å; T265-S267 VanDerWaalsContact O-N 3.11Å; T265-S267 PolarHBondContact OG1-N 2.81Å; T265-R268 PolarHBondContact N-O 3.25Å; T265-R268 PolarHBondContact OG1-N 3.01Å; T265-R268 VanDerWaalsContact OG1-N 3.13Å; T265-R268 PolarHBondContact OG1-O 3.32Å; T265-F270 HydrophobicContact CG2-CE2 3.62Å; T265-F270 HydrophobicContact CG2-CZ 4.14Å | ||
| 266 | V | 92.6 | Very high | 94.1 | Very high | 96 Ų | 96 | 15 Ų | 15 | 58% | 0.582 | 8% | 0.081 | S | C | * | . | S | Bend | trans | -56.1 | -29.7 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 112 | Q519 | V266-Q519 PolarHBondContact O-NE2 2.84Š|
| 267 | S | 92.3 | Very high | 94 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.063 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -115.9 | -10.4 | -172.3 | 67.9 | 0 | 0 | 0 | 0 | 115.5 | K228 T265 D509 | K228-S267 PolarHBondContact N-O 2.94Å; T265-S267 PolarHBondContact O-N 3.4Å; T265-S267 VanDerWaalsContact O-N 3.11Å; T265-S267 PolarHBondContact OG1-N 2.81Å; S267-D509 VanDerWaalsContact CB-CG 3.48Å; S267-D509 WeakPolarHBondContact CB-OD2 3.48Å; S267-D509 PolarHBondContact OG-OD1 3.06Å; S267-D509 PolarHBondContact OG-OD2 3Å |
| 268 | R | 93.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 3% | 0.03 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.4 | -170.1 | -61.1 | 179.3 | -178.6 | 9.8 | -7.7 | 113.3 | V225 I226 Q264 T265 F270 T507 D509 | V225-R268 HydrophobicContact CG1-CB 4.19Å; V225-R268 HydrophobicContact CG1-CG 4.24Å; I226-R268 CarbonylContact O-C 3.48Å; I226-R268 VanDerWaalsContact O-CA 3.24Å; I226-R268 WeakPolarHBondContact O-CA 3.37Å; Q264-R268 CarbonylContact C-O 3.54Å; Q264-R268 VanDerWaalsContact CA-O 3.32Å; Q264-R268 WeakPolarHBondContact CA-O 3.49Å; Q264-R268 WeakPolarHBondContact CB-O 3.41Å; T265-R268 PolarHBondContact N-O 3.25Å; T265-R268 PolarHBondContact OG1-N 3.01Å; T265-R268 VanDerWaalsContact OG1-N 3.13Å; T265-R268 PolarHBondContact OG1-O 3.32Å; R268-F270 HydrophobicContact CB-CD2 4.24Å; R268-F270 HydrophobicContact CB-CE1 4.41Å; R268-F270 HydrophobicContact CB-CE2 3.45Å; R268-F270 VanDerWaalsContact CB-CE2 3.45Å; R268-F270 HydrophobicContact CB-CZ 3.56Å; R268-F270 HydrophobicContact CG-CZ 4.34Å; R268-T507 PolarHBondContact NH2-O 3.39Å; R268-D509 IonicContact CZ-OD1 3.11Å; R268-D509 IonicContact NH1-OD1 2.7Å; R268-D509 PolarHBondContact NH1-OD1 3.41Å; R268-D509 IonicContact NH1-OD2 3.85Å; R268-D509 IonicContact NH2-OD1 2.78Å; R268-D509 PolarHBondContact NH2-OD1 2.77Å; R268-D509 IonicContact NH2-OD2 3.8Å |
| 269 | L | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.6 | 165.8 | -55.7 | 178.5 | 0 | 0 | 0 | 108.9 | V225 I226 K228 V240 Q264 F522 F525 | V225-L269 WeakPolarHBondContact CA-O 3.24Å; I226-L269 HydrophobicContact CB-CB 4.37Å; I226-L269 PolarHBondContact N-O 2.82Å; I226-L269 PolarHBondContact O-N 3.21Å; K228-L269 HydrophobicContact CD-CD2 4.46Å; K228-L269 VanDerWaalsContact CE-CD2 3.46Å; K228-L269 HydrophobicContact CG-CD2 4.17Å; K228-L269 HydrophobicContact CG-CG 4.04Å; V240-L269 HydrophobicContact CG1-CD1 3.63Å; V240-L269 HydrophobicContact CG2-CD1 4.1Å; Q264-L269 HydrophobicContact CB-CD2 3.82Å; L269-F522 HydrophobicContact CD1-CD1 3.83Å; L269-F522 HydrophobicContact CD1-CE1 3.86Å; L269-F522 HydrophobicContact CD2-CB 4.31Å; L269-F522 HydrophobicContact CD2-CD1 3.76Å; L269-F522 HydrophobicContact CD2-CE1 4.39Å; L269-F522 HydrophobicContact CD2-CG 4.17Å; L269-F522 HydrophobicContact CG-CD1 4.25Å; L269-F522 HydrophobicContact CG-CE1 4.43Å; L269-F525 HydrophobicContact CB-CE1 3.91Å; L269-F525 HydrophobicContact CB-CE2 4.32Å; L269-F525 HydrophobicContact CB-CZ 3.78Å; L269-F525 HydrophobicContact CD1-CD2 4.43Å; L269-F525 HydrophobicContact CD1-CE2 4.14Å; L269-F525 HydrophobicContact CD1-CZ 4.43Å; L269-F525 HydrophobicContact CD2-CD1 3.89Å; L269-F525 HydrophobicContact CD2-CD2 4.17Å; L269-F525 HydrophobicContact CD2-CE1 4.09Å; L269-F525 HydrophobicContact CD2-CE2 4.36Å; L269-F525 HydrophobicContact CD2-CG 3.94Å; L269-F525 HydrophobicContact CD2-CZ 4.33Å; L269-F525 HydrophobicContact CG-CZ 4.42Å |
| 270 | F | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.8 | -177.4 | -58.6 | -96.9 | 0 | 0 | 0 | 109.8 | L192 M223 K224 V225 C262 F263 T265 R268 F506 | L192-F270 HydrophobicContact CD1-CD1 4.44Å; L192-F270 HydrophobicContact CD1-CE1 3.88Å; L192-F270 HydrophobicContact CD1-CZ 4.28Å; L192-F270 HydrophobicContact CD2-CZ 4.24Å; M223-F270 HydrophobicContact CG-CD1 4.03Å; M223-F270 HydrophobicContact SD-CD1 3.57Å; M223-F270 VanDerWaalsContact SD-CD1 3.57Å; M223-F270 HydrophobicContact SD-CE1 4.11Å; K224-F270 WeakPolarHBondContact O-CA 3.23Å; V225-F270 HydrophobicContact CB-CD1 4.37Å; V225-F270 HydrophobicContact CB-CE1 4.41Å; V225-F270 HydrophobicContact CG1-CD1 4.05Å; V225-F270 HydrophobicContact CG1-CE1 3.7Å; V225-F270 HydrophobicContact CG1-CZ 4.28Å; V225-F270 HydrophobicContact CG2-CD1 3.69Å; V225-F270 HydrophobicContact CG2-CE1 3.86Å; C262-F270 VanDerWaalsContact CA-O 3.29Å; C262-F270 WeakPolarHBondContact CA-O 3.5Å; F263-F270 HydrophobicContact CD1-CB 4.1Å; F263-F270 HydrophobicContact CD2-CB 3.88Å; F263-F270 AromaticContact CD2-CD2 3.57Å; F263-F270 HydrophobicContact CD2-CD2 3.57Å; F263-F270 HydrophobicContact CD2-CE2 4.31Å; F263-F270 AromaticContact CD2-CG 3.87Å; F263-F270 HydrophobicContact CD2-CG 3.87Å; F263-F270 HydrophobicContact CE1-CB 3.81Å; F263-F270 HydrophobicContact CE1-CG 4.38Å; F263-F270 HydrophobicContact CE2-CB 3.54Å; F263-F270 AromaticContact CE2-CD1 3.87Å; F263-F270 HydrophobicContact CE2-CD1 3.87Å; F263-F270 AromaticContact CE2-CD2 3.28Å; F263-F270 HydrophobicContact CE2-CD2 3.28Å; F263-F270 HydrophobicContact CE2-CE1 4.39Å; F263-F270 AromaticContact CE2-CE2 3.87Å; F263-F270 HydrophobicContact CE2-CE2 3.87Å; F263-F270 AromaticContact CE2-CG 3.28Å; F263-F270 HydrophobicContact CE2-CG 3.28Å; F263-F270 HydrophobicContact CE2-CZ 4.39Å; F263-F270 HydrophobicContact CG-CB 4.14Å; F263-F270 HydrophobicContact CZ-CB 3.51Å; F263-F270 AromaticContact CZ-CD1 3.93Å; F263-F270 HydrophobicContact CZ-CD1 3.93Å; F263-F270 HydrophobicContact CZ-CD2 4.09Å; F263-F270 AromaticContact CZ-CG 3.59Å; F263-F270 HydrophobicContact CZ-CG 3.59Å; F263-F270 PolarHBondContact N-O 3Å; F263-F270 VanDerWaalsContact N-O 3.1Å; F263-F270 WeakPolarHBondContact O-CB 3.49Å; F263-F270 WeakPolarHBondContact O-CD2 2.97Å; F263-F270 PolarHBondContact O-N 3.47Å; T265-F270 HydrophobicContact CG2-CE2 3.62Å; T265-F270 HydrophobicContact CG2-CZ 4.14Å; R268-F270 HydrophobicContact CB-CD2 4.24Å; R268-F270 HydrophobicContact CB-CE1 4.41Å; R268-F270 HydrophobicContact CB-CE2 3.45Å; R268-F270 VanDerWaalsContact CB-CE2 3.45Å; R268-F270 HydrophobicContact CB-CZ 3.56Å; R268-F270 HydrophobicContact CG-CZ 4.34Å; F270-F506 HydrophobicContact CE1-CE1 4.47Å; F270-F506 HydrophobicContact CE1-CE2 4.37Å; F270-F506 AromaticContact CE1-CZ 3.9Å; F270-F506 HydrophobicContact CE1-CZ 3.9Å |
| 271 | F | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.7 | 165.9 | -59.5 | -99.4 | 0 | 0 | 0 | 107.8 | M223 K224 I226 V240 K244 F247 L259 C262 I273 F525 | M223-F271 CarbonylContact C-O 3.56Å; M223-F271 WeakPolarHBondContact CA-O 3.24Å; K224-F271 HydrophobicContact CB-CB 4.22Å; K224-F271 PolarHBondContact N-O 3.38Å; K224-F271 PolarHBondContact O-N 2.82Å; I226-F271 HydrophobicContact CD1-CD2 4.32Å; I226-F271 HydrophobicContact CD1-CE2 3.73Å; I226-F271 HydrophobicContact CG1-CE2 4.49Å; V240-F271 HydrophobicContact CG1-CZ 4.13Å; K244-F271 HydrophobicContact CB-CE1 3.87Å; K244-F271 HydrophobicContact CB-CZ 4.5Å; K244-F271 HydrophobicContact CG-CE1 4.45Å; F247-F271 HydrophobicContact CD2-CD1 4.05Å; F247-F271 HydrophobicContact CD2-CE1 4.37Å; F247-F271 HydrophobicContact CE2-CD1 4.37Å; L259-F271 HydrophobicContact CD1-CB 4.24Å; L259-F271 HydrophobicContact CD1-CD1 4.15Å; C262-F271 WeakPolarHBondContact SG-CD1 3.43Å; F271-I273 HydrophobicContact CB-CG2 4.12Å; F271-F525 HydrophobicContact CD1-CZ 4.38Å; F271-F525 HydrophobicContact CD2-CZ 4.21Å; F271-F525 HydrophobicContact CE1-CE2 4.07Å; F271-F525 AromaticContact CE1-CZ 3.94Å; F271-F525 HydrophobicContact CE1-CZ 3.94Å; F271-F525 HydrophobicContact CE2-CE2 4.13Å; F271-F525 AromaticContact CE2-CZ 3.74Å; F271-F525 HydrophobicContact CE2-CZ 3.74Å; F271-F525 AromaticContact CZ-CE2 3.64Å; F271-F525 HydrophobicContact CZ-CE2 3.64Å; F271-F525 AromaticContact CZ-CZ 3.61Å; F271-F525 HydrophobicContact CZ-CZ 3.61Å |
| 272 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.4 | 171 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | F195 Y221 A222 M223 L259 H260 S261 F263 | F195-V272 HydrophobicContact CE1-CG1 3.95Å; F195-V272 HydrophobicContact CE1-CG2 4.28Å; F195-V272 HydrophobicContact CE2-CG2 4.15Å; F195-V272 HydrophobicContact CZ-CB 4.49Å; F195-V272 HydrophobicContact CZ-CG1 4.05Å; F195-V272 HydrophobicContact CZ-CG2 3.72Å; Y221-V272 HydrophobicContact CD1-CG1 4.01Å; Y221-V272 HydrophobicContact CD2-CG1 4.24Å; Y221-V272 HydrophobicContact CG-CG1 3.68Å; A222-V272 WeakPolarHBondContact O-CA 3.29Å; M223-V272 HydrophobicContact CE-CG2 4.35Å; L259-V272 WeakPolarHBondContact CD1-O 3.32Å; H260-V272 WeakPolarHBondContact CA-O 3.29Å; H260-V272 HydrophobicContact CB-CB 4.35Å; H260-V272 HydrophobicContact CB-CG1 4.08Å; H260-V272 WeakPolarHBondContact CB-O 3.4Å; H260-V272 PolarHBondContact N-O 2.67Å; S261-V272 PolarHBondContact N-O 3.38Å; S261-V272 VanDerWaalsContact N-O 3.17Å; S261-V272 WeakPolarHBondContact O-CB 3.49Å; S261-V272 PolarHBondContact O-N 3.21Å; S261-V272 WeakPolarHBondContact OG-CB 3.46Å; S261-V272 WeakPolarHBondContact OG-CG2 3.26Å; F263-V272 HydrophobicContact CD1-CG2 4.15Å; F263-V272 HydrophobicContact CE1-CG2 3.56Å |
| 273 | I | 95 | Very high | 94.1 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.046 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 163 | -173.3 | 65.3 | -177.1 | 0 | 0 | 0 | 109.6 | Y221 A222 F247 V257 G258 L259 F271 F275 | Y221-I273 WeakPolarHBondContact CB-O 3.47Å; A222-I273 HydrophobicContact CB-CD1 4.25Å; A222-I273 HydrophobicContact CB-CG1 3.72Å; A222-I273 PolarHBondContact N-O 3.01Å; A222-I273 WeakPolarHBondContact O-CG1 3.35Å; A222-I273 PolarHBondContact O-N 2.84Å; F247-I273 HydrophobicContact CD1-CG2 4.05Å; F247-I273 HydrophobicContact CE1-CB 4.33Å; F247-I273 HydrophobicContact CE1-CG2 3.57Å; F247-I273 HydrophobicContact CE2-CG2 4.4Å; F247-I273 HydrophobicContact CZ-CD1 4.3Å; F247-I273 HydrophobicContact CZ-CG2 3.78Å; V257-I273 HydrophobicContact CG1-CB 3.95Å; V257-I273 HydrophobicContact CG1-CD1 4.12Å; V257-I273 HydrophobicContact CG1-CG1 4.22Å; G258-I273 WeakPolarHBondContact O-CA 3.18Å; G258-I273 WeakPolarHBondContact O-CB 3.42Å; L259-I273 HydrophobicContact CD1-CG2 3.9Å; F271-I273 HydrophobicContact CB-CG2 4.12Å; I273-F275 PolarHBondContact O-N 2.89Å |
| 274 | E | 93.4 | Very high | 94 | Very high | 65 Ų | 65 | 22.4 Ų | 22.4 | 30% | 0.304 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 131.5 | 174 | -177.4 | -176.2 | 175.8 | 0 | 0 | 111.3 | V257 G258 V276 K334 | V257-E274 HydrophobicContact CG1-CB 4.25Å; G258-E274 PolarHBondContact O-N 3.17Å; E274-V276 HydrophobicContact CG-CG2 4.3Å; E274-K334 VanDerWaalsContact CD-NZ 3.31Å; E274-K334 WeakPolarHBondContact OE1-CE 3.21Å; E274-K334 IonicContact OE1-NZ 3.09Å; E274-K334 PolarHBondContact OE1-NZ 2.9Å; E274-K334 VanDerWaalsContact OE1-NZ 3.09Å; E274-K334 WeakPolarHBondContact OE2-CE 3.09Å; E274-K334 IonicContact OE2-NZ 2.74Å; E274-K334 PolarHBondContact OE2-NZ 2.77Å |
| 275 | F | 95.2 | Very high | 94 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | trans | -82.9 | 121 | 170.8 | 179.9 | -119.6 | 0 | 0 | 0 | 109.8 | I201 Q211 L220 A222 I273 P277 L492 F495 | I201-F275 HydrophobicContact CD1-CD2 4.12Å; I201-F275 HydrophobicContact CD1-CE2 3.93Å; Q211-F275 HydrophobicContact CB-CE2 4.43Å; Q211-F275 HydrophobicContact CG-CD2 4.32Å; Q211-F275 HydrophobicContact CG-CE2 4.1Å; Q211-F275 HydrophobicContact CG-CZ 4.25Å; Q211-F275 VanDerWaalsContact NE2-CE1 3.31Å; L220-F275 HydrophobicContact CB-CB 4.5Å; L220-F275 HydrophobicContact CB-CD1 4.13Å; L220-F275 HydrophobicContact CD1-CD1 4.47Å; A222-F275 HydrophobicContact CB-CD2 4.4Å; I273-F275 PolarHBondContact O-N 2.89Å; F275-P277 HydrophobicContact CD1-CB 4.36Å; F275-P277 HydrophobicContact CE1-CB 3.75Å; F275-P277 HydrophobicContact CZ-CB 4.2Å; F275-L492 HydrophobicContact CE2-CD2 4.37Å; F275-L492 HydrophobicContact CZ-CD2 3.91Å; F275-F495 HydrophobicContact CE2-CE1 4.45Å; F275-F495 HydrophobicContact CE2-CE2 4.15Å; F275-F495 AromaticContact CE2-CZ 3.64Å; F275-F495 HydrophobicContact CE2-CZ 3.64Å; F275-F495 AromaticContact CZ-CE2 3.97Å; F275-F495 HydrophobicContact CZ-CE2 3.97Å; F275-F495 AromaticContact CZ-CZ 3.9Å; F275-F495 HydrophobicContact CZ-CZ 3.9Å | ||
| 276 | V | 94.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.036 | 13% | 0.126 | C | C | . | . | trans | -110 | 105.9 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | V257 E274 L326 I327 D328 K334 | V257-V276 HydrophobicContact CG2-CG2 4.1Å; E274-V276 HydrophobicContact CG-CG2 4.3Å; V276-L326 HydrophobicContact CB-CB 4.07Å; V276-L326 HydrophobicContact CB-CD1 3.85Å; V276-L326 HydrophobicContact CG1-CB 3.66Å; V276-L326 HydrophobicContact CG1-CD1 4.39Å; V276-L326 HydrophobicContact CG2-CD1 4.02Å; V276-I327 VanDerWaalsContact CG1-C 3.46Å; V276-I327 VanDerWaalsContact CG1-O 3.26Å; V276-I327 WeakPolarHBondContact CG1-O 3.46Å; V276-D328 HydrophobicContact CG1-CB 4.08Å; V276-K334 HydrophobicContact CG2-CB 4.47Å; V276-K334 HydrophobicContact CG2-CD 3.8Å | ||
| 277 | P | 93.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 14% | 0.143 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -21.1 | -162.2 | 30.4 | -36.5 | 0 | 0 | 0 | 115.2 | F275 G279 A329 F486 F495 | F275-P277 HydrophobicContact CD1-CB 4.36Å; F275-P277 HydrophobicContact CE1-CB 3.75Å; F275-P277 HydrophobicContact CZ-CB 4.2Å; P277-G279 PolarHBondContact O-N 2.87Å; P277-A329 HydrophobicContact CG-CB 3.91Å; P277-F486 HydrophobicContact CB-CD1 4.35Å; P277-F486 HydrophobicContact CB-CE1 3.7Å; P277-F486 HydrophobicContact CB-CZ 4.02Å; P277-F486 HydrophobicContact CG-CE1 4.13Å; P277-F486 HydrophobicContact CG-CZ 3.92Å; P277-F486 WeakPolarHBondContact O-CE1 3.31Å; P277-F495 WeakPolarHBondContact O-CE2 3.3Å |
| 278 | G | 93.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 8.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I327 | G278-I327 CarbonylContact C-O 3.58Å; G278-I327 WeakPolarHBondContact CA-O 3.48Å; G278-I327 PolarHBondContact N-O 2.78Å |
| 279 | G | 92.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | 71.6 | -149.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P277 L326 I327 | P277-G279 PolarHBondContact O-N 2.87Å; G279-L326 CarbonylContact O-C 3.59Å; G279-L326 VanDerWaalsContact O-CA 3.32Å; G279-L326 WeakPolarHBondContact O-CA 3.42Å; G279-I327 PolarHBondContact O-N 2.88Å | ||
| 280 | D | 94.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 166.8 | -177.7 | 61 | 65.4 | 0 | 0 | 0 | 112.7 | M282 F283 H284 V325 L326 | D280-M282 PolarHBondContact O-N 2.81Å; D280-M282 WeakPolarHBondContact OD1-CA 3.3Å; D280-M282 WeakPolarHBondContact OD1-CB 3.09Å; D280-M282 PolarHBondContact OD1-N 2.57Å; D280-F283 PolarHBondContact O-N 3.31Å; D280-F283 PolarHBondContact OD1-N 2.81Å; D280-H284 PolarHBondContact O-N 2.77Å; D280-V325 CarbonylContact C-O 3.51Å; D280-V325 WeakPolarHBondContact CA-O 3.46Å; D280-L326 HydrophobicContact CB-CD2 3.88Å |
| 281 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -22.5 | -178.2 | -160.8 | 64.2 | 0 | 0 | 0 | 111.9 | H284 M285 Y299 L322 V325 I327 L383 M387 | L281-H284 HydrophobicContact CD1-CB 4.36Å; L281-M285 VanDerWaalsContact O-CB 3.3Å; L281-M285 WeakPolarHBondContact O-CB 3.2Å; L281-M285 WeakPolarHBondContact O-CG 3.47Å; L281-M285 PolarHBondContact O-N 3.14Å; L281-Y299 HydrophobicContact CD1-CD2 4.07Å; L281-Y299 HydrophobicContact CD1-CE2 4.13Å; L281-L322 HydrophobicContact CB-CD2 4.22Å; L281-L322 WeakPolarHBondContact CB-O 3.33Å; L281-L322 HydrophobicContact CD2-CD2 3.79Å; L281-L322 HydrophobicContact CG-CD2 3.88Å; L281-L322 PolarHBondContact N-O 2.99Å; L281-V325 HydrophobicContact CB-CB 4.01Å; L281-V325 HydrophobicContact CB-CG1 4.29Å; L281-V325 HydrophobicContact CD2-CB 4.26Å; L281-V325 HydrophobicContact CD2-CG1 4.11Å; L281-V325 PolarHBondContact N-O 3.19Å; L281-I327 HydrophobicContact CD1-CD1 4.05Å; L281-L383 HydrophobicContact CD2-CD2 3.92Å; L281-M387 HydrophobicContact CD2-CG 4.3Å; L281-M387 HydrophobicContact CD2-SD 3.81Å |
| 282 | M | 93.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -51.3 | 172.6 | 177.3 | 66.1 | 80.5 | 0 | 0 | 110.1 | D280 H284 M285 Q286 L322 D323 | D280-M282 PolarHBondContact O-N 2.81Å; D280-M282 WeakPolarHBondContact OD1-CA 3.3Å; D280-M282 WeakPolarHBondContact OD1-CB 3.09Å; D280-M282 PolarHBondContact OD1-N 2.57Å; M282-H284 VanDerWaalsContact C-N 3.29Å; M282-H284 PolarHBondContact O-N 3.15Å; M282-M285 WeakPolarHBondContact O-CB 3.09Å; M282-M285 PolarHBondContact O-N 3.33Å; M282-M285 VanDerWaalsContact O-N 3.14Å; M282-Q286 WeakPolarHBondContact O-CG 3.36Å; M282-Q286 PolarHBondContact O-N 2.93Å; M282-L322 HydrophobicContact CB-CB 3.78Å; M282-L322 HydrophobicContact CE-CB 3.98Å; M282-L322 HydrophobicContact CE-CD1 4.05Å; M282-L322 PolarHBondContact N-O 2.8Å; M282-L322 HydrophobicContact SD-CB 4.38Å; M282-L322 HydrophobicContact SD-CD1 4.07Å; M282-D323 HydrophobicContact CB-CB 4.48Å; M282-D323 WeakPolarHBondContact CE-OD2 3.28Å; M282-D323 WeakPolarHBondContact CG-OD1 3.24Å |
| 283 | F | 90.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 175.2 | -175.3 | -100.4 | 0 | 0 | 0 | 111.2 | D280 M285 Q286 L287 H494 | D280-F283 PolarHBondContact O-N 3.31Å; D280-F283 PolarHBondContact OD1-N 2.81Å; F283-M285 VanDerWaalsContact C-N 3.35Å; F283-M285 PolarHBondContact O-N 2.82Å; F283-Q286 PolarHBondContact O-N 3.47Å; F283-L287 HydrophobicContact CD1-CD1 4.02Å; F283-L287 HydrophobicContact CE1-CD1 3.52Å; F283-L287 HydrophobicContact CE1-CG 4.26Å; F283-L287 HydrophobicContact CZ-CD1 4.08Å; F283-L287 HydrophobicContact CZ-CG 4.49Å; F283-L287 PolarHBondContact O-N 2.98Å; F283-H494 HydrophobicContact CD1-CB 4.33Å; F283-H494 HydrophobicContact CE1-CB 4.2Å |
| 284 | H | 92.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 175.5 | -169.1 | 66.6 | 0 | 0 | 0 | 112.5 | D280 L281 M282 L287 K288 I327 H482 | D280-H284 PolarHBondContact O-N 2.77Å; L281-H284 HydrophobicContact CD1-CB 4.36Å; M282-H284 VanDerWaalsContact C-N 3.29Å; M282-H284 PolarHBondContact O-N 3.15Å; H284-L287 PolarHBondContact O-N 2.87Å; H284-K288 PolarHBondContact O-N 2.86Å; H284-I327 HydrophobicContact CB-CD1 4.01Å; H284-H482 AromaticContact CE1-CD2 3.15Å; H284-H482 PolarHBondContact CE1-CD2 3.32Å; H284-H482 AromaticContact CE1-CG 3.66Å; H284-H482 AromaticContact CE1-NE2 3.56Å; H284-H482 AromaticContact ND1-CD2 3.58Å; H284-H482 AromaticContact ND1-NE2 3.75Å |
| 285 | M | 94.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 176.3 | -78.8 | -60.8 | -62.6 | 0 | 0 | 112.8 | L281 M282 F283 L287 K288 R289 L291 L322 E386 M387 | L281-M285 VanDerWaalsContact O-CB 3.3Å; L281-M285 WeakPolarHBondContact O-CB 3.2Å; L281-M285 WeakPolarHBondContact O-CG 3.47Å; L281-M285 PolarHBondContact O-N 3.14Å; M282-M285 WeakPolarHBondContact O-CB 3.09Å; M282-M285 PolarHBondContact O-N 3.33Å; M282-M285 VanDerWaalsContact O-N 3.14Å; F283-M285 VanDerWaalsContact C-N 3.35Å; F283-M285 PolarHBondContact O-N 2.82Å; M285-L287 VanDerWaalsContact C-N 3.28Å; M285-L287 PolarHBondContact O-N 3.33Å; M285-K288 PolarHBondContact O-N 3.45Å; M285-R289 WeakPolarHBondContact O-CA 3.29Å; M285-R289 PolarHBondContact O-N 2.86Å; M285-L291 HydrophobicContact SD-CD1 3.94Å; M285-L291 HydrophobicContact SD-CD2 4.25Å; M285-L291 HydrophobicContact SD-CG 3.62Å; M285-L322 HydrophobicContact CB-CD1 4.49Å; M285-L322 HydrophobicContact CG-CD1 4.21Å; M285-L322 HydrophobicContact CG-CD2 4.04Å; M285-E386 WeakPolarHBondContact CE-O 3.44Å; M285-M387 HydrophobicContact SD-CG 4.37Å |
| 286 | Q | 92 | Very high | 94.7 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 175.4 | -71.7 | 174.6 | -0.5 | 0 | 0 | 111.8 | M282 F283 R289 | M282-Q286 WeakPolarHBondContact O-CG 3.36Å; M282-Q286 PolarHBondContact O-N 2.93Å; F283-Q286 PolarHBondContact O-N 3.47Å; Q286-R289 PolarHBondContact O-NE 3.32Å |
| 287 | L | 89.9 | Confident | 94.9 | Very high | 113 Ų | 113 | 58.1 Ų | 58.1 | 59% | 0.592 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.1 | -47.9 | 176.5 | -66.7 | 176.9 | 0 | 0 | 0 | 112.6 | F283 H284 M285 | F283-L287 HydrophobicContact CD1-CD1 4.02Å; F283-L287 HydrophobicContact CE1-CD1 3.52Å; F283-L287 HydrophobicContact CE1-CG 4.26Å; F283-L287 HydrophobicContact CZ-CD1 4.08Å; F283-L287 HydrophobicContact CZ-CG 4.49Å; F283-L287 PolarHBondContact O-N 2.98Å; H284-L287 PolarHBondContact O-N 2.87Å; M285-L287 VanDerWaalsContact C-N 3.28Å; M285-L287 PolarHBondContact O-N 3.33Å |
| 288 | K | 93.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 58 Ų | 58 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84.2 | -18.6 | -173.7 | -64.8 | -61.3 | -176 | -179.3 | 0 | 114.1 | H284 M285 R290 L291 | H284-K288 PolarHBondContact O-N 2.86Å; M285-K288 PolarHBondContact O-N 3.45Å; K288-R290 PolarHBondContact O-N 2.99Å; K288-L291 HydrophobicContact CB-CD2 3.83Å; K288-L291 HydrophobicContact CG-CD2 4.05Å |
| 289 | R | 94.1 | Very high | 95.4 | Very high | 187 Ų | 187 | 57.8 Ų | 57.8 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 64.1 | -43.8 | -172.3 | -52.8 | -61 | -174.5 | 174.2 | -3 | 114.8 | M285 Q286 G390 | M285-R289 WeakPolarHBondContact O-CA 3.29Å; M285-R289 PolarHBondContact O-N 2.86Å; Q286-R289 PolarHBondContact O-NE 3.32Å; R289-G390 WeakPolarHBondContact O-CA 3.14Å |
| 290 | R | 95.6 | Very high | 95.7 | Very high | 167 Ų | 167 | 57.7 Ų | 57.7 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -151.8 | 150.1 | 173.6 | 66.7 | 179.4 | -176.4 | -176.5 | 0.4 | 109.8 | K288 | K288-R290 PolarHBondContact O-N 2.99Š|
| 291 | L | 97.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | trans | -101.6 | 145.8 | 177.4 | -57.7 | -177.3 | 0 | 0 | 0 | 111.4 | M285 K288 H295 Y299 M387 | M285-L291 HydrophobicContact SD-CD1 3.94Å; M285-L291 HydrophobicContact SD-CD2 4.25Å; M285-L291 HydrophobicContact SD-CG 3.62Å; K288-L291 HydrophobicContact CB-CD2 3.83Å; K288-L291 HydrophobicContact CG-CD2 4.05Å; L291-H295 HydrophobicContact CB-CB 4.13Å; L291-Y299 HydrophobicContact CD1-CD2 3.95Å; L291-Y299 HydrophobicContact CD1-CE2 3.92Å; L291-M387 HydrophobicContact CD1-CB 4.13Å; L291-M387 HydrophobicContact CD1-CG 3.95Å; L291-M387 HydrophobicContact CD1-SD 3.99Å; L291-M387 PolarHBondContact N-O 3.29Å | ||
| 292 | P | 97.7 | Very high | 96 | Very high | 72 Ų | 72 | 56 Ų | 56 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | trans | -57.6 | 149.5 | 165 | -21.4 | 32.9 | 0 | 0 | 0 | 111.3 | E294 H295 A296 | P292-E294 PolarHBondContact O-N 2.83Å; P292-E294 VanDerWaalsContact O-N 3.1Å; P292-H295 WeakPolarHBondContact O-CB 3.48Å; P292-H295 PolarHBondContact O-N 3.11Å; P292-A296 PolarHBondContact O-N 3.03Å | ||
| 293 | E | 98.2 | Very high | 96.3 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.2 | -29.7 | 179.7 | -66.6 | -172.2 | -165.9 | 0 | 0 | 113 | R297 M388 L426 S427 A430 F464 | E293-R297 VanDerWaalsContact O-CB 3.24Å; E293-R297 WeakPolarHBondContact O-CB 3.31Å; E293-R297 PolarHBondContact O-N 2.78Å; E293-M388 HydrophobicContact CG-SD 4.05Å; E293-L426 WeakPolarHBondContact OE1-CA 3.37Å; E293-S427 WeakPolarHBondContact OE1-CB 3.13Å; E293-S427 PolarHBondContact OE1-N 3.49Å; E293-S427 PolarHBondContact OE1-OG 3.31Å; E293-S427 VanDerWaalsContact OE2-CB 3.29Å; E293-S427 WeakPolarHBondContact OE2-CB 3.24Å; E293-S427 PolarHBondContact OE2-OG 3.4Å; E293-A430 HydrophobicContact CG-CB 4.36Å; E293-F464 HydrophobicContact CB-CE2 4.26Å |
| 294 | E | 97.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.5 | -41.8 | 175.4 | -176.1 | 173.3 | -168.4 | 0 | 0 | 112.8 | P292 R297 F298 | P292-E294 PolarHBondContact O-N 2.83Å; P292-E294 VanDerWaalsContact O-N 3.1Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-F298 PolarHBondContact O-N 2.98Å |
| 295 | H | 98.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 21% | 0.213 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 175.9 | -67.9 | -136 | 0 | 0 | 0 | 110.3 | L291 P292 R297 F298 Y299 P481 | L291-H295 HydrophobicContact CB-CB 4.13Å; P292-H295 WeakPolarHBondContact O-CB 3.48Å; P292-H295 PolarHBondContact O-N 3.11Å; H295-R297 VanDerWaalsContact C-N 3.27Å; H295-R297 PolarHBondContact O-N 3.32Å; H295-F298 PolarHBondContact O-N 3.23Å; H295-Y299 HydrophobicContact CB-CE2 4.38Å; H295-Y299 VanDerWaalsContact O-CD2 3.27Å; H295-Y299 WeakPolarHBondContact O-CD2 3.19Å; H295-Y299 PolarHBondContact O-N 3.07Å; H295-P481 HydrophobicContact CB-CB 4.4Å; H295-P481 HydrophobicContact CB-CG 4.16Å |
| 296 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P292 S300 M387 M388 | P292-A296 PolarHBondContact O-N 3.03Å; A296-S300 WeakPolarHBondContact O-CB 3.3Å; A296-S300 PolarHBondContact O-N 3.4Å; A296-S300 PolarHBondContact O-OG 3.1Å; A296-M387 HydrophobicContact CB-CB 4.01Å; A296-M387 HydrophobicContact CB-CE 4.15Å; A296-M387 HydrophobicContact CB-SD 4.33Å; A296-M388 HydrophobicContact CB-CG 3.53Å; A296-M388 HydrophobicContact CB-SD 4.24Å |
| 297 | R | 98.7 | Very high | 97.5 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.2 | -174.8 | -170.5 | -55.7 | 109 | 14.8 | 112 | E293 E294 H295 S300 A301 F464 F465 V468 | E293-R297 VanDerWaalsContact O-CB 3.24Å; E293-R297 WeakPolarHBondContact O-CB 3.31Å; E293-R297 PolarHBondContact O-N 2.78Å; E294-R297 PolarHBondContact O-N 3.22Å; H295-R297 VanDerWaalsContact C-N 3.27Å; H295-R297 PolarHBondContact O-N 3.32Å; R297-S300 PolarHBondContact O-N 3.24Å; R297-A301 WeakPolarHBondContact O-CB 3.48Å; R297-A301 PolarHBondContact O-N 2.94Å; R297-F464 HydrophobicContact CB-CD1 4.5Å; R297-F464 HydrophobicContact CB-CE1 3.68Å; R297-F464 HydrophobicContact CB-CZ 3.9Å; R297-F464 WeakPolarHBondContact CD-O 3.16Å; R297-F464 HydrophobicContact CG-CD1 4.28Å; R297-F464 HydrophobicContact CG-CE1 3.93Å; R297-F464 PolarHBondContact NE-O 3.48Å; R297-F465 HydrophobicContact CG-CD1 3.8Å; R297-F465 HydrophobicContact CG-CE1 4.15Å; R297-V468 HydrophobicContact CG-CG2 3.82Å |
| 298 | F | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -56.8 | 178.3 | 177.8 | -89.3 | 0 | 0 | 0 | 111.1 | E294 H295 S300 A301 E302 H332 V478 P480 P481 | E294-F298 PolarHBondContact O-N 2.98Å; H295-F298 PolarHBondContact O-N 3.23Å; F298-S300 VanDerWaalsContact C-N 3.31Å; F298-S300 PolarHBondContact O-N 2.89Å; F298-A301 WeakPolarHBondContact O-CB 3.35Å; F298-A301 PolarHBondContact O-N 3.28Å; F298-A301 VanDerWaalsContact O-N 3.13Å; F298-E302 HydrophobicContact CE1-CG 4.41Å; F298-E302 WeakPolarHBondContact CE1-OE1 3.3Å; F298-E302 HydrophobicContact CZ-CG 4.48Å; F298-E302 WeakPolarHBondContact CZ-OE1 3.2Å; F298-E302 PolarHBondContact O-N 2.94Å; F298-H332 AromaticContact CZ-ND1 3.77Å; F298-V478 HydrophobicContact CD2-CG1 4.01Å; F298-V478 HydrophobicContact CE2-CB 4.1Å; F298-V478 HydrophobicContact CE2-CG1 3.77Å; F298-P480 HydrophobicContact CE1-CB 3.96Å; F298-P480 HydrophobicContact CE1-CG 4.28Å; F298-P480 HydrophobicContact CZ-CB 3.88Å; F298-P480 HydrophobicContact CZ-CG 3.82Å; F298-P481 HydrophobicContact CB-CG 4.13Å; F298-P481 HydrophobicContact CD1-CG 3.95Å; F298-P481 HydrophobicContact CG-CG 4.08Å |
| 299 | Y | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | -179.6 | -62.4 | -44.5 | 0 | 0 | 0 | 112.4 | L281 L291 H295 A301 E302 I303 I333 M387 P481 | L281-Y299 HydrophobicContact CD1-CD2 4.07Å; L281-Y299 HydrophobicContact CD1-CE2 4.13Å; L291-Y299 HydrophobicContact CD1-CD2 3.95Å; L291-Y299 HydrophobicContact CD1-CE2 3.92Å; H295-Y299 HydrophobicContact CB-CE2 4.38Å; H295-Y299 VanDerWaalsContact O-CD2 3.27Å; H295-Y299 WeakPolarHBondContact O-CD2 3.19Å; H295-Y299 PolarHBondContact O-N 3.07Å; Y299-A301 VanDerWaalsContact C-N 3.34Å; Y299-A301 PolarHBondContact O-N 3.47Å; Y299-E302 PolarHBondContact O-N 3.32Å; Y299-I303 WeakPolarHBondContact O-CD1 3.38Å; Y299-I303 VanDerWaalsContact O-CG1 3.23Å; Y299-I303 WeakPolarHBondContact O-CG1 3.46Å; Y299-I303 PolarHBondContact O-N 3.18Å; Y299-I333 HydrophobicContact CD1-CG2 3.48Å; Y299-I333 VanDerWaalsContact CD1-CG2 3.48Å; Y299-I333 HydrophobicContact CE1-CG2 4.17Å; Y299-I333 HydrophobicContact CG-CG2 4.19Å; Y299-M387 HydrophobicContact CD2-SD 4.17Å; Y299-P481 HydrophobicContact CE1-CG 4.49Å |
| 300 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | A296 R297 F298 E302 I303 I304 M384 M387 | A296-S300 WeakPolarHBondContact O-CB 3.3Å; A296-S300 PolarHBondContact O-N 3.4Å; A296-S300 PolarHBondContact O-OG 3.1Å; R297-S300 PolarHBondContact O-N 3.24Å; F298-S300 VanDerWaalsContact C-N 3.31Å; F298-S300 PolarHBondContact O-N 2.89Å; S300-E302 VanDerWaalsContact C-N 3.35Å; S300-E302 PolarHBondContact O-N 3.04Å; S300-I303 PolarHBondContact O-N 3.42Å; S300-I304 WeakPolarHBondContact O-CB 3.33Å; S300-I304 VanDerWaalsContact O-CD1 3.22Å; S300-I304 WeakPolarHBondContact O-CD1 3.31Å; S300-I304 WeakPolarHBondContact O-CG1 3.21Å; S300-I304 PolarHBondContact O-N 2.88Å; S300-M384 WeakPolarHBondContact OG-CG 3.19Å; S300-M387 VanDerWaalsContact OG-CE 3.31Å; S300-M387 WeakPolarHBondContact OG-CE 3.43Å |
| 301 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R297 F298 Y299 I304 L305 V468 W470 V473 | R297-A301 WeakPolarHBondContact O-CB 3.48Å; R297-A301 PolarHBondContact O-N 2.94Å; F298-A301 WeakPolarHBondContact O-CB 3.35Å; F298-A301 PolarHBondContact O-N 3.28Å; F298-A301 VanDerWaalsContact O-N 3.13Å; Y299-A301 VanDerWaalsContact C-N 3.34Å; Y299-A301 PolarHBondContact O-N 3.47Å; A301-I304 PolarHBondContact O-N 3.14Å; A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 2.87Å; A301-L305 VanDerWaalsContact O-N 3.1Å; A301-V468 HydrophobicContact CB-CG1 3.89Å; A301-V468 HydrophobicContact CB-CG2 4.31Å; A301-W470 HydrophobicContact CB-CH2 4.14Å; A301-W470 HydrophobicContact CB-CZ3 4.03Å; A301-V473 HydrophobicContact CB-CG1 4.48Å |
| 302 | E | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 176 | -62.3 | -171.3 | 149.6 | 0 | 0 | 112.3 | F255 F298 Y299 S300 I304 L305 A306 H332 I333 V473 | F255-E302 HydrophobicContact CD1-CB 4.05Å; F255-E302 HydrophobicContact CD1-CG 4.25Å; F255-E302 HydrophobicContact CD2-CB 4.12Å; F255-E302 HydrophobicContact CE1-CB 4.04Å; F255-E302 VanDerWaalsContact CE1-CD 3.4Å; F255-E302 HydrophobicContact CE1-CG 3.73Å; F255-E302 VanDerWaalsContact CE1-OE1 3.24Å; F255-E302 WeakPolarHBondContact CE1-OE1 3.38Å; F255-E302 HydrophobicContact CE2-CB 4.11Å; F255-E302 HydrophobicContact CE2-CG 4.09Å; F255-E302 HydrophobicContact CG-CB 4.09Å; F255-E302 HydrophobicContact CZ-CB 4.05Å; F255-E302 HydrophobicContact CZ-CG 3.63Å; F298-E302 HydrophobicContact CE1-CG 4.41Å; F298-E302 WeakPolarHBondContact CE1-OE1 3.3Å; F298-E302 HydrophobicContact CZ-CG 4.48Å; F298-E302 WeakPolarHBondContact CZ-OE1 3.2Å; F298-E302 PolarHBondContact O-N 2.94Å; Y299-E302 PolarHBondContact O-N 3.32Å; S300-E302 VanDerWaalsContact C-N 3.35Å; S300-E302 PolarHBondContact O-N 3.04Å; E302-I304 VanDerWaalsContact C-N 3.3Å; E302-I304 PolarHBondContact O-N 2.99Å; E302-L305 PolarHBondContact O-N 3.38Å; E302-A306 PolarHBondContact O-N 3.03Å; E302-H332 IonicContact OE1-CE1 3.7Å; E302-H332 IonicContact OE1-CG 3.56Å; E302-H332 IonicContact OE1-ND1 2.68Å; E302-H332 PolarHBondContact OE1-ND1 2.86Å; E302-I333 HydrophobicContact CB-CD1 4.01Å; E302-I333 HydrophobicContact CB-CG1 3.37Å; E302-I333 HydrophobicContact CG-CG1 4.38Å; E302-I333 WeakPolarHBondContact OE2-CG1 3.46Å; E302-I333 PolarHBondContact OE2-N 3.22Å; E302-V473 HydrophobicContact CG-CG1 3.67Å |
| 303 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.9 | -64.7 | 163.3 | 0 | 0 | 0 | 110.6 | Y299 S300 L305 A306 L307 L320 V325 I333 L335 L380 L383 | Y299-I303 WeakPolarHBondContact O-CD1 3.38Å; Y299-I303 VanDerWaalsContact O-CG1 3.23Å; Y299-I303 WeakPolarHBondContact O-CG1 3.46Å; Y299-I303 PolarHBondContact O-N 3.18Å; S300-I303 PolarHBondContact O-N 3.42Å; I303-L305 VanDerWaalsContact C-N 3.33Å; I303-L305 PolarHBondContact O-N 2.59Å; I303-A306 PolarHBondContact O-N 3.33Å; I303-L307 HydrophobicContact CG2-CD1 4.03Å; I303-L307 HydrophobicContact CG2-CG 4.16Å; I303-L307 WeakPolarHBondContact O-CB 3.42Å; I303-L307 WeakPolarHBondContact O-CG 3.5Å; I303-L307 PolarHBondContact O-N 2.9Å; I303-L320 HydrophobicContact CG2-CD1 4.1Å; I303-L320 HydrophobicContact CG2-CD2 3.96Å; I303-V325 HydrophobicContact CD1-CG1 4.11Å; I303-V325 HydrophobicContact CD1-CG2 4.09Å; I303-V325 HydrophobicContact CG1-CG1 4.32Å; I303-I333 HydrophobicContact CG1-CD1 3.8Å; I303-I333 HydrophobicContact CG1-CG1 4.12Å; I303-L335 HydrophobicContact CG1-CD2 4.28Å; I303-L335 HydrophobicContact CG2-CD2 4.42Å; I303-L380 HydrophobicContact CB-CD1 4.27Å; I303-L380 HydrophobicContact CD1-CD1 4.45Å; I303-L380 HydrophobicContact CG2-CD1 3.87Å; I303-L383 HydrophobicContact CD1-CD1 4.49Å; I303-L383 HydrophobicContact CD1-CD2 4.12Å |
| 304 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.7 | -73.7 | 158.4 | 0 | 0 | 0 | 110.5 | S300 A301 E302 L307 Y308 W377 L380 F456 I459 F465 W470 | S300-I304 WeakPolarHBondContact O-CB 3.33Å; S300-I304 VanDerWaalsContact O-CD1 3.22Å; S300-I304 WeakPolarHBondContact O-CD1 3.31Å; S300-I304 WeakPolarHBondContact O-CG1 3.21Å; S300-I304 PolarHBondContact O-N 2.88Å; A301-I304 PolarHBondContact O-N 3.14Å; E302-I304 VanDerWaalsContact C-N 3.3Å; E302-I304 PolarHBondContact O-N 2.99Å; I304-L307 PolarHBondContact O-N 3.38Å; I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.32Å; I304-Y308 PolarHBondContact O-N 2.8Å; I304-W377 HydrophobicContact CB-CZ3 4.29Å; I304-W377 HydrophobicContact CG1-CZ3 3.94Å; I304-W377 HydrophobicContact CG2-CH2 4.11Å; I304-W377 HydrophobicContact CG2-CZ3 4.17Å; I304-L380 HydrophobicContact CD1-CD2 4Å; I304-L380 HydrophobicContact CG1-CD2 3.39Å; I304-F456 HydrophobicContact CG2-CD2 4.16Å; I304-F456 HydrophobicContact CG2-CE2 3.74Å; I304-I459 HydrophobicContact CD1-CG2 3.61Å; I304-I459 HydrophobicContact CG1-CG2 4.2Å; I304-I459 HydrophobicContact CG2-CG2 3.94Å; I304-F465 HydrophobicContact CD1-CE1 3.86Å; I304-F465 HydrophobicContact CD1-CE2 3.76Å; I304-F465 HydrophobicContact CD1-CZ 3.37Å; I304-W470 HydrophobicContact CB-CH2 4.24Å; I304-W470 HydrophobicContact CB-CZ3 4.12Å; I304-W470 HydrophobicContact CD1-CH2 4Å; I304-W470 HydrophobicContact CG2-CH2 3.87Å; I304-W470 HydrophobicContact CG2-CZ3 3.78Å |
| 305 | L | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.3 | -72.5 | 166.4 | 0 | 0 | 0 | 111.4 | F255 A301 E302 I303 L307 Y308 F309 F456 W470 V473 E474 | F255-L305 HydrophobicContact CD2-CB 4.07Å; F255-L305 HydrophobicContact CD2-CD1 4.42Å; F255-L305 HydrophobicContact CE2-CB 4.26Å; F255-L305 HydrophobicContact CE2-CD1 3.78Å; A301-L305 WeakPolarHBondContact O-CG 3.37Å; A301-L305 PolarHBondContact O-N 2.87Å; A301-L305 VanDerWaalsContact O-N 3.1Å; E302-L305 PolarHBondContact O-N 3.38Å; I303-L305 VanDerWaalsContact C-N 3.33Å; I303-L305 PolarHBondContact O-N 2.59Å; L305-L307 PolarHBondContact O-N 3.24Å; L305-Y308 PolarHBondContact O-N 3.32Å; L305-F309 PolarHBondContact O-N 3.33Å; L305-F456 HydrophobicContact CD2-CZ 4Å; L305-W470 HydrophobicContact CD1-CE3 4.26Å; L305-W470 HydrophobicContact CD2-CE3 4.05Å; L305-W470 HydrophobicContact CG-CE3 3.99Å; L305-W470 HydrophobicContact CG-CZ3 4.18Å; L305-V473 HydrophobicContact CD1-CB 4.12Å; L305-V473 HydrophobicContact CD1-CG1 3.68Å; L305-E474 HydrophobicContact CD1-CB 3.93Å; L305-E474 HydrophobicContact CD2-CB 4.48Å |
| 306 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F255 L256 E302 I303 F309 L310 L335 | F255-A306 HydrophobicContact CB-CB 3.94Å; L256-A306 HydrophobicContact CD2-CB 3.89Å; L256-A306 HydrophobicContact CG-CB 4.42Å; E302-A306 PolarHBondContact O-N 3.03Å; I303-A306 PolarHBondContact O-N 3.33Å; A306-F309 PolarHBondContact O-N 3.44Å; A306-L310 WeakPolarHBondContact O-CG 3.49Å; A306-L310 PolarHBondContact O-N 2.84Å; A306-L310 VanDerWaalsContact O-N 3.13Å; A306-L335 HydrophobicContact CB-CD1 3.68Å; A306-L335 HydrophobicContact CB-CG 4.03Å |
| 307 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.8 | -71.8 | 179.8 | 0 | 0 | 0 | 111.7 | I303 I304 L305 F309 L310 H311 Y317 L320 L335 D376 W377 | I303-L307 HydrophobicContact CG2-CD1 4.03Å; I303-L307 HydrophobicContact CG2-CG 4.16Å; I303-L307 WeakPolarHBondContact O-CB 3.42Å; I303-L307 WeakPolarHBondContact O-CG 3.5Å; I303-L307 PolarHBondContact O-N 2.9Å; I304-L307 PolarHBondContact O-N 3.38Å; L305-L307 PolarHBondContact O-N 3.24Å; L307-F309 VanDerWaalsContact C-N 3.3Å; L307-F309 PolarHBondContact O-N 2.98Å; L307-L310 PolarHBondContact O-N 2.82Å; L307-H311 WeakPolarHBondContact O-CB 3.39Å; L307-H311 PolarHBondContact O-CD2 3.28Å; L307-H311 VanDerWaalsContact O-CD2 3.3Å; L307-H311 PolarHBondContact O-N 2.93Å; L307-Y317 HydrophobicContact CD2-CD1 4.06Å; L307-Y317 HydrophobicContact CD2-CG 4.37Å; L307-L320 HydrophobicContact CD1-CD2 4.11Å; L307-L335 HydrophobicContact CD2-CD1 4.16Å; L307-L335 HydrophobicContact CG-CD1 4.49Å; L307-D376 HydrophobicContact CD1-CB 4.14Å; L307-D376 HydrophobicContact CD2-CB 4.05Å; L307-W377 HydrophobicContact CB-CH2 4.01Å; L307-W377 HydrophobicContact CB-CZ3 4.21Å; L307-W377 HydrophobicContact CD1-CE3 4.14Å; L307-W377 HydrophobicContact CD1-CH2 4.48Å; L307-W377 HydrophobicContact CD1-CZ3 3.89Å |
| 308 | Y | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 15.9 Ų | 15.9 | 20% | 0.196 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.7 | 176.2 | -107.3 | 0 | 0 | 0 | 111.5 | I304 L305 H311 S312 L452 F456 | I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.32Å; I304-Y308 PolarHBondContact O-N 2.8Å; L305-Y308 PolarHBondContact O-N 3.32Å; Y308-H311 PolarHBondContact O-N 3.35Å; Y308-S312 WeakPolarHBondContact O-CB 3.35Å; Y308-S312 PolarHBondContact O-N 3.33Å; Y308-L452 HydrophobicContact CD2-CD2 4.4Å; Y308-L452 HydrophobicContact CD2-CG 4.3Å; Y308-L452 HydrophobicContact CE2-CD2 4.1Å; Y308-L452 HydrophobicContact CE2-CG 3.98Å; Y308-F456 AromaticContact CD1-CD1 3.9Å; Y308-F456 HydrophobicContact CD1-CD1 3.9Å; Y308-F456 HydrophobicContact CD1-CD2 4.36Å; Y308-F456 AromaticContact CD1-CE1 3.69Å; Y308-F456 HydrophobicContact CD1-CE1 3.69Å; Y308-F456 HydrophobicContact CD1-CE2 4.2Å; Y308-F456 HydrophobicContact CD1-CG 4.22Å; Y308-F456 AromaticContact CD1-CZ 3.86Å; Y308-F456 HydrophobicContact CD1-CZ 3.86Å; Y308-F456 HydrophobicContact CD2-CB 3.56Å; Y308-F456 AromaticContact CD2-CD1 3.79Å; Y308-F456 HydrophobicContact CD2-CD1 3.79Å; Y308-F456 AromaticContact CD2-CD2 3.74Å; Y308-F456 HydrophobicContact CD2-CD2 3.74Å; Y308-F456 HydrophobicContact CD2-CE1 4.38Å; Y308-F456 HydrophobicContact CD2-CE2 4.36Å; Y308-F456 AromaticContact CD2-CG 3.42Å; Y308-F456 HydrophobicContact CD2-CG 3.42Å; Y308-F456 VanDerWaalsContact CD2-CG 3.42Å; Y308-F456 AromaticContact CE1-CD1 3.71Å; Y308-F456 HydrophobicContact CE1-CD1 3.71Å; Y308-F456 AromaticContact CE1-CE1 3.68Å; Y308-F456 HydrophobicContact CE1-CE1 3.68Å; Y308-F456 HydrophobicContact CE1-CG 4.35Å; Y308-F456 HydrophobicContact CE1-CZ 4.32Å; Y308-F456 HydrophobicContact CE2-CB 3.5Å; Y308-F456 AromaticContact CE2-CD1 3.59Å; Y308-F456 HydrophobicContact CE2-CD1 3.59Å; Y308-F456 HydrophobicContact CE2-CD2 4.35Å; Y308-F456 HydrophobicContact CE2-CE1 4.36Å; Y308-F456 AromaticContact CE2-CG 3.57Å; Y308-F456 HydrophobicContact CE2-CG 3.57Å; Y308-F456 HydrophobicContact CG-CB 4.39Å; Y308-F456 AromaticContact CG-CD1 3.93Å; Y308-F456 HydrophobicContact CG-CD1 3.93Å; Y308-F456 AromaticContact CG-CD2 3.74Å; Y308-F456 HydrophobicContact CG-CD2 3.74Å; Y308-F456 HydrophobicContact CG-CE1 4.05Å; Y308-F456 AromaticContact CG-CE2 3.89Å; Y308-F456 HydrophobicContact CG-CE2 3.89Å; Y308-F456 AromaticContact CG-CG 3.76Å; Y308-F456 HydrophobicContact CG-CG 3.76Å; Y308-F456 HydrophobicContact CG-CZ 4.04Å; Y308-F456 AromaticContact CZ-CD1 3.54Å |
| 309 | F | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 15.4 Ų | 15.4 | 22% | 0.215 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 172.9 | 172.6 | -97.5 | 0 | 0 | 0 | 111.3 | T249 H253 L256 L305 A306 L307 H311 S312 Q313 | T249-F309 HydrophobicContact CG2-CE1 4.27Å; T249-F309 HydrophobicContact CG2-CZ 4.3Å; H253-F309 HydrophobicContact CB-CD1 4.13Å; H253-F309 HydrophobicContact CB-CE1 4.15Å; H253-F309 HydrophobicContact CB-CG 4.46Å; H253-F309 AromaticContact CD2-CD1 3.91Å; H253-F309 AromaticContact CD2-CD2 3.75Å; H253-F309 AromaticContact CD2-CG 3.43Å; H253-F309 VanDerWaalsContact CD2-CG 3.43Å; H253-F309 WeakPolarHBondContact CD2-CG 3.22Å; L256-F309 HydrophobicContact CD1-CD1 3.6Å; L256-F309 HydrophobicContact CD1-CE1 3.88Å; L305-F309 PolarHBondContact O-N 3.33Å; A306-F309 PolarHBondContact O-N 3.44Å; L307-F309 VanDerWaalsContact C-N 3.3Å; L307-F309 PolarHBondContact O-N 2.98Å; F309-H311 PolarHBondContact O-N 2.81Å; F309-S312 WeakPolarHBondContact O-CB 3.48Å; F309-S312 PolarHBondContact O-N 3.44Å; F309-S312 VanDerWaalsContact O-N 3.15Å; F309-S312 PolarHBondContact O-OG 3.18Å; F309-Q313 HydrophobicContact CE1-CG 4.32Å; F309-Q313 HydrophobicContact CE2-CG 4.31Å; F309-Q313 HydrophobicContact CZ-CG 4.1Å; F309-Q313 WeakPolarHBondContact O-CG 3.34Å; F309-Q313 PolarHBondContact O-N 3.1Å; F309-Q313 VanDerWaalsContact O-N 3.16Å |
| 310 | L | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.9 | -69.3 | 175.5 | 0 | 0 | 0 | 112 | V246 L256 A306 L307 S312 Q313 G314 I315 Y317 | V246-L310 HydrophobicContact CG1-CD2 4.34Å; L256-L310 HydrophobicContact CD1-CD2 3.82Å; L256-L310 HydrophobicContact CD1-CG 4.05Å; L256-L310 HydrophobicContact CD2-CD1 4.17Å; L256-L310 HydrophobicContact CD2-CG 4.46Å; A306-L310 WeakPolarHBondContact O-CG 3.49Å; A306-L310 PolarHBondContact O-N 2.84Å; A306-L310 VanDerWaalsContact O-N 3.13Å; L307-L310 PolarHBondContact O-N 2.82Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 3.13Å; L310-Q313 CarbonylContact O-C 3.54Å; L310-Q313 WeakPolarHBondContact O-CA 3.45Å; L310-Q313 PolarHBondContact O-N 3.24Å; L310-G314 PolarHBondContact O-N 2.88Å; L310-I315 CarbonylContact C-O 3.59Å; L310-I315 VanDerWaalsContact C-O 3.31Å; L310-I315 HydrophobicContact CB-CB 4.22Å; L310-I315 HydrophobicContact CB-CG2 4.45Å; L310-I315 HydrophobicContact CD2-CB 4.43Å; L310-I315 HydrophobicContact CD2-CD1 4.19Å; L310-I315 HydrophobicContact CD2-CG2 4.28Å; L310-I315 WeakPolarHBondContact O-CB 3.49Å; L310-I315 PolarHBondContact O-N 3.24Å; L310-Y317 HydrophobicContact CD1-CD2 4.32Å; L310-Y317 HydrophobicContact CD1-CG 4.4Å |
| 311 | H | 96.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 178 | -64.4 | 175.3 | 0 | 0 | 0 | 111.6 | L307 Y308 F309 Q313 G314 I315 F373 D376 W377 L452 | L307-H311 WeakPolarHBondContact O-CB 3.39Å; L307-H311 PolarHBondContact O-CD2 3.28Å; L307-H311 VanDerWaalsContact O-CD2 3.3Å; L307-H311 PolarHBondContact O-N 2.93Å; Y308-H311 PolarHBondContact O-N 3.35Å; F309-H311 PolarHBondContact O-N 2.81Å; H311-Q313 PolarHBondContact O-N 3.42Å; H311-G314 WeakPolarHBondContact O-CA 3.26Å; H311-G314 PolarHBondContact O-N 3.27Å; H311-I315 PolarHBondContact CD2-O 3.4Å; H311-I315 VanDerWaalsContact CD2-O 3.32Å; H311-I315 PolarHBondContact N-O 3.3Å; H311-F373 HydrophobicContact CB-CD1 3.83Å; H311-F373 HydrophobicContact CB-CD2 4.41Å; H311-F373 HydrophobicContact CB-CE1 4.08Å; H311-F373 HydrophobicContact CB-CG 4.04Å; H311-F373 HydrophobicContact CB-CZ 4.46Å; H311-F373 AromaticContact CD2-CD1 3.41Å; H311-F373 VanDerWaalsContact CD2-CD1 3.41Å; H311-F373 WeakPolarHBondContact CD2-CD1 3.47Å; H311-F373 AromaticContact CD2-CG 3.99Å; H311-F373 AromaticContact CG-CD1 3.54Å; H311-F373 AromaticContact CG-CG 3.74Å; H311-F373 AromaticContact ND1-CG 3.97Å; H311-F373 AromaticContact NE2-CD1 3.98Å; H311-F373 WeakPolarHBondContact O-CZ 3.4Å; H311-D376 IonicContact CD2-OD2 2.73Å; H311-D376 IonicContact CE1-OD2 3.58Å; H311-D376 IonicContact NE2-OD2 2.63Å; H311-D376 PolarHBondContact NE2-OD2 2.99Å; H311-W377 AromaticContact CE1-CE2 3.76Å; H311-W377 AromaticContact CE1-CZ2 3.86Å; H311-W377 AromaticContact CE1-NE1 3.75Å; H311-W377 AromaticContact ND1-CE2 3.84Å; H311-W377 AromaticContact ND1-CZ2 3.65Å; H311-W377 AromaticContact ND1-NE1 3.78Å; H311-L452 HydrophobicContact CB-CD1 3.86Å; H311-L452 HydrophobicContact CB-CD2 3.87Å |
| 312 | S | 95.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 17.3 Ų | 17.3 | 38% | 0.378 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -65.1 | -26.1 | 176.2 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | Y308 F309 L310 G314 | Y308-S312 WeakPolarHBondContact O-CB 3.35Å; Y308-S312 PolarHBondContact O-N 3.33Å; F309-S312 WeakPolarHBondContact O-CB 3.48Å; F309-S312 PolarHBondContact O-N 3.44Å; F309-S312 VanDerWaalsContact O-N 3.15Å; F309-S312 PolarHBondContact O-OG 3.18Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 3.13Å; S312-G314 VanDerWaalsContact C-N 3.29Å |
| 313 | Q | 95.3 | Very high | 96.9 | Very high | 105 Ų | 105 | 20.6 Ų | 20.6 | 49% | 0.491 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 4.3 | 172.7 | -59 | -53.6 | -56.2 | 0 | 0 | 112.7 | T249 F309 L310 H311 I315 | T249-Q313 HydrophobicContact CG2-CB 4.13Å; T249-Q313 HydrophobicContact CG2-CG 3.81Å; F309-Q313 HydrophobicContact CE1-CG 4.32Å; F309-Q313 HydrophobicContact CE2-CG 4.31Å; F309-Q313 HydrophobicContact CZ-CG 4.1Å; F309-Q313 WeakPolarHBondContact O-CG 3.34Å; F309-Q313 PolarHBondContact O-N 3.1Å; F309-Q313 VanDerWaalsContact O-N 3.16Å; L310-Q313 CarbonylContact O-C 3.54Å; L310-Q313 WeakPolarHBondContact O-CA 3.45Å; L310-Q313 PolarHBondContact O-N 3.24Å; H311-Q313 PolarHBondContact O-N 3.42Å; Q313-I315 HydrophobicContact CB-CD1 3.94Å; Q313-I315 HydrophobicContact CB-CG1 4.3Å |
| 314 | G | 95.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 32 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L310 H311 S312 E343 G344 I345 | L310-G314 PolarHBondContact O-N 2.88Å; H311-G314 WeakPolarHBondContact O-CA 3.26Å; H311-G314 PolarHBondContact O-N 3.27Å; S312-G314 VanDerWaalsContact C-N 3.29Å; G314-E343 CarbonylContact O-C 3.6Å; G314-E343 WeakPolarHBondContact O-CA 3.31Å; G314-G344 PolarHBondContact O-N 3.49Å; G314-I345 WeakPolarHBondContact CA-O 3.48Å; G314-I345 PolarHBondContact O-N 2.65Å |
| 315 | I | 96.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | trans | -113.3 | 123 | -179.7 | -59.2 | 163.9 | 0 | 0 | 0 | 109.2 | V246 T249 L310 H311 Q313 C341 K342 E343 | V246-I315 HydrophobicContact CG1-CD1 4.44Å; V246-I315 HydrophobicContact CG1-CG2 4.4Å; V246-I315 HydrophobicContact CG2-CD1 4.16Å; V246-I315 HydrophobicContact CG2-CG2 4.1Å; T249-I315 HydrophobicContact CG2-CD1 4.04Å; L310-I315 CarbonylContact C-O 3.59Å; L310-I315 VanDerWaalsContact C-O 3.31Å; L310-I315 HydrophobicContact CB-CB 4.22Å; L310-I315 HydrophobicContact CB-CG2 4.45Å; L310-I315 HydrophobicContact CD2-CB 4.43Å; L310-I315 HydrophobicContact CD2-CD1 4.19Å; L310-I315 HydrophobicContact CD2-CG2 4.28Å; L310-I315 WeakPolarHBondContact O-CB 3.49Å; L310-I315 PolarHBondContact O-N 3.24Å; H311-I315 PolarHBondContact CD2-O 3.4Å; H311-I315 VanDerWaalsContact CD2-O 3.32Å; H311-I315 PolarHBondContact N-O 3.3Å; Q313-I315 HydrophobicContact CB-CD1 3.94Å; Q313-I315 HydrophobicContact CB-CG1 4.3Å; I315-C341 HydrophobicContact CG2-CB 3.96Å; I315-K342 CarbonylContact C-O 3.52Å; I315-K342 VanDerWaalsContact CA-O 3.32Å; I315-K342 WeakPolarHBondContact CA-O 3.49Å; I315-E343 HydrophobicContact CG1-CB 4.28Å | ||
| 316 | I | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -93 | 131.2 | 167.1 | -45.8 | 167.8 | 0 | 0 | 0 | 107.7 | R318 C341 K342 I345 T351 F373 V375 D376 | I316-R318 HydrophobicContact CB-CG 3.93Å; I316-R318 HydrophobicContact CG2-CG 3.42Å; I316-R318 VanDerWaalsContact CG2-CG 3.42Å; I316-C341 CarbonylContact O-C 3.54Å; I316-C341 WeakPolarHBondContact O-CA 3.49Å; I316-K342 HydrophobicContact CB-CB 4.32Å; I316-K342 HydrophobicContact CD1-CB 4.42Å; I316-K342 PolarHBondContact N-O 3.49Å; I316-K342 PolarHBondContact O-N 3.34Å; I316-I345 HydrophobicContact CD1-CD1 4.27Å; I316-I345 HydrophobicContact CD1-CG1 3.76Å; I316-I345 HydrophobicContact CD1-CG2 4.31Å; I316-I345 HydrophobicContact CG1-CB 4.42Å; I316-I345 HydrophobicContact CG1-CG1 3.95Å; I316-I345 HydrophobicContact CG1-CG2 4.45Å; I316-T351 HydrophobicContact CD1-CG2 4.11Å; I316-F373 HydrophobicContact CG1-CD1 3.7Å; I316-F373 HydrophobicContact CG1-CE1 3.88Å; I316-V375 HydrophobicContact CG2-CG2 3.69Å; I316-D376 WeakPolarHBondContact CG2-OD2 3.35Å |
| 317 | Y | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -78.9 | -45.5 | -174.1 | -180 | -129.8 | 0 | 0 | 0 | 113.1 | L307 L310 D319 L320 N324 L335 T336 Y338 M340 D376 | L307-Y317 HydrophobicContact CD2-CD1 4.06Å; L307-Y317 HydrophobicContact CD2-CG 4.37Å; L310-Y317 HydrophobicContact CD1-CD2 4.32Å; L310-Y317 HydrophobicContact CD1-CG 4.4Å; Y317-D319 PolarHBondContact O-N 3.36Å; Y317-D319 VanDerWaalsContact O-N 3.07Å; Y317-L320 HydrophobicContact CD1-CB 3.82Å; Y317-L320 HydrophobicContact CD1-CD1 4.48Å; Y317-L320 HydrophobicContact CE1-CB 3.81Å; Y317-L320 HydrophobicContact CE1-CD1 3.98Å; Y317-N324 WeakPolarHBondContact OH-CB 3.46Å; Y317-L335 HydrophobicContact CD1-CD1 4.44Å; Y317-L335 HydrophobicContact CE1-CD1 4.25Å; Y317-T336 WeakPolarHBondContact CE2-O 3.49Å; Y317-T336 PolarHBondContact OH-O 3.3Å; Y317-Y338 HydrophobicContact CD2-CD1 4.21Å; Y317-Y338 AromaticContact CE2-CD1 3.83Å; Y317-Y338 HydrophobicContact CE2-CD1 3.83Å; Y317-Y338 HydrophobicContact CE2-CE1 4.16Å; Y317-M340 CarbonylContact O-C 3.55Å; Y317-D376 PolarHBondContact N-OD1 3.07Å; Y317-D376 PolarHBondContact N-OD2 2.89Å | ||
| 318 | R | 96.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 13% | 0.125 | 12% | 0.115 | C | C | . | . | trans | 63.3 | 0.1 | 170.8 | -52.9 | -170.5 | -62.5 | 172.7 | -1 | 118.3 | I316 M340 C341 C355 G356 Y371 V375 D376 | I316-R318 HydrophobicContact CB-CG 3.93Å; I316-R318 HydrophobicContact CG2-CG 3.42Å; I316-R318 VanDerWaalsContact CG2-CG 3.42Å; R318-M340 PolarHBondContact NE-O 3.18Å; R318-M340 PolarHBondContact NH2-O 3.38Å; R318-C341 PolarHBondContact NH2-O 2.99Å; R318-C355 VanDerWaalsContact CZ-SG 3.55Å; R318-C355 PolarHBondContact NH1-SG 3.46Å; R318-G356 WeakPolarHBondContact O-CA 3.47Å; R318-Y371 WeakPolarHBondContact CD-OH 2.93Å; R318-Y371 PolarHBondContact NH1-OH 3.43Å; R318-V375 HydrophobicContact CG-CG2 4.3Å; R318-D376 PolarHBondContact N-OD1 3.07Å | ||
| 319 | D | 95.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | trans | -138 | 42 | 173.8 | -158.3 | 40.5 | 0 | 0 | 0 | 112.8 | Y317 K321 N324 M340 T357 | Y317-D319 PolarHBondContact O-N 3.36Å; Y317-D319 VanDerWaalsContact O-N 3.07Å; D319-K321 PolarHBondContact O-N 3.42Å; D319-K321 IonicContact OD1-NZ 3.67Å; D319-K321 PolarHBondContact OD1-NZ 3.19Å; D319-K321 VanDerWaalsContact OD2-CE 3.3Å; D319-K321 WeakPolarHBondContact OD2-CE 3.37Å; D319-K321 IonicContact OD2-NZ 3.02Å; D319-K321 PolarHBondContact OD2-NZ 3.1Å; D319-N324 PolarHBondContact O-ND2 3.48Å; D319-N324 PolarHBondContact OD2-ND2 3.06Å; D319-M340 HydrophobicContact CB-CB 3.65Å; D319-M340 HydrophobicContact CB-CG 3.81Å; D319-T357 PolarHBondContact OD1-N 3.01Å; D319-T357 PolarHBondContact OD1-OG1 3.22Å | ||
| 320 | L | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -70 | 119.3 | 169.9 | -175 | 64.7 | 0 | 0 | 0 | 110.5 | I303 L307 Y317 V325 L335 Y360 A379 L380 L383 | I303-L320 HydrophobicContact CG2-CD1 4.1Å; I303-L320 HydrophobicContact CG2-CD2 3.96Å; L307-L320 HydrophobicContact CD1-CD2 4.11Å; Y317-L320 HydrophobicContact CD1-CB 3.82Å; Y317-L320 HydrophobicContact CD1-CD1 4.48Å; Y317-L320 HydrophobicContact CE1-CB 3.81Å; Y317-L320 HydrophobicContact CE1-CD1 3.98Å; L320-V325 HydrophobicContact CD1-CG2 3.81Å; L320-L335 HydrophobicContact CD1-CD2 3.88Å; L320-Y360 VanDerWaalsContact O-CD1 3.3Å; L320-Y360 WeakPolarHBondContact O-CD1 3.44Å; L320-Y360 VanDerWaalsContact O-CG 3.32Å; L320-A379 HydrophobicContact CB-CB 3.89Å; L320-A379 HydrophobicContact CD2-CB 4.34Å; L320-A379 HydrophobicContact CG-CB 4.48Å; L320-L380 HydrophobicContact CD2-CB 3.91Å; L320-L380 HydrophobicContact CD2-CD1 4.45Å; L320-L383 HydrophobicContact CD1-CD1 3.86Å; L320-L383 HydrophobicContact CD2-CD1 4.35Å; L320-L383 HydrophobicContact CG-CD1 3.81Å | ||
| 321 | K | 96.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | trans | -154.9 | 164.9 | 176 | 59.2 | -177.1 | 161.2 | -152 | 0 | 109.6 | D319 D323 N324 T357 Y360 | D319-K321 PolarHBondContact O-N 3.42Å; D319-K321 IonicContact OD1-NZ 3.67Å; D319-K321 PolarHBondContact OD1-NZ 3.19Å; D319-K321 VanDerWaalsContact OD2-CE 3.3Å; D319-K321 WeakPolarHBondContact OD2-CE 3.37Å; D319-K321 IonicContact OD2-NZ 3.02Å; D319-K321 PolarHBondContact OD2-NZ 3.1Å; K321-D323 VanDerWaalsContact C-N 3.25Å; K321-D323 HydrophobicContact CD-CB 4.31Å; K321-D323 HydrophobicContact CG-CB 4.31Å; K321-D323 PolarHBondContact O-N 3.41Å; K321-N324 WeakPolarHBondContact CE-ND2 3.34Å; K321-N324 VanDerWaalsContact CE-OD1 3.29Å; K321-N324 WeakPolarHBondContact CE-OD1 3.23Å; K321-N324 HydrophobicContact CG-CB 3.94Å; K321-N324 PolarHBondContact O-N 3.24Å; K321-T357 HydrophobicContact CD-CG2 4.19Å; K321-T357 WeakPolarHBondContact CD-OG1 3.44Å; K321-T357 PolarHBondContact NZ-OG1 2.78Å; K321-Y360 HydrophobicContact CB-CD2 3.73Å; K321-Y360 HydrophobicContact CB-CE1 4.28Å; K321-Y360 HydrophobicContact CB-CE2 3.34Å; K321-Y360 HydrophobicContact CB-CG 4.32Å | ||
| 322 | L | 96.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -54.5 | -39.7 | -179.2 | -70.1 | 170.9 | 0 | 0 | 0 | 113 | L281 M282 M285 N324 V325 Y360 L383 E386 M387 | L281-L322 HydrophobicContact CB-CD2 4.22Å; L281-L322 WeakPolarHBondContact CB-O 3.33Å; L281-L322 HydrophobicContact CD2-CD2 3.79Å; L281-L322 HydrophobicContact CG-CD2 3.88Å; L281-L322 PolarHBondContact N-O 2.99Å; M282-L322 HydrophobicContact CB-CB 3.78Å; M282-L322 HydrophobicContact CE-CB 3.98Å; M282-L322 HydrophobicContact CE-CD1 4.05Å; M282-L322 PolarHBondContact N-O 2.8Å; M282-L322 HydrophobicContact SD-CB 4.38Å; M282-L322 HydrophobicContact SD-CD1 4.07Å; M285-L322 HydrophobicContact CB-CD1 4.49Å; M285-L322 HydrophobicContact CG-CD1 4.21Å; M285-L322 HydrophobicContact CG-CD2 4.04Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 2.73Å; L322-V325 PolarHBondContact O-N 3.48Å; L322-Y360 PolarHBondContact N-OH 2.78Å; L322-L383 HydrophobicContact CD2-CD2 4.08Å; L322-L383 HydrophobicContact CD2-CG 3.91Å; L322-L383 HydrophobicContact CG-CG 4.41Å; L322-E386 HydrophobicContact CD1-CB 4.2Å; L322-M387 HydrophobicContact CD2-CG 4.45Å |
| 323 | D | 93.7 | Very high | 96.3 | Very high | 68 Ų | 68 | 21.3 Ų | 21.3 | 36% | 0.364 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -67.1 | -25.1 | -179.2 | -45.3 | -101.8 | 0 | 0 | 0 | 113.3 | M282 K321 | M282-D323 HydrophobicContact CB-CB 4.48Å; M282-D323 WeakPolarHBondContact CE-OD2 3.28Å; M282-D323 WeakPolarHBondContact CG-OD1 3.24Å; K321-D323 VanDerWaalsContact C-N 3.25Å; K321-D323 HydrophobicContact CD-CB 4.31Å; K321-D323 HydrophobicContact CG-CB 4.31Å; K321-D323 PolarHBondContact O-N 3.41Å |
| 324 | N | 96.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -95.5 | 3.3 | -177.8 | -76.8 | 1.4 | 0 | 0 | 0 | 113.2 | Y317 D319 K321 L322 T336 | Y317-N324 WeakPolarHBondContact OH-CB 3.46Å; D319-N324 PolarHBondContact O-ND2 3.48Å; D319-N324 PolarHBondContact OD2-ND2 3.06Å; K321-N324 WeakPolarHBondContact CE-ND2 3.34Å; K321-N324 VanDerWaalsContact CE-OD1 3.29Å; K321-N324 WeakPolarHBondContact CE-OD1 3.23Å; K321-N324 HydrophobicContact CG-CB 3.94Å; K321-N324 PolarHBondContact O-N 3.24Å; L322-N324 VanDerWaalsContact C-N 3.26Å; L322-N324 PolarHBondContact O-N 2.73Å; N324-T336 HydrophobicContact CB-CG2 4.48Å; N324-T336 PolarHBondContact O-N 3.37Å; N324-T336 VanDerWaalsContact O-N 3.09Å |
| 325 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 97.2 | 173 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | D280 L281 I303 L320 L322 I333 L335 L383 | D280-V325 CarbonylContact C-O 3.51Å; D280-V325 WeakPolarHBondContact CA-O 3.46Å; L281-V325 HydrophobicContact CB-CB 4.01Å; L281-V325 HydrophobicContact CB-CG1 4.29Å; L281-V325 HydrophobicContact CD2-CB 4.26Å; L281-V325 HydrophobicContact CD2-CG1 4.11Å; L281-V325 PolarHBondContact N-O 3.19Å; I303-V325 HydrophobicContact CD1-CG1 4.11Å; I303-V325 HydrophobicContact CD1-CG2 4.09Å; I303-V325 HydrophobicContact CG1-CG1 4.32Å; L320-V325 HydrophobicContact CD1-CG2 3.81Å; L322-V325 PolarHBondContact O-N 3.48Å; V325-I333 HydrophobicContact CG1-CB 3.73Å; V325-I333 HydrophobicContact CG1-CG1 4.5Å; V325-I333 HydrophobicContact CG1-CG2 3.78Å; V325-L335 HydrophobicContact CB-CD2 4.48Å; V325-L335 HydrophobicContact CG1-CD2 4.49Å; V325-L335 HydrophobicContact CG2-CD2 3.77Å; V325-L383 HydrophobicContact CG2-CD1 3.82Å |
| 326 | L | 97.2 | Very high | 96.5 | Very high | 32 Ų | 32 | 17.4 Ų | 17.4 | 17% | 0.168 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 157.8 | 178.3 | -52.6 | -174.1 | 0 | 0 | 0 | 110.9 | V257 V276 G279 D280 I333 K334 T336 | V257-L326 HydrophobicContact CG2-CD1 4.07Å; V276-L326 HydrophobicContact CB-CB 4.07Å; V276-L326 HydrophobicContact CB-CD1 3.85Å; V276-L326 HydrophobicContact CG1-CB 3.66Å; V276-L326 HydrophobicContact CG1-CD1 4.39Å; V276-L326 HydrophobicContact CG2-CD1 4.02Å; G279-L326 CarbonylContact O-C 3.59Å; G279-L326 VanDerWaalsContact O-CA 3.32Å; G279-L326 WeakPolarHBondContact O-CA 3.42Å; D280-L326 HydrophobicContact CB-CD2 3.88Å; L326-I333 CarbonylContact O-C 3.5Å; L326-I333 WeakPolarHBondContact O-CA 3.29Å; L326-K334 WeakPolarHBondContact CB-O 3.36Å; L326-K334 PolarHBondContact N-O 2.92Å; L326-K334 PolarHBondContact O-N 3.24Å; L326-T336 HydrophobicContact CD1-CG2 3.87Å; L326-T336 HydrophobicContact CD2-CG2 3.98Å; L326-T336 HydrophobicContact CG-CG2 3.73Å |
| 327 | I | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.6 | 175.7 | -55.3 | 177 | 0 | 0 | 0 | 108.8 | V276 G278 G279 L281 H284 H332 P484 | V276-I327 VanDerWaalsContact CG1-C 3.46Å; V276-I327 VanDerWaalsContact CG1-O 3.26Å; V276-I327 WeakPolarHBondContact CG1-O 3.46Å; G278-I327 CarbonylContact C-O 3.58Å; G278-I327 WeakPolarHBondContact CA-O 3.48Å; G278-I327 PolarHBondContact N-O 2.78Å; G279-I327 PolarHBondContact O-N 2.88Å; L281-I327 HydrophobicContact CD1-CD1 4.05Å; H284-I327 HydrophobicContact CB-CD1 4.01Å; I327-H332 CarbonylContact C-O 3.54Å; I327-H332 WeakPolarHBondContact CA-O 3.21Å; I327-P484 HydrophobicContact CG2-CG 3.75Å |
| 328 | D | 94.9 | Very high | 96 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | trans | -76.9 | -179.9 | 178.5 | 76.7 | 13 | 0 | 0 | 0 | 113.4 | V276 D330 G331 H332 K476 | V276-D328 HydrophobicContact CG1-CB 4.08Å; D328-D330 PolarHBondContact O-N 2.74Å; D328-D330 WeakPolarHBondContact OD1-CA 3.43Å; D328-D330 PolarHBondContact OD1-N 2.87Å; D328-G331 PolarHBondContact O-N 3.43Å; D328-G331 PolarHBondContact OD1-N 2.87Å; D328-H332 PolarHBondContact N-O 2.85Å; D328-H332 PolarHBondContact OD1-N 3.14Å; D328-K476 IonicContact OD2-NZ 2.66Å; D328-K476 PolarHBondContact OD2-NZ 2.72Å | ||
| 329 | A | 94.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 31% | 0.306 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -64.4 | -22 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | P277 R483 F486 | P277-A329 HydrophobicContact CG-CB 3.91Å; A329-R483 WeakPolarHBondContact O-CG 3.07Å; A329-R483 PolarHBondContact O-NE 2.84Å; A329-F486 HydrophobicContact CB-CE2 4.01Å; A329-F486 HydrophobicContact CB-CZ 4.46Å |
| 330 | D | 94.8 | Very high | 95.3 | Very high | 76 Ų | 76 | 20.4 Ų | 20.4 | 41% | 0.406 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -96.9 | -14.5 | -180 | -65.8 | -43.1 | 0 | 0 | 0 | 112.5 | D328 P480 R483 | D328-D330 PolarHBondContact O-N 2.74Å; D328-D330 WeakPolarHBondContact OD1-CA 3.43Å; D328-D330 PolarHBondContact OD1-N 2.87Å; D330-P480 WeakPolarHBondContact O-CG 3.01Å; D330-R483 IonicContact OD1-CZ 3.59Å; D330-R483 IonicContact OD1-NE 3.52Å; D330-R483 IonicContact OD1-NH2 2.85Å; D330-R483 PolarHBondContact OD1-NH2 3.19Å |
| 331 | G | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 107.1 | 7.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D328 H482 | D328-G331 PolarHBondContact O-N 3.43Å; D328-G331 PolarHBondContact OD1-N 2.87Å; G331-H482 VanDerWaalsContact CA-O 3.31Å; G331-H482 WeakPolarHBondContact CA-O 3.43Å |
| 332 | H | 98.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.046 | 12% | 0.122 | C | C | . | . | trans | -83.6 | 153.3 | 175.5 | -62.9 | -89.1 | 0 | 0 | 0 | 111 | F255 F298 E302 I327 D328 K476 V478 P480 | F255-H332 HydrophobicContact CE1-CB 4.29Å; F298-H332 AromaticContact CZ-ND1 3.77Å; E302-H332 IonicContact OE1-CE1 3.7Å; E302-H332 IonicContact OE1-CG 3.56Å; E302-H332 IonicContact OE1-ND1 2.68Å; E302-H332 PolarHBondContact OE1-ND1 2.86Å; I327-H332 CarbonylContact C-O 3.54Å; I327-H332 WeakPolarHBondContact CA-O 3.21Å; D328-H332 PolarHBondContact N-O 2.85Å; D328-H332 PolarHBondContact OD1-N 3.14Å; H332-K476 WeakPolarHBondContact CD2-CE 3.43Å; H332-V478 PolarHBondContact CE1-O 3.13Å; H332-P480 VanDerWaalsContact CD2-CG 3.5Å; H332-P480 WeakPolarHBondContact CD2-CG 3.24Å; H332-P480 WeakPolarHBondContact NE2-CG 3.23Å | ||
| 333 | I | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 153.8 | -179.3 | 69.5 | 93.2 | 0 | 0 | 0 | 112.6 | F255 Y299 E302 I303 V325 L326 L335 | F255-I333 WeakPolarHBondContact CA-O 3.37Å; F255-I333 HydrophobicContact CB-CD1 3.86Å; F255-I333 WeakPolarHBondContact CD1-O 3.5Å; F255-I333 HydrophobicContact CG-CD1 4.44Å; Y299-I333 HydrophobicContact CD1-CG2 3.48Å; Y299-I333 VanDerWaalsContact CD1-CG2 3.48Å; Y299-I333 HydrophobicContact CE1-CG2 4.17Å; Y299-I333 HydrophobicContact CG-CG2 4.19Å; E302-I333 HydrophobicContact CB-CD1 4.01Å; E302-I333 HydrophobicContact CB-CG1 3.37Å; E302-I333 HydrophobicContact CG-CG1 4.38Å; E302-I333 WeakPolarHBondContact OE2-CG1 3.46Å; E302-I333 PolarHBondContact OE2-N 3.22Å; I303-I333 HydrophobicContact CG1-CD1 3.8Å; I303-I333 HydrophobicContact CG1-CG1 4.12Å; V325-I333 HydrophobicContact CG1-CB 3.73Å; V325-I333 HydrophobicContact CG1-CG1 4.5Å; V325-I333 HydrophobicContact CG1-CG2 3.78Å; L326-I333 CarbonylContact O-C 3.5Å; L326-I333 WeakPolarHBondContact O-CA 3.29Å; I333-L335 HydrophobicContact CD1-CD2 4.29Å; I333-L335 HydrophobicContact CD1-CG 4.43Å |
| 334 | K | 98.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 126.2 | 164.1 | -74.2 | 176.1 | 169.8 | -93.9 | 0 | 110.6 | P254 F255 L256 V257 E274 V276 L326 | P254-K334 VanDerWaalsContact O-CE 3.32Å; P254-K334 WeakPolarHBondContact O-CE 3.07Å; P254-K334 PolarHBondContact O-NZ 3.32Å; P254-K334 VanDerWaalsContact O-NZ 3.13Å; F255-K334 CarbonylContact O-C 3.59Å; F255-K334 WeakPolarHBondContact O-CA 3.33Å; L256-K334 PolarHBondContact O-NZ 3.22Å; L256-K334 VanDerWaalsContact O-NZ 3.14Å; V257-K334 HydrophobicContact CG2-CB 3.87Å; E274-K334 VanDerWaalsContact CD-NZ 3.31Å; E274-K334 WeakPolarHBondContact OE1-CE 3.21Å; E274-K334 IonicContact OE1-NZ 3.09Å; E274-K334 PolarHBondContact OE1-NZ 2.9Å; E274-K334 VanDerWaalsContact OE1-NZ 3.09Å; E274-K334 WeakPolarHBondContact OE2-CE 3.09Å; E274-K334 IonicContact OE2-NZ 2.74Å; E274-K334 PolarHBondContact OE2-NZ 2.77Å; V276-K334 HydrophobicContact CG2-CB 4.47Å; V276-K334 HydrophobicContact CG2-CD 3.8Å; L326-K334 WeakPolarHBondContact CB-O 3.36Å; L326-K334 PolarHBondContact N-O 2.92Å; L326-K334 PolarHBondContact O-N 3.24Å |
| 335 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 137.5 | 172 | -54.3 | -175.9 | 0 | 0 | 0 | 110.3 | F255 L256 V257 I303 A306 L307 Y317 L320 V325 I333 Y338 | F255-L335 PolarHBondContact O-N 2.86Å; L256-L335 HydrophobicContact CD2-CB 3.79Å; L256-L335 HydrophobicContact CD2-CD1 4.11Å; L256-L335 HydrophobicContact CD2-CG 4.18Å; V257-L335 WeakPolarHBondContact CG2-O 3.45Å; V257-L335 PolarHBondContact N-O 3.33Å; V257-L335 VanDerWaalsContact N-O 3.13Å; I303-L335 HydrophobicContact CG1-CD2 4.28Å; I303-L335 HydrophobicContact CG2-CD2 4.42Å; A306-L335 HydrophobicContact CB-CD1 3.68Å; A306-L335 HydrophobicContact CB-CG 4.03Å; L307-L335 HydrophobicContact CD2-CD1 4.16Å; L307-L335 HydrophobicContact CG-CD1 4.49Å; Y317-L335 HydrophobicContact CD1-CD1 4.44Å; Y317-L335 HydrophobicContact CE1-CD1 4.25Å; L320-L335 HydrophobicContact CD1-CD2 3.88Å; V325-L335 HydrophobicContact CB-CD2 4.48Å; V325-L335 HydrophobicContact CG1-CD2 4.49Å; V325-L335 HydrophobicContact CG2-CD2 3.77Å; I333-L335 HydrophobicContact CD1-CD2 4.29Å; I333-L335 HydrophobicContact CD1-CG 4.43Å; L335-Y338 PolarHBondContact O-OH 2.89Å |
| 336 | T | 95.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | trans | -125.5 | -174.3 | 179.6 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | Y317 N324 L326 | Y317-T336 WeakPolarHBondContact CE2-O 3.49Å; Y317-T336 PolarHBondContact OH-O 3.3Å; N324-T336 HydrophobicContact CB-CG2 4.48Å; N324-T336 PolarHBondContact O-N 3.37Å; N324-T336 VanDerWaalsContact O-N 3.09Å; L326-T336 HydrophobicContact CD1-CG2 3.87Å; L326-T336 HydrophobicContact CD2-CG2 3.98Å; L326-T336 HydrophobicContact CG-CG2 3.73Å | ||
| 337 | D | 91.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | trans | 54 | 70.3 | 174.3 | -157.5 | 11.7 | 0 | 0 | 0 | 115.1 | K224 G339 | K224-D337 IonicContact NZ-OD1 3.14Å; K224-D337 PolarHBondContact NZ-OD1 2.92Å; D337-G339 PolarHBondContact O-N 3.2Å | ||
| 338 | Y | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -79 | 4.2 | -178.5 | -52.7 | -47.5 | 0 | 0 | 0 | 114.8 | V246 F247 A250 L256 V257 Y317 L335 M340 C341 | V246-Y338 HydrophobicContact CB-CD2 4.48Å; V246-Y338 HydrophobicContact CB-CG 4.27Å; V246-Y338 HydrophobicContact CG1-CD1 3.92Å; V246-Y338 HydrophobicContact CG1-CD2 3.92Å; V246-Y338 HydrophobicContact CG1-CG 3.55Å; F247-Y338 HydrophobicContact CB-CD2 4.39Å; F247-Y338 AromaticContact CD1-CD2 3.51Å; F247-Y338 HydrophobicContact CD1-CD2 3.51Å; F247-Y338 AromaticContact CD1-CE2 3.4Å; F247-Y338 HydrophobicContact CD1-CE2 3.4Å; F247-Y338 VanDerWaalsContact CD1-CE2 3.4Å; F247-Y338 AromaticContact CD2-CD2 3.96Å; F247-Y338 HydrophobicContact CD2-CD2 3.96Å; F247-Y338 AromaticContact CE1-CD2 3.54Å; F247-Y338 HydrophobicContact CE1-CD2 3.54Å; F247-Y338 AromaticContact CE1-CE2 3.4Å; F247-Y338 HydrophobicContact CE1-CE2 3.4Å; F247-Y338 AromaticContact CE2-CD2 4Å; F247-Y338 HydrophobicContact CE2-CD2 4Å; F247-Y338 AromaticContact CG-CD2 3.7Å; F247-Y338 HydrophobicContact CG-CD2 3.7Å; F247-Y338 HydrophobicContact CG-CE2 4.05Å; F247-Y338 AromaticContact CZ-CD2 3.78Å; F247-Y338 HydrophobicContact CZ-CD2 3.78Å; F247-Y338 HydrophobicContact CZ-CE2 4.07Å; A250-Y338 HydrophobicContact CB-CE2 3.94Å; L256-Y338 WeakPolarHBondContact CB-OH 3.24Å; L256-Y338 HydrophobicContact CD2-CE1 4.4Å; V257-Y338 PolarHBondContact N-OH 2.97Å; V257-Y338 PolarHBondContact O-OH 3.35Å; Y317-Y338 HydrophobicContact CD2-CD1 4.21Å; Y317-Y338 AromaticContact CE2-CD1 3.83Å; Y317-Y338 HydrophobicContact CE2-CD1 3.83Å; Y317-Y338 HydrophobicContact CE2-CE1 4.16Å; L335-Y338 PolarHBondContact O-OH 2.89Å; Y338-M340 PolarHBondContact O-N 3.47Å; Y338-M340 VanDerWaalsContact O-N 3.11Å; Y338-C341 VanDerWaalsContact O-CB 3.24Å; Y338-C341 WeakPolarHBondContact O-CB 3.38Å; Y338-C341 PolarHBondContact O-N 3.49Å; Y338-C341 PolarHBondContact O-SG 2.93Å; Y338-C341 VanDerWaalsContact O-SG 3.33Å |
| 339 | G | 88.1 | Confident | 91.7 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -53.6 | -35.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W239 E243 D337 C341 | W239-G339 VanDerWaalsContact NE1-CA 3.29Å; W239-G339 PolarHBondContact NE1-O 3.38Å; E243-G339 PolarHBondContact OE1-N 3.46Å; D337-G339 PolarHBondContact O-N 3.2Å; G339-C341 VanDerWaalsContact C-N 3.27Å; G339-C341 PolarHBondContact O-N 3.44Å |
| 340 | M | 87.5 | Confident | 91.7 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -84.5 | 0.6 | -177.4 | -64.2 | -67.9 | -91.9 | 0 | 0 | 113.7 | Y317 R318 D319 Y338 C355 G356 | Y317-M340 CarbonylContact O-C 3.55Å; R318-M340 PolarHBondContact NE-O 3.18Å; R318-M340 PolarHBondContact NH2-O 3.38Å; D319-M340 HydrophobicContact CB-CB 3.65Å; D319-M340 HydrophobicContact CB-CG 3.81Å; Y338-M340 PolarHBondContact O-N 3.47Å; Y338-M340 VanDerWaalsContact O-N 3.11Å; M340-C355 HydrophobicContact CE-CB 3.6Å; M340-G356 VanDerWaalsContact CE-N 3.27Å |
| 341 | C | 92.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | trans | -62.4 | 154.5 | -176.1 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | V246 I315 I316 R318 Y338 G339 | V246-C341 HydrophobicContact CG2-CB 3.83Å; I315-C341 HydrophobicContact CG2-CB 3.96Å; I316-C341 CarbonylContact O-C 3.54Å; I316-C341 WeakPolarHBondContact O-CA 3.49Å; R318-C341 PolarHBondContact NH2-O 2.99Å; Y338-C341 VanDerWaalsContact O-CB 3.24Å; Y338-C341 WeakPolarHBondContact O-CB 3.38Å; Y338-C341 PolarHBondContact O-N 3.49Å; Y338-C341 PolarHBondContact O-SG 2.93Å; Y338-C341 VanDerWaalsContact O-SG 3.33Å; G339-C341 VanDerWaalsContact C-N 3.27Å; G339-C341 PolarHBondContact O-N 3.44Å | ||
| 342 | K | 91.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 111.9 | 167.7 | 178.8 | 62.4 | -177.3 | 165.2 | 0 | 109.3 | I315 I316 I345 T351 | I315-K342 CarbonylContact C-O 3.52Å; I315-K342 VanDerWaalsContact CA-O 3.32Å; I315-K342 WeakPolarHBondContact CA-O 3.49Å; I316-K342 HydrophobicContact CB-CB 4.32Å; I316-K342 HydrophobicContact CD1-CB 4.42Å; I316-K342 PolarHBondContact N-O 3.49Å; I316-K342 PolarHBondContact O-N 3.34Å; K342-I345 HydrophobicContact CG-CD1 3.86Å; K342-I345 HydrophobicContact CG-CG1 3.93Å; K342-T351 HydrophobicContact CG-CG2 4.19Å |
| 343 | E | 92 | Very high | 90.7 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -89.9 | 169 | 174.5 | 64.6 | 177.3 | -161.8 | 0 | 0 | 113.2 | T242 H245 G314 I315 | T242-E343 HydrophobicContact CG2-CB 4.49Å; T242-E343 HydrophobicContact CG2-CG 4.01Å; H245-E343 IonicContact CE1-OE2 4Å; H245-E343 IonicContact CG-OE2 3.68Å; H245-E343 IonicContact ND1-OE2 2.74Å; H245-E343 PolarHBondContact ND1-OE2 3.35Å; G314-E343 CarbonylContact O-C 3.6Å; G314-E343 WeakPolarHBondContact O-CA 3.31Å; I315-E343 HydrophobicContact CG1-CB 4.28Å | ||
| 344 | G | 90.5 | Very high | 90.2 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 66% | 0.66 | 30% | 0.3 | S | S | * | . | trans | 76.1 | 26.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G314 | G314-G344 PolarHBondContact O-N 3.49Š| ||
| 345 | I | 91.2 | Very high | 89.6 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | trans | -94.8 | 109.5 | 177.4 | -56.4 | -61.9 | 0 | 0 | 0 | 108.6 | G314 I316 K342 D349 F373 | G314-I345 WeakPolarHBondContact CA-O 3.48Å; G314-I345 PolarHBondContact O-N 2.65Å; I316-I345 HydrophobicContact CD1-CD1 4.27Å; I316-I345 HydrophobicContact CD1-CG1 3.76Å; I316-I345 HydrophobicContact CD1-CG2 4.31Å; I316-I345 HydrophobicContact CG1-CB 4.42Å; I316-I345 HydrophobicContact CG1-CG1 3.95Å; I316-I345 HydrophobicContact CG1-CG2 4.45Å; K342-I345 HydrophobicContact CG-CD1 3.86Å; K342-I345 HydrophobicContact CG-CG1 3.93Å; I345-D349 HydrophobicContact CG2-CB 4.12Å; I345-F373 HydrophobicContact CB-CE1 4.15Å; I345-F373 HydrophobicContact CB-CZ 4.1Å; I345-F373 HydrophobicContact CG2-CE1 3.92Å; I345-F373 HydrophobicContact CG2-CE2 4.29Å; I345-F373 HydrophobicContact CG2-CZ 3.67Å | ||
| 346 | S | 86.2 | Confident | 89 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | trans | -103.4 | -178.6 | 176.1 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | G348 D349 | S346-G348 PolarHBondContact O-N 2.77Å; S346-D349 WeakPolarHBondContact CA-OD2 3.37Å; S346-D349 WeakPolarHBondContact CB-OD2 3.22Å; S346-D349 PolarHBondContact N-OD2 2.78Å; S346-D349 WeakPolarHBondContact O-CB 3.37Å; S346-D349 PolarHBondContact O-N 2.81Å; S346-D349 PolarHBondContact OG-OD2 2.61Å | ||
| 347 | G | 76.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 81% | 0.814 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 102.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 348 | G | 79.4 | Confident | 88.6 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -8.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S346 | S346-G348 PolarHBondContact O-N 2.77Š|
| 349 | D | 91.5 | Very high | 88.5 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | trans | -72.2 | 147 | 175.4 | -68.3 | -31.5 | 0 | 0 | 0 | 111.3 | I345 S346 S372 | I345-D349 HydrophobicContact CG2-CB 4.12Å; S346-D349 WeakPolarHBondContact CA-OD2 3.37Å; S346-D349 WeakPolarHBondContact CB-OD2 3.22Å; S346-D349 PolarHBondContact N-OD2 2.78Å; S346-D349 WeakPolarHBondContact O-CB 3.37Å; S346-D349 PolarHBondContact O-N 2.81Å; S346-D349 PolarHBondContact OG-OD2 2.61Å; D349-S372 PolarHBondContact O-OG 3.28Å | ||
| 350 | T | 93.7 | Very high | 88.9 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | trans | -131.8 | 165.2 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | E370 Y371 | T350-E370 HydrophobicContact CG2-CB 4.28Å; T350-E370 PolarHBondContact OG1-OE2 3.47Å; T350-Y371 CarbonylContact C-O 3.31Å; T350-Y371 VanDerWaalsContact CA-O 3.26Å; T350-Y371 WeakPolarHBondContact CA-O 3.31Å; T350-Y371 WeakPolarHBondContact CB-O 2.85Å | ||
| 351 | T | 90.7 | Very high | 89.2 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 165.9 | 168.5 | -162 | 0 | 0 | 0 | 0 | 110.3 | I316 K342 E370 Y371 | I316-T351 HydrophobicContact CD1-CG2 4.11Å; K342-T351 HydrophobicContact CG-CG2 4.19Å; T351-E370 CarbonylContact O-C 3.45Å; T351-E370 WeakPolarHBondContact O-CA 3.41Å; T351-Y371 HydrophobicContact CG2-CD2 3.92Å; T351-Y371 HydrophobicContact CG2-CE1 4.11Å; T351-Y371 HydrophobicContact CG2-CE2 3.33Å; T351-Y371 VanDerWaalsContact CG2-CZ 3.44Å; T351-Y371 PolarHBondContact N-O 3.16Å; T351-Y371 VanDerWaalsContact O-CD1 3.31Å; T351-Y371 WeakPolarHBondContact O-CD1 3.42Å; T351-Y371 PolarHBondContact O-N 3Å |
| 352 | S | 91.7 | Very high | 89.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | trans | -134.9 | 17.3 | -174.5 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | F354 | S352-F354 PolarHBondContact O-N 3.33Š| ||
| 353 | T | 86.7 | Confident | 89.7 | Confident | 40 Ų | 40 | 43 Ų | 43 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | trans | -72.3 | 119.3 | 179.7 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | C355 Y371 | T353-C355 HydrophobicContact CG2-CB 4.16Å; T353-C355 PolarHBondContact O-N 3.09Å; T353-Y371 WeakPolarHBondContact O-CE1 3.49Å; T353-Y371 PolarHBondContact O-OH 3.44Å | ||
| 354 | F | 88.4 | Confident | 89.9 | Confident | 113 Ų | 113 | 40 Ų | 40 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | trans | -70.3 | 110.7 | 169.8 | -170.2 | -81.6 | 0 | 0 | 0 | 109.7 | S352 I361 I365 L366 F412 | S352-F354 PolarHBondContact O-N 3.33Å; F354-I361 HydrophobicContact CE1-CD1 4.22Å; F354-I361 HydrophobicContact CZ-CD1 4.21Å; F354-I365 HydrophobicContact CD2-CG2 3.79Å; F354-I365 HydrophobicContact CE2-CG2 4.2Å; F354-I365 HydrophobicContact CG-CG2 4.27Å; F354-L366 HydrophobicContact CE2-CD2 3.81Å; F354-L366 HydrophobicContact CZ-CD2 3.88Å; F354-F412 HydrophobicContact CZ-CE2 4.28Å; F354-F412 HydrophobicContact CZ-CZ 4.3Å | ||
| 355 | C | 85.7 | Confident | 90 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | trans | -160.1 | 167.3 | -177.6 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | R318 M340 T353 | R318-C355 VanDerWaalsContact CZ-SG 3.55Å; R318-C355 PolarHBondContact NH1-SG 3.46Å; M340-C355 HydrophobicContact CE-CB 3.6Å; T353-C355 HydrophobicContact CG2-CB 4.16Å; T353-C355 PolarHBondContact O-N 3.09Å | ||
| 356 | G | 85.4 | Confident | 90 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 118.2 | 168.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | R318 M340 | R318-G356 WeakPolarHBondContact O-CA 3.47Å; M340-G356 VanDerWaalsContact CE-N 3.27Å |
| 357 | T | 87.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 23% | 0.233 | 25% | 0.253 | C | S | . | . | trans | -78.8 | 128.6 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 110 | D319 K321 N359 Y360 I361 | D319-T357 PolarHBondContact OD1-N 3.01Å; D319-T357 PolarHBondContact OD1-OG1 3.22Å; K321-T357 HydrophobicContact CD-CG2 4.19Å; K321-T357 WeakPolarHBondContact CD-OG1 3.44Å; K321-T357 PolarHBondContact NZ-OG1 2.78Å; T357-N359 VanDerWaalsContact C-N 3.31Å; T357-N359 PolarHBondContact O-N 3.3Å; T357-Y360 HydrophobicContact CG2-CD2 4.04Å; T357-Y360 HydrophobicContact CG2-CE2 4.45Å; T357-Y360 PolarHBondContact O-N 2.74Å; T357-I361 WeakPolarHBondContact O-CG1 3.36Å; T357-I361 PolarHBondContact O-N 3.4Å | ||
| 358 | P | 90.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -45.9 | -43.7 | -167.4 | -34 | 36.1 | 0 | 0 | 0 | 116.4 | Y360 I361 E408 L411 F412 I415 | P358-Y360 PolarHBondContact O-N 3.13Å; P358-I361 PolarHBondContact O-N 3.04Å; P358-E408 HydrophobicContact CG-CG 4.49Å; P358-L411 HydrophobicContact CB-CD2 3.95Å; P358-F412 HydrophobicContact CB-CE1 3.91Å; P358-F412 HydrophobicContact CB-CZ 4.32Å; P358-I415 WeakPolarHBondContact O-CD1 3.3Å |
| 359 | N | 91.2 | Very high | 91.6 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68.7 | -17.4 | -178.5 | -166.3 | 63 | 0 | 0 | 0 | 113.9 | T357 E386 S392 F394 | T357-N359 VanDerWaalsContact C-N 3.31Å; T357-N359 PolarHBondContact O-N 3.3Å; N359-E386 PolarHBondContact ND2-OE1 2.76Å; N359-S392 PolarHBondContact ND2-OG 3.42Å; N359-S392 PolarHBondContact OD1-OG 2.98Å; N359-F394 VanDerWaalsContact O-CE2 3.22Å; N359-F394 WeakPolarHBondContact O-CE2 3.16Å |
| 360 | Y | 96.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -112.1 | -3.3 | -177 | -59.9 | -92.2 | 0 | 0 | 0 | 113.1 | L320 K321 L322 T357 P358 A362 W378 A379 V382 L383 E386 | L320-Y360 VanDerWaalsContact O-CD1 3.3Å; L320-Y360 WeakPolarHBondContact O-CD1 3.44Å; L320-Y360 VanDerWaalsContact O-CG 3.32Å; K321-Y360 HydrophobicContact CB-CD2 3.73Å; K321-Y360 HydrophobicContact CB-CE1 4.28Å; K321-Y360 HydrophobicContact CB-CE2 3.34Å; K321-Y360 HydrophobicContact CB-CG 4.32Å; L322-Y360 PolarHBondContact N-OH 2.78Å; T357-Y360 HydrophobicContact CG2-CD2 4.04Å; T357-Y360 HydrophobicContact CG2-CE2 4.45Å; T357-Y360 PolarHBondContact O-N 2.74Å; P358-Y360 PolarHBondContact O-N 3.13Å; Y360-A362 PolarHBondContact O-N 2.81Å; Y360-W378 VanDerWaalsContact O-CD1 3.31Å; Y360-A379 HydrophobicContact CD1-CB 4.48Å; Y360-V382 HydrophobicContact CD1-CB 3.79Å; Y360-V382 HydrophobicContact CD1-CG1 3.6Å; Y360-V382 HydrophobicContact CE1-CB 4.13Å; Y360-V382 HydrophobicContact CE1-CG1 3.66Å; Y360-V382 HydrophobicContact CG-CG1 4.35Å; Y360-L383 HydrophobicContact CE1-CB 4.17Å; Y360-E386 WeakPolarHBondContact CE1-OE2 3.29Å; Y360-E386 PolarHBondContact OH-OE2 2.99Å |
| 361 | I | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | trans | -63.3 | 129.8 | -179.8 | -60.6 | -177.5 | 0 | 0 | 0 | 109.7 | F354 T357 P358 I365 L366 W378 F412 | F354-I361 HydrophobicContact CE1-CD1 4.22Å; F354-I361 HydrophobicContact CZ-CD1 4.21Å; T357-I361 WeakPolarHBondContact O-CG1 3.36Å; T357-I361 PolarHBondContact O-N 3.4Å; P358-I361 PolarHBondContact O-N 3.04Å; I361-I365 HydrophobicContact CG2-CB 3.65Å; I361-I365 HydrophobicContact CG2-CD1 4.15Å; I361-I365 HydrophobicContact CG2-CG1 4.46Å; I361-I365 HydrophobicContact CG2-CG2 3.66Å; I361-L366 HydrophobicContact CB-CD2 4.25Å; I361-L366 HydrophobicContact CG2-CD2 3.6Å; I361-L366 HydrophobicContact CG2-CG 3.79Å; I361-W378 PolarHBondContact O-NE1 3.44Å; I361-F412 HydrophobicContact CD1-CE1 4.16Å; I361-F412 HydrophobicContact CD1-CZ 4.4Å | ||
| 362 | A | 97.6 | Very high | 92 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | trans | -73.6 | 149.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y360 E364 I365 L366 V375 W378 | Y360-A362 PolarHBondContact O-N 2.81Å; A362-E364 VanDerWaalsContact C-N 3.27Å; A362-E364 HydrophobicContact CB-CG 4.28Å; A362-E364 WeakPolarHBondContact CB-OE2 3.31Å; A362-E364 PolarHBondContact O-N 2.94Å; A362-I365 HydrophobicContact CB-CD1 4.41Å; A362-I365 HydrophobicContact CB-CG1 4.49Å; A362-I365 WeakPolarHBondContact O-CB 3.46Å; A362-I365 PolarHBondContact O-N 3.29Å; A362-L366 PolarHBondContact O-N 2.94Å; A362-V375 HydrophobicContact CB-CB 3.95Å; A362-V375 HydrophobicContact CB-CG1 3.87Å; A362-W378 VanDerWaalsContact CA-CD1 3.49Å; A362-W378 HydrophobicContact CB-CB 3.91Å; A362-W378 HydrophobicContact CB-CD2 4.47Å; A362-W378 HydrophobicContact CB-CG 3.79Å | ||
| 363 | P | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.3 | -37.3 | -178.3 | -27.9 | 36.2 | 0 | 0 | 0 | 113.9 | I365 L366 R367 W378 I415 L416 K440 | P363-I365 VanDerWaalsContact C-N 3.32Å; P363-I365 PolarHBondContact O-N 3.48Å; P363-L366 PolarHBondContact O-N 3.06Å; P363-R367 WeakPolarHBondContact O-CG 3.42Å; P363-R367 PolarHBondContact O-N 3.26Å; P363-W378 HydrophobicContact CG-CD2 4.35Å; P363-W378 HydrophobicContact CG-CE3 4.1Å; P363-W378 HydrophobicContact CG-CH2 3.47Å; P363-W378 VanDerWaalsContact CG-CH2 3.47Å; P363-W378 HydrophobicContact CG-CZ2 3.76Å; P363-W378 HydrophobicContact CG-CZ3 3.65Å; P363-I415 HydrophobicContact CG-CG2 4.17Å; P363-L416 HydrophobicContact CB-CD2 4.2Å; P363-K440 HydrophobicContact CB-CB 4.5Å; P363-K440 HydrophobicContact CG-CB 4.25Å; P363-K440 HydrophobicContact CG-CG 4.09Å |
| 364 | E | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 177.4 | 58.9 | -94.1 | -142.4 | 0 | 0 | 112.8 | A362 R367 G368 E369 S374 V375 P442 R445 | A362-E364 VanDerWaalsContact C-N 3.27Å; A362-E364 HydrophobicContact CB-CG 4.28Å; A362-E364 WeakPolarHBondContact CB-OE2 3.31Å; A362-E364 PolarHBondContact O-N 2.94Å; E364-R367 PolarHBondContact O-N 3.46Å; E364-G368 PolarHBondContact O-N 3.11Å; E364-E369 WeakPolarHBondContact CA-OE2 3.35Å; E364-E369 HydrophobicContact CB-CB 4.21Å; E364-E369 VanDerWaalsContact CB-OE2 3.31Å; E364-E369 WeakPolarHBondContact CB-OE2 3.31Å; E364-E369 WeakPolarHBondContact O-CB 3.05Å; E364-E369 PolarHBondContact O-N 3.04Å; E364-S374 WeakPolarHBondContact OE1-CB 3.07Å; E364-S374 PolarHBondContact OE1-OG 2.52Å; E364-V375 HydrophobicContact CG-CG1 4.03Å; E364-P442 HydrophobicContact CB-CG 4.42Å; E364-R445 IonicContact OE1-CZ 3.56Å; E364-R445 IonicContact OE1-NH1 3.44Å; E364-R445 PolarHBondContact OE1-NH1 3.16Å; E364-R445 IonicContact OE1-NH2 2.81Å; E364-R445 IonicContact OE2-CZ 4Å; E364-R445 IonicContact OE2-NH1 2.81Å; E364-R445 PolarHBondContact OE2-NH1 2.88Å; E364-R445 IonicContact OE2-NH2 3.5Å; E364-R445 PolarHBondContact OE2-NH2 2.71Å |
| 365 | I | 93.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 174.6 | -61.3 | 174.2 | 0 | 0 | 0 | 109.8 | F354 I361 A362 P363 R367 G368 Y371 V375 | F354-I365 HydrophobicContact CD2-CG2 3.79Å; F354-I365 HydrophobicContact CE2-CG2 4.2Å; F354-I365 HydrophobicContact CG-CG2 4.27Å; I361-I365 HydrophobicContact CG2-CB 3.65Å; I361-I365 HydrophobicContact CG2-CD1 4.15Å; I361-I365 HydrophobicContact CG2-CG1 4.46Å; I361-I365 HydrophobicContact CG2-CG2 3.66Å; A362-I365 HydrophobicContact CB-CD1 4.41Å; A362-I365 HydrophobicContact CB-CG1 4.49Å; A362-I365 WeakPolarHBondContact O-CB 3.46Å; A362-I365 PolarHBondContact O-N 3.29Å; P363-I365 VanDerWaalsContact C-N 3.32Å; P363-I365 PolarHBondContact O-N 3.48Å; I365-R367 VanDerWaalsContact C-N 3.3Å; I365-R367 PolarHBondContact O-N 2.91Å; I365-G368 PolarHBondContact O-N 3.25Å; I365-Y371 HydrophobicContact CD1-CE1 4.3Å; I365-Y371 HydrophobicContact CD1-CE2 4.44Å; I365-Y371 HydrophobicContact CG1-CD1 3.68Å; I365-Y371 HydrophobicContact CG1-CD2 4.47Å; I365-Y371 HydrophobicContact CG1-CE1 3.72Å; I365-Y371 HydrophobicContact CG1-CG 4.06Å; I365-V375 HydrophobicContact CD1-CB 4Å; I365-V375 HydrophobicContact CD1-CG1 3.74Å; I365-V375 HydrophobicContact CG1-CG1 3.85Å |
| 366 | L | 90.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -31.9 | -179.9 | -63.7 | -179.2 | 0 | 0 | 0 | 112.7 | F354 I361 A362 P363 G368 F412 I415 L416 | F354-L366 HydrophobicContact CE2-CD2 3.81Å; F354-L366 HydrophobicContact CZ-CD2 3.88Å; I361-L366 HydrophobicContact CB-CD2 4.25Å; I361-L366 HydrophobicContact CG2-CD2 3.6Å; I361-L366 HydrophobicContact CG2-CG 3.79Å; A362-L366 PolarHBondContact O-N 2.94Å; P363-L366 PolarHBondContact O-N 3.06Å; L366-G368 PolarHBondContact O-N 3.23Å; L366-F412 HydrophobicContact CD1-CB 3.96Å; L366-F412 HydrophobicContact CD1-CD1 4.04Å; L366-F412 HydrophobicContact CD1-CG 4.27Å; L366-F412 HydrophobicContact CD2-CB 4.12Å; L366-F412 HydrophobicContact CD2-CD1 3.53Å; L366-F412 HydrophobicContact CD2-CD2 4.21Å; L366-F412 HydrophobicContact CD2-CE1 3.95Å; L366-F412 HydrophobicContact CD2-CG 3.69Å; L366-F412 HydrophobicContact CD2-CZ 4.46Å; L366-F412 HydrophobicContact CG-CD1 4.46Å; L366-I415 HydrophobicContact CD1-CB 3.78Å; L366-I415 HydrophobicContact CD1-CD1 4.23Å; L366-I415 HydrophobicContact CD1-CG2 3.54Å; L366-L416 HydrophobicContact CB-CD1 4.15Å; L366-L416 HydrophobicContact CB-CD2 3.88Å; L366-L416 HydrophobicContact CB-CG 4.09Å; L366-L416 HydrophobicContact CD1-CD2 4.47Å; L366-L416 HydrophobicContact CD1-CG 4.11Å |
| 367 | R | 90.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 29.7 Ų | 29.7 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.5 | 172.9 | -67.4 | 177.3 | -159.9 | 125 | 3.7 | 113.4 | P363 E364 I365 E369 L416 K440 | P363-R367 WeakPolarHBondContact O-CG 3.42Å; P363-R367 PolarHBondContact O-N 3.26Å; E364-R367 PolarHBondContact O-N 3.46Å; I365-R367 VanDerWaalsContact C-N 3.3Å; I365-R367 PolarHBondContact O-N 2.91Å; R367-E369 VanDerWaalsContact C-N 3.26Å; R367-E369 HydrophobicContact CB-CG 3.85Å; R367-E369 WeakPolarHBondContact CD-OE1 3.37Å; R367-E369 IonicContact NH1-OE2 3.09Å; R367-L416 HydrophobicContact CG-CD2 3.67Å; R367-K440 PolarHBondContact NH1-O 2.89Å |
| 368 | G | 91.1 | Very high | 95 | Very high | 63 Ų | 63 | 27.9 Ų | 27.9 | 65% | 0.649 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 22.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E364 I365 L366 | E364-G368 PolarHBondContact O-N 3.11Å; I365-G368 PolarHBondContact O-N 3.25Å; L366-G368 PolarHBondContact O-N 3.23Å |
| 369 | E | 92.7 | Very high | 95.4 | Very high | 81 Ų | 81 | 26.4 Ų | 26.4 | 38% | 0.379 | 14% | 0.143 | S | C | . | . | trans | -75.3 | 156 | 175.9 | -64.7 | 165.3 | -178.8 | 0 | 0 | 110.2 | E364 R367 | E364-E369 WeakPolarHBondContact CA-OE2 3.35Å; E364-E369 HydrophobicContact CB-CB 4.21Å; E364-E369 VanDerWaalsContact CB-OE2 3.31Å; E364-E369 WeakPolarHBondContact CB-OE2 3.31Å; E364-E369 WeakPolarHBondContact O-CB 3.05Å; E364-E369 PolarHBondContact O-N 3.04Å; R367-E369 VanDerWaalsContact C-N 3.26Å; R367-E369 HydrophobicContact CB-CG 3.85Å; R367-E369 WeakPolarHBondContact CD-OE1 3.37Å; R367-E369 IonicContact NH1-OE2 3.09Å | ||
| 370 | E | 94.4 | Very high | 95.8 | Very high | 135 Ų | 135 | 24.9 Ų | 24.9 | 63% | 0.631 | 14% | 0.135 | S | C | * | . | trans | -71.9 | 138.9 | 166.9 | -64.2 | -170.3 | 160.4 | 0 | 0 | 109.7 | T350 T351 | T350-E370 HydrophobicContact CG2-CB 4.28Å; T350-E370 PolarHBondContact OG1-OE2 3.47Å; T351-E370 CarbonylContact O-C 3.45Å; T351-E370 WeakPolarHBondContact O-CA 3.41Å | ||
| 371 | Y | 94.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -136.8 | 164.2 | -173.1 | 65.7 | -96.4 | 0 | 0 | 0 | 111.9 | R318 T350 T351 T353 I365 V375 | R318-Y371 WeakPolarHBondContact CD-OH 2.93Å; R318-Y371 PolarHBondContact NH1-OH 3.43Å; T350-Y371 CarbonylContact C-O 3.31Å; T350-Y371 VanDerWaalsContact CA-O 3.26Å; T350-Y371 WeakPolarHBondContact CA-O 3.31Å; T350-Y371 WeakPolarHBondContact CB-O 2.85Å; T351-Y371 HydrophobicContact CG2-CD2 3.92Å; T351-Y371 HydrophobicContact CG2-CE1 4.11Å; T351-Y371 HydrophobicContact CG2-CE2 3.33Å; T351-Y371 VanDerWaalsContact CG2-CZ 3.44Å; T351-Y371 PolarHBondContact N-O 3.16Å; T351-Y371 VanDerWaalsContact O-CD1 3.31Å; T351-Y371 WeakPolarHBondContact O-CD1 3.42Å; T351-Y371 PolarHBondContact O-N 3Å; T353-Y371 WeakPolarHBondContact O-CE1 3.49Å; T353-Y371 PolarHBondContact O-OH 3.44Å; I365-Y371 HydrophobicContact CD1-CE1 4.3Å; I365-Y371 HydrophobicContact CD1-CE2 4.44Å; I365-Y371 HydrophobicContact CG1-CD1 3.68Å; I365-Y371 HydrophobicContact CG1-CD2 4.47Å; I365-Y371 HydrophobicContact CG1-CE1 3.72Å; I365-Y371 HydrophobicContact CG1-CG 4.06Å; Y371-V375 HydrophobicContact CD2-CB 4.39Å; Y371-V375 HydrophobicContact CD2-CG1 3.47Å; Y371-V375 VanDerWaalsContact CD2-CG1 3.47Å; Y371-V375 HydrophobicContact CD2-CG2 4Å; Y371-V375 HydrophobicContact CE2-CG1 4.22Å; Y371-V375 HydrophobicContact CE2-CG2 4.16Å; Y371-V375 HydrophobicContact CG-CG1 3.74Å |
| 372 | S | 95.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 23.9 Ų | 23.9 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | trans | -134.9 | -141.5 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | D349 S374 | D349-S372 PolarHBondContact O-OG 3.28Å; S372-S374 PolarHBondContact O-N 2.8Å | ||
| 373 | F | 97 | Very high | 96.2 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 9% | 0.088 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.1 | 179.8 | -52.9 | -52.1 | 0 | 0 | 0 | 115.1 | H311 I316 I345 V375 D376 L452 | H311-F373 HydrophobicContact CB-CD1 3.83Å; H311-F373 HydrophobicContact CB-CD2 4.41Å; H311-F373 HydrophobicContact CB-CE1 4.08Å; H311-F373 HydrophobicContact CB-CG 4.04Å; H311-F373 HydrophobicContact CB-CZ 4.46Å; H311-F373 AromaticContact CD2-CD1 3.41Å; H311-F373 VanDerWaalsContact CD2-CD1 3.41Å; H311-F373 WeakPolarHBondContact CD2-CD1 3.47Å; H311-F373 AromaticContact CD2-CG 3.99Å; H311-F373 AromaticContact CG-CD1 3.54Å; H311-F373 AromaticContact CG-CG 3.74Å; H311-F373 AromaticContact ND1-CG 3.97Å; H311-F373 AromaticContact NE2-CD1 3.98Å; H311-F373 WeakPolarHBondContact O-CZ 3.4Å; I316-F373 HydrophobicContact CG1-CD1 3.7Å; I316-F373 HydrophobicContact CG1-CE1 3.88Å; I345-F373 HydrophobicContact CB-CE1 4.15Å; I345-F373 HydrophobicContact CB-CZ 4.1Å; I345-F373 HydrophobicContact CG2-CE1 3.92Å; I345-F373 HydrophobicContact CG2-CE2 4.29Å; I345-F373 HydrophobicContact CG2-CZ 3.67Å; F373-V375 PolarHBondContact O-N 2.92Å; F373-V375 VanDerWaalsContact O-N 3.1Å; F373-D376 PolarHBondContact O-N 3.21Å; F373-L452 HydrophobicContact CD2-CD1 4.11Å |
| 374 | S | 97.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -30 | -177 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | E364 S372 D376 W377 W378 R445 C448 | E364-S374 WeakPolarHBondContact OE1-CB 3.07Å; E364-S374 PolarHBondContact OE1-OG 2.52Å; S372-S374 PolarHBondContact O-N 2.8Å; S374-D376 VanDerWaalsContact C-N 3.34Å; S374-W377 PolarHBondContact O-N 3.34Å; S374-W378 PolarHBondContact O-N 3.06Å; S374-W378 VanDerWaalsContact O-N 3.17Å; S374-R445 PolarHBondContact O-NH1 3.39Å; S374-C448 VanDerWaalsContact CA-SG 3.57Å; S374-C448 VanDerWaalsContact CB-SG 3.56Å |
| 375 | V | 98.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.3 | -31.9 | -175.7 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | I316 R318 A362 E364 I365 Y371 F373 W378 A379 | I316-V375 HydrophobicContact CG2-CG2 3.69Å; R318-V375 HydrophobicContact CG-CG2 4.3Å; A362-V375 HydrophobicContact CB-CB 3.95Å; A362-V375 HydrophobicContact CB-CG1 3.87Å; E364-V375 HydrophobicContact CG-CG1 4.03Å; I365-V375 HydrophobicContact CD1-CB 4Å; I365-V375 HydrophobicContact CD1-CG1 3.74Å; I365-V375 HydrophobicContact CG1-CG1 3.85Å; Y371-V375 HydrophobicContact CD2-CB 4.39Å; Y371-V375 HydrophobicContact CD2-CG1 3.47Å; Y371-V375 VanDerWaalsContact CD2-CG1 3.47Å; Y371-V375 HydrophobicContact CD2-CG2 4Å; Y371-V375 HydrophobicContact CE2-CG1 4.22Å; Y371-V375 HydrophobicContact CE2-CG2 4.16Å; Y371-V375 HydrophobicContact CG-CG1 3.74Å; F373-V375 PolarHBondContact O-N 2.92Å; F373-V375 VanDerWaalsContact O-N 3.1Å; V375-W378 PolarHBondContact O-N 3.17Å; V375-A379 PolarHBondContact O-N 3.34Å |
| 376 | D | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.3 | -37.4 | 177.7 | -66.2 | -25.8 | 0 | 0 | 0 | 110.9 | L307 H311 I316 Y317 R318 F373 S374 W378 A379 L380 | L307-D376 HydrophobicContact CD1-CB 4.14Å; L307-D376 HydrophobicContact CD2-CB 4.05Å; H311-D376 IonicContact CD2-OD2 2.73Å; H311-D376 IonicContact CE1-OD2 3.58Å; H311-D376 IonicContact NE2-OD2 2.63Å; H311-D376 PolarHBondContact NE2-OD2 2.99Å; I316-D376 WeakPolarHBondContact CG2-OD2 3.35Å; Y317-D376 PolarHBondContact N-OD1 3.07Å; Y317-D376 PolarHBondContact N-OD2 2.89Å; R318-D376 PolarHBondContact N-OD1 3.07Å; F373-D376 PolarHBondContact O-N 3.21Å; S374-D376 VanDerWaalsContact C-N 3.34Å; D376-W378 VanDerWaalsContact C-N 3.33Å; D376-W378 PolarHBondContact O-N 3Å; D376-A379 PolarHBondContact O-N 3.48Å; D376-L380 PolarHBondContact O-N 2.95Å |
| 377 | W | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67 | -34 | 174.9 | -62.2 | 127.3 | 0 | 0 | 0 | 112.7 | I304 L307 H311 S374 L380 G381 F437 G447 I459 | I304-W377 HydrophobicContact CB-CZ3 4.29Å; I304-W377 HydrophobicContact CG1-CZ3 3.94Å; I304-W377 HydrophobicContact CG2-CH2 4.11Å; I304-W377 HydrophobicContact CG2-CZ3 4.17Å; L307-W377 HydrophobicContact CB-CH2 4.01Å; L307-W377 HydrophobicContact CB-CZ3 4.21Å; L307-W377 HydrophobicContact CD1-CE3 4.14Å; L307-W377 HydrophobicContact CD1-CH2 4.48Å; L307-W377 HydrophobicContact CD1-CZ3 3.89Å; H311-W377 AromaticContact CE1-CE2 3.76Å; H311-W377 AromaticContact CE1-CZ2 3.86Å; H311-W377 AromaticContact CE1-NE1 3.75Å; H311-W377 AromaticContact ND1-CE2 3.84Å; H311-W377 AromaticContact ND1-CZ2 3.65Å; H311-W377 AromaticContact ND1-NE1 3.78Å; S374-W377 PolarHBondContact O-N 3.34Å; W377-L380 HydrophobicContact CE3-CD2 3.87Å; W377-L380 HydrophobicContact CZ3-CD2 3.95Å; W377-G381 PolarHBondContact O-N 2.84Å; W377-F437 HydrophobicContact CB-CD1 4.02Å; W377-F437 HydrophobicContact CB-CE1 4.24Å; W377-F437 HydrophobicContact CD2-CE1 4.34Å; W377-F437 AromaticContact CE3-CE1 3.88Å; W377-F437 HydrophobicContact CE3-CE1 3.88Å; W377-F437 HydrophobicContact CE3-CZ 4.44Å; W377-F437 WeakPolarHBondContact O-CD1 3.42Å; W377-G447 PolarHBondContact NE1-O 2.79Å; W377-I459 HydrophobicContact CD2-CD1 3.93Å; W377-I459 HydrophobicContact CE3-CD1 3.75Å; W377-I459 HydrophobicContact CH2-CD1 3.62Å; W377-I459 HydrophobicContact CZ2-CD1 3.76Å; W377-I459 HydrophobicContact CZ3-CD1 3.62Å |
| 378 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 169.8 | 171.7 | -88.8 | 0 | 0 | 0 | 111.5 | Y360 I361 A362 P363 S374 V375 D376 L380 G381 V382 F394 I415 I420 L438 K440 | Y360-W378 VanDerWaalsContact O-CD1 3.31Å; I361-W378 PolarHBondContact O-NE1 3.44Å; A362-W378 VanDerWaalsContact CA-CD1 3.49Å; A362-W378 HydrophobicContact CB-CB 3.91Å; A362-W378 HydrophobicContact CB-CD2 4.47Å; A362-W378 HydrophobicContact CB-CG 3.79Å; P363-W378 HydrophobicContact CG-CD2 4.35Å; P363-W378 HydrophobicContact CG-CE3 4.1Å; P363-W378 HydrophobicContact CG-CH2 3.47Å; P363-W378 VanDerWaalsContact CG-CH2 3.47Å; P363-W378 HydrophobicContact CG-CZ2 3.76Å; P363-W378 HydrophobicContact CG-CZ3 3.65Å; S374-W378 PolarHBondContact O-N 3.06Å; S374-W378 VanDerWaalsContact O-N 3.17Å; V375-W378 PolarHBondContact O-N 3.17Å; D376-W378 VanDerWaalsContact C-N 3.33Å; D376-W378 PolarHBondContact O-N 3Å; W378-L380 VanDerWaalsContact C-N 3.26Å; W378-L380 PolarHBondContact O-N 3.29Å; W378-G381 WeakPolarHBondContact O-CA 3.17Å; W378-G381 PolarHBondContact O-N 3.35Å; W378-V382 PolarHBondContact O-N 3.36Å; W378-F394 HydrophobicContact CH2-CZ 4.49Å; W378-F394 HydrophobicContact CZ2-CE1 4.19Å; W378-F394 AromaticContact CZ2-CZ 3.65Å; W378-F394 HydrophobicContact CZ2-CZ 3.65Å; W378-I415 HydrophobicContact CZ2-CG2 3.96Å; W378-I420 HydrophobicContact CH2-CD1 4.23Å; W378-L438 HydrophobicContact CD2-CD2 4.22Å; W378-L438 HydrophobicContact CE3-CD2 4.24Å; W378-L438 HydrophobicContact CH2-CD2 4.41Å; W378-L438 HydrophobicContact CZ2-CD2 4.37Å; W378-L438 HydrophobicContact CZ3-CB 4.26Å; W378-L438 HydrophobicContact CZ3-CD2 4.35Å; W378-L438 WeakPolarHBondContact CZ3-O 3.38Å; W378-K440 HydrophobicContact CH2-CG 4.24Å; W378-K440 HydrophobicContact CZ3-CG 4.23Å |
| 379 | A | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.041 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L320 Y360 V375 D376 G381 V382 L383 | L320-A379 HydrophobicContact CB-CB 3.89Å; L320-A379 HydrophobicContact CD2-CB 4.34Å; L320-A379 HydrophobicContact CG-CB 4.48Å; Y360-A379 HydrophobicContact CD1-CB 4.48Å; V375-A379 PolarHBondContact O-N 3.34Å; D376-A379 PolarHBondContact O-N 3.48Å; A379-G381 VanDerWaalsContact C-N 3.34Å; A379-G381 PolarHBondContact O-N 3.23Å; A379-V382 PolarHBondContact O-N 3.07Å; A379-L383 WeakPolarHBondContact O-CB 3.25Å; A379-L383 PolarHBondContact O-N 3.33Å |
| 380 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 171.3 | 176.9 | 63.5 | 0 | 0 | 0 | 111.4 | I303 I304 L320 D376 W377 W378 V382 L383 M384 F437 | I303-L380 HydrophobicContact CB-CD1 4.27Å; I303-L380 HydrophobicContact CD1-CD1 4.45Å; I303-L380 HydrophobicContact CG2-CD1 3.87Å; I304-L380 HydrophobicContact CD1-CD2 4Å; I304-L380 HydrophobicContact CG1-CD2 3.39Å; L320-L380 HydrophobicContact CD2-CB 3.91Å; L320-L380 HydrophobicContact CD2-CD1 4.45Å; D376-L380 PolarHBondContact O-N 2.95Å; W377-L380 HydrophobicContact CE3-CD2 3.87Å; W377-L380 HydrophobicContact CZ3-CD2 3.95Å; W378-L380 VanDerWaalsContact C-N 3.26Å; W378-L380 PolarHBondContact O-N 3.29Å; L380-V382 VanDerWaalsContact C-N 3.3Å; L380-V382 PolarHBondContact O-N 2.81Å; L380-L383 PolarHBondContact O-N 3.2Å; L380-M384 HydrophobicContact CD1-CG 4.02Å; L380-M384 HydrophobicContact CD1-SD 4.37Å; L380-M384 HydrophobicContact CG-CG 4.22Å; L380-M384 HydrophobicContact CG-SD 4.1Å; L380-M384 VanDerWaalsContact O-CB 3.31Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 VanDerWaalsContact O-CG 3.22Å; L380-M384 WeakPolarHBondContact O-CG 3.3Å; L380-M384 PolarHBondContact O-N 3.42Å; L380-F437 HydrophobicContact CD2-CE1 4.22Å; L380-F437 HydrophobicContact CD2-CE2 4Å; L380-F437 HydrophobicContact CD2-CZ 3.77Å; L380-F437 HydrophobicContact CG-CE2 4.48Å |
| 381 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.3 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W377 W378 A379 Y385 | W377-G381 PolarHBondContact O-N 2.84Å; W378-G381 WeakPolarHBondContact O-CA 3.17Å; W378-G381 PolarHBondContact O-N 3.35Å; A379-G381 VanDerWaalsContact C-N 3.34Å; A379-G381 PolarHBondContact O-N 3.23Å; G381-Y385 WeakPolarHBondContact O-CB 3.49Å; G381-Y385 PolarHBondContact O-N 2.57Å |
| 382 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -48.5 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | Y360 W378 A379 L380 M384 Y385 E386 P393 F394 L438 | Y360-V382 HydrophobicContact CD1-CB 3.79Å; Y360-V382 HydrophobicContact CD1-CG1 3.6Å; Y360-V382 HydrophobicContact CE1-CB 4.13Å; Y360-V382 HydrophobicContact CE1-CG1 3.66Å; Y360-V382 HydrophobicContact CG-CG1 4.35Å; W378-V382 PolarHBondContact O-N 3.36Å; A379-V382 PolarHBondContact O-N 3.07Å; L380-V382 VanDerWaalsContact C-N 3.3Å; L380-V382 PolarHBondContact O-N 2.81Å; V382-M384 PolarHBondContact O-N 3.06Å; V382-Y385 WeakPolarHBondContact O-CB 3.46Å; V382-Y385 PolarHBondContact O-N 3.28Å; V382-Y385 VanDerWaalsContact O-N 3.11Å; V382-E386 WeakPolarHBondContact O-CG 3.14Å; V382-E386 PolarHBondContact O-N 2.81Å; V382-P393 HydrophobicContact CB-CG 4.49Å; V382-P393 HydrophobicContact CG1-CG 4Å; V382-P393 HydrophobicContact CG2-CG 4.37Å; V382-F394 HydrophobicContact CG1-CE2 4.23Å; V382-F394 HydrophobicContact CG2-CE2 3.85Å; V382-F394 HydrophobicContact CG2-CZ 4Å; V382-L438 HydrophobicContact CG2-CD2 3.68Å |
| 383 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 179.6 | -165.6 | 158.9 | 0 | 0 | 0 | 111.7 | L281 I303 L320 L322 V325 Y360 A379 L380 Y385 E386 M387 | L281-L383 HydrophobicContact CD2-CD2 3.92Å; I303-L383 HydrophobicContact CD1-CD1 4.49Å; I303-L383 HydrophobicContact CD1-CD2 4.12Å; L320-L383 HydrophobicContact CD1-CD1 3.86Å; L320-L383 HydrophobicContact CD2-CD1 4.35Å; L320-L383 HydrophobicContact CG-CD1 3.81Å; L322-L383 HydrophobicContact CD2-CD2 4.08Å; L322-L383 HydrophobicContact CD2-CG 3.91Å; L322-L383 HydrophobicContact CG-CG 4.41Å; V325-L383 HydrophobicContact CG2-CD1 3.82Å; Y360-L383 HydrophobicContact CE1-CB 4.17Å; A379-L383 WeakPolarHBondContact O-CB 3.25Å; A379-L383 PolarHBondContact O-N 3.33Å; L380-L383 PolarHBondContact O-N 3.2Å; L383-Y385 VanDerWaalsContact C-N 3.34Å; L383-Y385 PolarHBondContact O-N 3.21Å; L383-E386 PolarHBondContact O-N 2.84Å; L383-M387 HydrophobicContact CD2-CE 3.54Å; L383-M387 HydrophobicContact CD2-CG 4.09Å; L383-M387 HydrophobicContact CD2-SD 3.94Å; L383-M387 WeakPolarHBondContact O-CG 3.45Å; L383-M387 PolarHBondContact O-N 2.99Å |
| 384 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 172.9 | -76.4 | -174.5 | 77.3 | 0 | 0 | 112.5 | S300 L380 V382 E386 M387 M388 V433 L434 F437 F464 F465 | S300-M384 WeakPolarHBondContact OG-CG 3.19Å; L380-M384 HydrophobicContact CD1-CG 4.02Å; L380-M384 HydrophobicContact CD1-SD 4.37Å; L380-M384 HydrophobicContact CG-CG 4.22Å; L380-M384 HydrophobicContact CG-SD 4.1Å; L380-M384 VanDerWaalsContact O-CB 3.31Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 VanDerWaalsContact O-CG 3.22Å; L380-M384 WeakPolarHBondContact O-CG 3.3Å; L380-M384 PolarHBondContact O-N 3.42Å; V382-M384 PolarHBondContact O-N 3.06Å; M384-E386 VanDerWaalsContact C-N 3.35Å; M384-M387 HydrophobicContact CG-CE 4.15Å; M384-M388 HydrophobicContact CB-CE 4.03Å; M384-M388 HydrophobicContact CE-CE 4.19Å; M384-M388 VanDerWaalsContact O-CE 3.24Å; M384-M388 WeakPolarHBondContact O-CE 3.4Å; M384-M388 PolarHBondContact O-N 2.8Å; M384-M388 VanDerWaalsContact O-N 3.13Å; M384-V433 HydrophobicContact CE-CG1 3.7Å; M384-V433 HydrophobicContact CE-CG2 4.15Å; M384-L434 HydrophobicContact CB-CD2 3.71Å; M384-F437 HydrophobicContact SD-CD2 3.72Å; M384-F437 HydrophobicContact SD-CE2 3.63Å; M384-F464 HydrophobicContact CE-CD1 3.96Å; M384-F464 HydrophobicContact CE-CE1 3.54Å; M384-F464 HydrophobicContact CE-CZ 4.23Å; M384-F465 HydrophobicContact CE-CZ 3.86Å; M384-F465 HydrophobicContact SD-CZ 4.33Å |
| 385 | Y | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62 | -47 | 176.5 | -175.2 | -75.7 | 0 | 0 | 0 | 110 | G381 V382 L383 M387 M388 A389 R391 P393 I420 R421 I422 L434 L438 | G381-Y385 WeakPolarHBondContact O-CB 3.49Å; G381-Y385 PolarHBondContact O-N 2.57Å; V382-Y385 WeakPolarHBondContact O-CB 3.46Å; V382-Y385 PolarHBondContact O-N 3.28Å; V382-Y385 VanDerWaalsContact O-N 3.11Å; L383-Y385 VanDerWaalsContact C-N 3.34Å; L383-Y385 PolarHBondContact O-N 3.21Å; Y385-M387 PolarHBondContact O-N 2.89Å; Y385-M388 PolarHBondContact O-N 3.17Å; Y385-A389 HydrophobicContact CD1-CB 3.8Å; Y385-A389 HydrophobicContact CE1-CB 3.5Å; Y385-A389 VanDerWaalsContact CE1-CB 3.5Å; Y385-A389 HydrophobicContact CG-CB 4.48Å; Y385-A389 WeakPolarHBondContact O-CA 3.34Å; Y385-A389 WeakPolarHBondContact O-CB 3.38Å; Y385-A389 PolarHBondContact O-N 3.43Å; Y385-R391 VanDerWaalsContact CD1-O 3.28Å; Y385-R391 WeakPolarHBondContact CD1-O 3.19Å; Y385-R391 HydrophobicContact CE1-CG 4.45Å; Y385-R391 WeakPolarHBondContact CE1-O 3.31Å; Y385-P393 HydrophobicContact CD1-CB 3.7Å; Y385-P393 HydrophobicContact CD1-CG 4.1Å; Y385-P393 HydrophobicContact CD2-CB 3.88Å; Y385-P393 HydrophobicContact CE1-CB 3.86Å; Y385-P393 HydrophobicContact CE2-CB 4.03Å; Y385-P393 HydrophobicContact CG-CB 3.73Å; Y385-P393 HydrophobicContact CG-CG 4.15Å; Y385-I420 HydrophobicContact CD2-CG2 4.32Å; Y385-I420 HydrophobicContact CE2-CG2 4.03Å; Y385-R421 PolarHBondContact OH-O 3.03Å; Y385-I422 HydrophobicContact CD2-CD1 4.18Å; Y385-I422 HydrophobicContact CE2-CD1 4.11Å; Y385-L434 HydrophobicContact CD2-CD1 4.05Å; Y385-L438 HydrophobicContact CD2-CD1 4.44Å |
| 386 | E | 97.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 17.3 Ų | 17.3 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 179.3 | -72.8 | 175.9 | 146.5 | 0 | 0 | 111.9 | M285 L322 N359 Y360 V382 L383 M384 M388 G390 | M285-E386 WeakPolarHBondContact CE-O 3.44Å; L322-E386 HydrophobicContact CD1-CB 4.2Å; N359-E386 PolarHBondContact ND2-OE1 2.76Å; Y360-E386 WeakPolarHBondContact CE1-OE2 3.29Å; Y360-E386 PolarHBondContact OH-OE2 2.99Å; V382-E386 WeakPolarHBondContact O-CG 3.14Å; V382-E386 PolarHBondContact O-N 2.81Å; L383-E386 PolarHBondContact O-N 2.84Å; M384-E386 VanDerWaalsContact C-N 3.35Å; E386-M388 PolarHBondContact O-N 2.87Å; E386-G390 WeakPolarHBondContact O-CA 3.2Å; E386-G390 PolarHBondContact O-N 3.15Å |
| 387 | M | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.6 | -49.1 | 175.6 | -74.7 | -168.5 | -69.1 | 0 | 0 | 112.1 | L281 M285 L291 A296 Y299 S300 L322 L383 M384 Y385 | L281-M387 HydrophobicContact CD2-CG 4.3Å; L281-M387 HydrophobicContact CD2-SD 3.81Å; M285-M387 HydrophobicContact SD-CG 4.37Å; L291-M387 HydrophobicContact CD1-CB 4.13Å; L291-M387 HydrophobicContact CD1-CG 3.95Å; L291-M387 HydrophobicContact CD1-SD 3.99Å; L291-M387 PolarHBondContact N-O 3.29Å; A296-M387 HydrophobicContact CB-CB 4.01Å; A296-M387 HydrophobicContact CB-CE 4.15Å; A296-M387 HydrophobicContact CB-SD 4.33Å; Y299-M387 HydrophobicContact CD2-SD 4.17Å; S300-M387 VanDerWaalsContact OG-CE 3.31Å; S300-M387 WeakPolarHBondContact OG-CE 3.43Å; L322-M387 HydrophobicContact CD2-CG 4.45Å; L383-M387 HydrophobicContact CD2-CE 3.54Å; L383-M387 HydrophobicContact CD2-CG 4.09Å; L383-M387 HydrophobicContact CD2-SD 3.94Å; L383-M387 WeakPolarHBondContact O-CG 3.45Å; L383-M387 PolarHBondContact O-N 2.99Å; M384-M387 HydrophobicContact CG-CE 4.15Å; Y385-M387 PolarHBondContact O-N 2.89Å |
| 388 | M | 98.3 | Very high | 91 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -83.4 | -32.7 | -172.6 | -68.7 | -175 | -80.3 | 0 | 0 | 113.8 | E293 A296 M384 Y385 E386 L426 A430 L434 F464 | E293-M388 HydrophobicContact CG-SD 4.05Å; A296-M388 HydrophobicContact CB-CG 3.53Å; A296-M388 HydrophobicContact CB-SD 4.24Å; M384-M388 HydrophobicContact CB-CE 4.03Å; M384-M388 HydrophobicContact CE-CE 4.19Å; M384-M388 VanDerWaalsContact O-CE 3.24Å; M384-M388 WeakPolarHBondContact O-CE 3.4Å; M384-M388 PolarHBondContact O-N 2.8Å; M384-M388 VanDerWaalsContact O-N 3.13Å; Y385-M388 PolarHBondContact O-N 3.17Å; E386-M388 PolarHBondContact O-N 2.87Å; M388-L426 HydrophobicContact CB-CD1 4.11Å; M388-L426 HydrophobicContact CB-CD2 3.84Å; M388-A430 HydrophobicContact SD-CB 3.85Å; M388-L434 HydrophobicContact CE-CD1 3.82Å; M388-L434 HydrophobicContact CE-CD2 3.71Å; M388-L434 HydrophobicContact CE-CG 3.78Å; M388-F464 HydrophobicContact CE-CZ 4.49Å; M388-F464 HydrophobicContact SD-CE2 4.09Å; M388-F464 HydrophobicContact SD-CZ 3.97Å |
| 389 | A | 96.5 | Very high | 88.8 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -96.2 | -20.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y385 R391 P423 | Y385-A389 HydrophobicContact CD1-CB 3.8Å; Y385-A389 HydrophobicContact CE1-CB 3.5Å; Y385-A389 VanDerWaalsContact CE1-CB 3.5Å; Y385-A389 HydrophobicContact CG-CB 4.48Å; Y385-A389 WeakPolarHBondContact O-CA 3.34Å; Y385-A389 WeakPolarHBondContact O-CB 3.38Å; Y385-A389 PolarHBondContact O-N 3.43Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 HydrophobicContact CB-CG 4.48Å; A389-P423 HydrophobicContact CB-CG 3.95Å |
| 390 | G | 95.5 | Very high | 86.6 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 74.3 | 17.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R289 E386 | R289-G390 WeakPolarHBondContact O-CA 3.14Å; E386-G390 WeakPolarHBondContact O-CA 3.2Å; E386-G390 PolarHBondContact O-N 3.15Å |
| 391 | R | 94.3 | Very high | 84.3 | Confident | 106 Ų | 106 | 42.1 Ų | 42.1 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -159.7 | 165.5 | 179.7 | 63.2 | 171.7 | 179.8 | -97.5 | -2 | 111 | Y385 A389 | Y385-R391 VanDerWaalsContact CD1-O 3.28Å; Y385-R391 WeakPolarHBondContact CD1-O 3.19Å; Y385-R391 HydrophobicContact CE1-CG 4.45Å; Y385-R391 WeakPolarHBondContact CE1-O 3.31Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 HydrophobicContact CB-CG 4.48Å |
| 392 | S | 94.1 | Very high | 82.2 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | trans | -65 | 145.3 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | N359 F394 D395 | N359-S392 PolarHBondContact ND2-OG 3.42Å; N359-S392 PolarHBondContact OD1-OG 2.98Å; S392-F394 PolarHBondContact O-N 2.83Å; S392-F394 PolarHBondContact OG-N 2.9Å; S392-F394 VanDerWaalsContact OG-N 3.07Å; S392-D395 PolarHBondContact N-OD2 3.29Å; S392-D395 PolarHBondContact O-N 2.85Å | ||
| 393 | P | 94.8 | Very high | 80.1 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | 169.9 | 25.3 | -32.3 | 0 | 0 | 0 | 113.4 | V382 Y385 I420 | V382-P393 HydrophobicContact CB-CG 4.49Å; V382-P393 HydrophobicContact CG1-CG 4Å; V382-P393 HydrophobicContact CG2-CG 4.37Å; Y385-P393 HydrophobicContact CD1-CB 3.7Å; Y385-P393 HydrophobicContact CD1-CG 4.1Å; Y385-P393 HydrophobicContact CD2-CB 3.88Å; Y385-P393 HydrophobicContact CE1-CB 3.86Å; Y385-P393 HydrophobicContact CE2-CB 4.03Å; Y385-P393 HydrophobicContact CG-CB 3.73Å; Y385-P393 HydrophobicContact CG-CG 4.15Å; P393-I420 HydrophobicContact CB-CG2 3.83Å |
| 394 | F | 92.8 | Very high | 78.1 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 4% | 0.044 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -6.7 | -177.6 | -47.4 | -58.1 | 0 | 0 | 0 | 113 | N359 W378 V382 S392 I396 L411 I414 I415 I420 | N359-F394 VanDerWaalsContact O-CE2 3.22Å; N359-F394 WeakPolarHBondContact O-CE2 3.16Å; W378-F394 HydrophobicContact CH2-CZ 4.49Å; W378-F394 HydrophobicContact CZ2-CE1 4.19Å; W378-F394 AromaticContact CZ2-CZ 3.65Å; W378-F394 HydrophobicContact CZ2-CZ 3.65Å; V382-F394 HydrophobicContact CG1-CE2 4.23Å; V382-F394 HydrophobicContact CG2-CE2 3.85Å; V382-F394 HydrophobicContact CG2-CZ 4Å; S392-F394 PolarHBondContact O-N 2.83Å; S392-F394 PolarHBondContact OG-N 2.9Å; S392-F394 VanDerWaalsContact OG-N 3.07Å; F394-I396 PolarHBondContact O-N 3.35Å; F394-I396 VanDerWaalsContact O-N 3.14Å; F394-L411 HydrophobicContact CB-CD1 3.65Å; F394-L411 HydrophobicContact CD2-CD1 4.37Å; F394-L411 HydrophobicContact CG-CD1 4.23Å; F394-I414 HydrophobicContact CB-CG2 3.92Å; F394-I414 HydrophobicContact CD1-CG2 4.11Å; F394-I414 HydrophobicContact CG-CG2 4.45Å; F394-I415 HydrophobicContact CD1-CG1 3.81Å; F394-I415 HydrophobicContact CD2-CD1 4.28Å; F394-I415 HydrophobicContact CD2-CG1 3.87Å; F394-I415 HydrophobicContact CE1-CB 4.43Å; F394-I415 HydrophobicContact CE1-CG1 3.85Å; F394-I415 HydrophobicContact CE2-CD1 4.3Å; F394-I415 HydrophobicContact CE2-CG1 3.92Å; F394-I415 HydrophobicContact CG-CG1 3.84Å; F394-I415 HydrophobicContact CZ-CG1 3.92Å; F394-I420 HydrophobicContact CE1-CD1 3.83Å; F394-I420 HydrophobicContact CE1-CG1 4.12Å; F394-I420 HydrophobicContact CZ-CD1 4.33Å |
| 395 | D | 84.2 | Confident | 76 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 114.6 | 174.8 | -75.8 | -24.3 | 0 | 0 | 0 | 111 | S392 V397 | S392-D395 PolarHBondContact N-OD2 3.29Å; S392-D395 PolarHBondContact O-N 2.85Å; D395-V397 PolarHBondContact O-N 3.21Å; D395-V397 VanDerWaalsContact O-N 3.14Å | ||
| 396 | I | 69.3 | Low | 74.3 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 21% | 0.205 | 39% | 0.387 | C | S | . | . | trans | -83.4 | 92.9 | 174.2 | -48 | -171.6 | 0 | 0 | 0 | 109.2 | F394 G398 M399 Y410 I414 K418 | F394-I396 PolarHBondContact O-N 3.35Å; F394-I396 VanDerWaalsContact O-N 3.14Å; I396-G398 PolarHBondContact O-N 2.67Å; I396-G398 VanDerWaalsContact O-N 3.11Å; I396-M399 HydrophobicContact CB-CB 4.48Å; I396-M399 HydrophobicContact CG2-CB 4.05Å; I396-M399 HydrophobicContact CG2-CG 3.68Å; I396-M399 HydrophobicContact CG2-SD 3.72Å; I396-M399 PolarHBondContact O-N 2.85Å; I396-Y410 HydrophobicContact CD1-CE1 3.92Å; I396-Y410 WeakPolarHBondContact CD1-OH 3.5Å; I396-I414 HydrophobicContact CD1-CD1 3.47Å; I396-I414 VanDerWaalsContact CD1-CD1 3.47Å; I396-I414 HydrophobicContact CD1-CG1 3.97Å; I396-I414 HydrophobicContact CG1-CD1 3.84Å; I396-K418 VanDerWaalsContact CD1-NZ 3.29Å; I396-K418 VanDerWaalsContact CG1-NZ 3.3Å | ||
| 397 | V | 55.2 | Low | 73.3 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 117.2 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | D395 | D395-V397 PolarHBondContact O-N 3.21Å; D395-V397 VanDerWaalsContact O-N 3.14Å |
| 398 | G | 51.2 | Low | 72.5 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | 3.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | I396 | I396-G398 PolarHBondContact O-N 2.67Å; I396-G398 VanDerWaalsContact O-N 3.11Å |
| 399 | M | 52 | Low | 71.8 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | trans | -116 | 15.6 | -178.8 | -59.9 | -164.5 | 85.9 | 0 | 0 | 115.1 | I396 N401 Q405 | I396-M399 HydrophobicContact CB-CB 4.48Å; I396-M399 HydrophobicContact CG2-CB 4.05Å; I396-M399 HydrophobicContact CG2-CG 3.68Å; I396-M399 HydrophobicContact CG2-SD 3.72Å; I396-M399 PolarHBondContact O-N 2.85Å; M399-N401 PolarHBondContact O-N 3.05Å; M399-Q405 PolarHBondContact O-OE1 3.08Å; M399-Q405 VanDerWaalsContact O-OE1 3.04Å | ||
| 400 | A | 52.1 | Low | 71.2 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 401 | N | 50 | Low | 70.8 | Confident | 162 Ų | 162 | 81.2 Ų | 81.2 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 6.1 | -170.5 | -66.5 | -11.7 | 0 | 0 | 0 | 114.7 | M399 | M399-N401 PolarHBondContact O-N 3.05Š|
| 402 | A | 55.1 | Low | 70.6 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | trans | -113.6 | 122.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D404 Q405 | A402-D404 VanDerWaalsContact C-N 3.27Å; A402-D404 PolarHBondContact O-N 3.44Å; A402-Q405 HydrophobicContact CB-CG 3.96Å; A402-Q405 PolarHBondContact O-N 2.84Å | ||
| 403 | P | 55.6 | Low | 70.4 | Confident | 105 Ų | 105 | 81.5 Ų | 81.5 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -62.1 | -30.7 | -174.1 | 22.1 | -30.8 | 0 | 0 | 0 | 113.5 | Q405 | P403-Q405 PolarHBondContact O-N 3.19Š|
| 404 | D | 55.5 | Low | 70.2 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 68% | 0.684 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -71.7 | -14.5 | -178 | -47.3 | -23.6 | 0 | 0 | 0 | 113.1 | A402 T407 | A402-D404 VanDerWaalsContact C-N 3.27Å; A402-D404 PolarHBondContact O-N 3.44Å; D404-T407 PolarHBondContact O-OG1 2.95Å |
| 405 | Q | 55.6 | Low | 70.2 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 29% | 0.29 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -90.1 | 5 | -174.2 | -64.6 | 179.8 | -0.3 | 0 | 0 | 113.9 | M399 A402 P403 Y410 | M399-Q405 PolarHBondContact O-OE1 3.08Å; M399-Q405 VanDerWaalsContact O-OE1 3.04Å; A402-Q405 HydrophobicContact CB-CG 3.96Å; A402-Q405 PolarHBondContact O-N 2.84Å; P403-Q405 PolarHBondContact O-N 3.19Å; Q405-Y410 HydrophobicContact CB-CD1 3.94Å; Q405-Y410 HydrophobicContact CB-CE1 3.86Å; Q405-Y410 HydrophobicContact CG-CD1 4.27Å; Q405-Y410 HydrophobicContact CG-CE1 3.93Å; Q405-Y410 WeakPolarHBondContact O-CD1 3.32Å |
| 406 | Q | 61.9 | Low | 70.6 | Confident | 167 Ų | 167 | 79.1 Ų | 79.1 | 78% | 0.78 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -99.6 | 9.6 | 173.6 | -67.1 | -176.2 | -3.8 | 0 | 0 | 113.2 | ||
| 407 | T | 77.5 | Confident | 71.6 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -82.9 | 149.5 | -179.9 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | D404 D409 Y410 L411 | D404-T407 PolarHBondContact O-OG1 2.95Å; T407-D409 VanDerWaalsContact C-N 3.28Å; T407-D409 PolarHBondContact O-N 3.13Å; T407-Y410 PolarHBondContact O-N 3.29Å; T407-Y410 WeakPolarHBondContact OG1-CB 3.49Å; T407-Y410 PolarHBondContact OG1-N 3.19Å; T407-L411 PolarHBondContact O-N 3.24Å |
| 408 | E | 81.6 | Confident | 73.3 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.6 | -36.4 | 174.5 | -68.4 | -178.5 | 170.8 | 0 | 0 | 111.7 | P358 Y410 L411 F412 | P358-E408 HydrophobicContact CG-CG 4.49Å; E408-Y410 VanDerWaalsContact C-N 3.32Å; E408-Y410 PolarHBondContact O-N 3.02Å; E408-L411 WeakPolarHBondContact O-CB 3.44Å; E408-L411 PolarHBondContact O-N 3.3Å; E408-L411 VanDerWaalsContact O-N 3.16Å; E408-F412 HydrophobicContact CB-CE2 4Å; E408-F412 HydrophobicContact CB-CZ 4.01Å; E408-F412 WeakPolarHBondContact O-CD2 3.36Å; E408-F412 WeakPolarHBondContact O-CG 3.28Å; E408-F412 PolarHBondContact O-N 3.2Å |
| 409 | D | 82.6 | Confident | 75.3 | Confident | 127 Ų | 127 | 83.7 Ų | 83.7 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 178.4 | -68.6 | -37.9 | 0 | 0 | 0 | 112.1 | T407 F412 Q413 | T407-D409 VanDerWaalsContact C-N 3.28Å; T407-D409 PolarHBondContact O-N 3.13Å; D409-F412 PolarHBondContact O-N 2.93Å; D409-Q413 PolarHBondContact O-N 3.39Å |
| 410 | Y | 83.4 | Confident | 77.3 | Confident | 62 Ų | 62 | 81 Ų | 81 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 174.5 | -173.7 | -115.6 | 0 | 0 | 0 | 111.8 | I396 Q405 T407 E408 F412 Q413 I414 | I396-Y410 HydrophobicContact CD1-CE1 3.92Å; I396-Y410 WeakPolarHBondContact CD1-OH 3.5Å; Q405-Y410 HydrophobicContact CB-CD1 3.94Å; Q405-Y410 HydrophobicContact CB-CE1 3.86Å; Q405-Y410 HydrophobicContact CG-CD1 4.27Å; Q405-Y410 HydrophobicContact CG-CE1 3.93Å; Q405-Y410 WeakPolarHBondContact O-CD1 3.32Å; T407-Y410 PolarHBondContact O-N 3.29Å; T407-Y410 WeakPolarHBondContact OG1-CB 3.49Å; T407-Y410 PolarHBondContact OG1-N 3.19Å; E408-Y410 VanDerWaalsContact C-N 3.32Å; E408-Y410 PolarHBondContact O-N 3.02Å; Y410-F412 VanDerWaalsContact C-N 3.34Å; Y410-F412 PolarHBondContact O-N 2.87Å; Y410-Q413 PolarHBondContact O-N 3.08Å; Y410-I414 HydrophobicContact CD1-CD1 3.76Å; Y410-I414 HydrophobicContact CD1-CG1 4.5Å; Y410-I414 HydrophobicContact CE1-CD1 3.55Å; Y410-I414 HydrophobicContact CE1-CG1 4.25Å; Y410-I414 WeakPolarHBondContact O-CG1 3.24Å; Y410-I414 PolarHBondContact O-N 3.16Å |
| 411 | L | 87.9 | Confident | 79.3 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 19% | 0.188 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 173 | 173.8 | 62.3 | 0 | 0 | 0 | 111.3 | P358 F394 T407 E408 Q413 I414 I415 | P358-L411 HydrophobicContact CB-CD2 3.95Å; F394-L411 HydrophobicContact CB-CD1 3.65Å; F394-L411 HydrophobicContact CD2-CD1 4.37Å; F394-L411 HydrophobicContact CG-CD1 4.23Å; T407-L411 PolarHBondContact O-N 3.24Å; E408-L411 WeakPolarHBondContact O-CB 3.44Å; E408-L411 PolarHBondContact O-N 3.3Å; E408-L411 VanDerWaalsContact O-N 3.16Å; L411-Q413 VanDerWaalsContact C-N 3.32Å; L411-Q413 PolarHBondContact O-N 3.09Å; L411-I414 WeakPolarHBondContact O-CB 3.47Å; L411-I414 PolarHBondContact O-N 2.79Å; L411-I414 VanDerWaalsContact O-N 3.14Å; L411-I415 HydrophobicContact CD1-CD1 4.11Å; L411-I415 HydrophobicContact CD1-CG1 4.28Å; L411-I415 HydrophobicContact CG-CD1 3.97Å; L411-I415 WeakPolarHBondContact O-CG1 3.44Å; L411-I415 PolarHBondContact O-N 3.07Å |
| 412 | F | 90.6 | Very high | 81.5 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.4 | -61.3 | -24.9 | 0 | 0 | 0 | 112 | F354 P358 I361 L366 E408 D409 Y410 I414 I415 L416 | F354-F412 HydrophobicContact CZ-CE2 4.28Å; F354-F412 HydrophobicContact CZ-CZ 4.3Å; P358-F412 HydrophobicContact CB-CE1 3.91Å; P358-F412 HydrophobicContact CB-CZ 4.32Å; I361-F412 HydrophobicContact CD1-CE1 4.16Å; I361-F412 HydrophobicContact CD1-CZ 4.4Å; L366-F412 HydrophobicContact CD1-CB 3.96Å; L366-F412 HydrophobicContact CD1-CD1 4.04Å; L366-F412 HydrophobicContact CD1-CG 4.27Å; L366-F412 HydrophobicContact CD2-CB 4.12Å; L366-F412 HydrophobicContact CD2-CD1 3.53Å; L366-F412 HydrophobicContact CD2-CD2 4.21Å; L366-F412 HydrophobicContact CD2-CE1 3.95Å; L366-F412 HydrophobicContact CD2-CG 3.69Å; L366-F412 HydrophobicContact CD2-CZ 4.46Å; L366-F412 HydrophobicContact CG-CD1 4.46Å; E408-F412 HydrophobicContact CB-CE2 4Å; E408-F412 HydrophobicContact CB-CZ 4.01Å; E408-F412 WeakPolarHBondContact O-CD2 3.36Å; E408-F412 WeakPolarHBondContact O-CG 3.28Å; E408-F412 PolarHBondContact O-N 3.2Å; D409-F412 PolarHBondContact O-N 2.93Å; Y410-F412 VanDerWaalsContact C-N 3.34Å; Y410-F412 PolarHBondContact O-N 2.87Å; F412-I414 PolarHBondContact O-N 3.4Å; F412-I415 HydrophobicContact CD1-CD1 4.46Å; F412-I415 PolarHBondContact O-N 2.72Å; F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 WeakPolarHBondContact O-CG 3.38Å; F412-L416 PolarHBondContact O-N 3.05Å |
| 413 | Q | 89.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 80 Ų | 80 | 43% | 0.425 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.2 | -169.8 | -178.3 | -4 | 0 | 0 | 111.8 | D409 Y410 L411 I415 L416 E417 | D409-Q413 PolarHBondContact O-N 3.39Å; Y410-Q413 PolarHBondContact O-N 3.08Å; L411-Q413 VanDerWaalsContact C-N 3.32Å; L411-Q413 PolarHBondContact O-N 3.09Å; Q413-I415 PolarHBondContact O-N 3.46Å; Q413-L416 PolarHBondContact O-N 2.98Å; Q413-E417 HydrophobicContact CG-CG 4.31Å; Q413-E417 WeakPolarHBondContact CG-OE2 3.36Å; Q413-E417 PolarHBondContact NE2-OE2 3.11Å; Q413-E417 WeakPolarHBondContact O-CB 3.14Å; Q413-E417 PolarHBondContact O-N 3.46Å |
| 414 | I | 91.1 | Very high | 85.3 | Confident | 16 Ų | 16 | 87.3 Ų | 87.3 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.4 | -67.9 | 164.3 | 0 | 0 | 0 | 110.9 | F394 I396 Y410 L411 F412 L416 K418 | F394-I414 HydrophobicContact CB-CG2 3.92Å; F394-I414 HydrophobicContact CD1-CG2 4.11Å; F394-I414 HydrophobicContact CG-CG2 4.45Å; I396-I414 HydrophobicContact CD1-CD1 3.47Å; I396-I414 VanDerWaalsContact CD1-CD1 3.47Å; I396-I414 HydrophobicContact CD1-CG1 3.97Å; I396-I414 HydrophobicContact CG1-CD1 3.84Å; Y410-I414 HydrophobicContact CD1-CD1 3.76Å; Y410-I414 HydrophobicContact CD1-CG1 4.5Å; Y410-I414 HydrophobicContact CE1-CD1 3.55Å; Y410-I414 HydrophobicContact CE1-CG1 4.25Å; Y410-I414 WeakPolarHBondContact O-CG1 3.24Å; Y410-I414 PolarHBondContact O-N 3.16Å; L411-I414 WeakPolarHBondContact O-CB 3.47Å; L411-I414 PolarHBondContact O-N 2.79Å; L411-I414 VanDerWaalsContact O-N 3.14Å; F412-I414 PolarHBondContact O-N 3.4Å; I414-L416 VanDerWaalsContact C-N 3.29Å; I414-L416 PolarHBondContact O-N 3.29Å; I414-K418 HydrophobicContact CG2-CB 4.01Å; I414-K418 HydrophobicContact CG2-CD 4.01Å; I414-K418 VanDerWaalsContact O-CB 3.23Å; I414-K418 WeakPolarHBondContact O-CB 3.3Å; I414-K418 PolarHBondContact O-N 2.87Å |
| 415 | I | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 179.7 | -70 | 167.9 | 0 | 0 | 0 | 110.6 | P358 P363 L366 W378 F394 L411 F412 Q413 K440 | P358-I415 WeakPolarHBondContact O-CD1 3.3Å; P363-I415 HydrophobicContact CG-CG2 4.17Å; L366-I415 HydrophobicContact CD1-CB 3.78Å; L366-I415 HydrophobicContact CD1-CD1 4.23Å; L366-I415 HydrophobicContact CD1-CG2 3.54Å; W378-I415 HydrophobicContact CZ2-CG2 3.96Å; F394-I415 HydrophobicContact CD1-CG1 3.81Å; F394-I415 HydrophobicContact CD2-CD1 4.28Å; F394-I415 HydrophobicContact CD2-CG1 3.87Å; F394-I415 HydrophobicContact CE1-CB 4.43Å; F394-I415 HydrophobicContact CE1-CG1 3.85Å; F394-I415 HydrophobicContact CE2-CD1 4.3Å; F394-I415 HydrophobicContact CE2-CG1 3.92Å; F394-I415 HydrophobicContact CG-CG1 3.84Å; F394-I415 HydrophobicContact CZ-CG1 3.92Å; L411-I415 HydrophobicContact CD1-CD1 4.11Å; L411-I415 HydrophobicContact CD1-CG1 4.28Å; L411-I415 HydrophobicContact CG-CD1 3.97Å; L411-I415 WeakPolarHBondContact O-CG1 3.44Å; L411-I415 PolarHBondContact O-N 3.07Å; F412-I415 HydrophobicContact CD1-CD1 4.46Å; F412-I415 PolarHBondContact O-N 2.72Å; Q413-I415 PolarHBondContact O-N 3.46Å; I415-K440 WeakPolarHBondContact O-CE 3.4Å |
| 416 | L | 92.7 | Very high | 89.2 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73 | -44.9 | -178.3 | -73.6 | 171.9 | 0 | 0 | 0 | 113.3 | P363 L366 R367 F412 Q413 I414 K440 | P363-L416 HydrophobicContact CB-CD2 4.2Å; L366-L416 HydrophobicContact CB-CD1 4.15Å; L366-L416 HydrophobicContact CB-CD2 3.88Å; L366-L416 HydrophobicContact CB-CG 4.09Å; L366-L416 HydrophobicContact CD1-CD2 4.47Å; L366-L416 HydrophobicContact CD1-CG 4.11Å; R367-L416 HydrophobicContact CG-CD2 3.67Å; F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 WeakPolarHBondContact O-CG 3.38Å; F412-L416 PolarHBondContact O-N 3.05Å; Q413-L416 PolarHBondContact O-N 2.98Å; I414-L416 VanDerWaalsContact C-N 3.29Å; I414-L416 PolarHBondContact O-N 3.29Å; L416-K440 VanDerWaalsContact O-CD 3.25Å; L416-K440 WeakPolarHBondContact O-CD 3.48Å; L416-K440 WeakPolarHBondContact O-CE 3.31Å |
| 417 | E | 90.8 | Very high | 90.9 | Very high | 134 Ų | 134 | 77.8 Ų | 77.8 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -104.9 | -37.3 | -163.8 | -62 | 179.6 | 171.2 | 0 | 0 | 113 | Q413 | Q413-E417 HydrophobicContact CG-CG 4.31Å; Q413-E417 WeakPolarHBondContact CG-OE2 3.36Å; Q413-E417 PolarHBondContact NE2-OE2 3.11Å; Q413-E417 WeakPolarHBondContact O-CB 3.14Å; Q413-E417 PolarHBondContact O-N 3.46Å |
| 418 | K | 90.9 | Very high | 91.9 | Very high | 86 Ų | 86 | 80.7 Ų | 80.7 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 135.5 | -166.1 | -161.1 | 173.5 | -174.9 | 173.8 | 0 | 112 | I396 I414 I420 K440 | I396-K418 VanDerWaalsContact CD1-NZ 3.29Å; I396-K418 VanDerWaalsContact CG1-NZ 3.3Å; I414-K418 HydrophobicContact CG2-CB 4.01Å; I414-K418 HydrophobicContact CG2-CD 4.01Å; I414-K418 VanDerWaalsContact O-CB 3.23Å; I414-K418 WeakPolarHBondContact O-CB 3.3Å; I414-K418 PolarHBondContact O-N 2.87Å; K418-I420 PolarHBondContact O-N 3.45Å; K418-K440 PolarHBondContact O-NZ 2.78Å |
| 419 | T | 92.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 80.1 Ų | 80.1 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 127 | 172.2 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | R421 | T419-R421 PolarHBondContact O-N 3.02Š|
| 420 | I | 94.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 74 Ų | 74 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 125.3 | 179.8 | -62.2 | 167.4 | 0 | 0 | 0 | 108.5 | W378 Y385 P393 F394 K418 I422 L438 | W378-I420 HydrophobicContact CH2-CD1 4.23Å; Y385-I420 HydrophobicContact CD2-CG2 4.32Å; Y385-I420 HydrophobicContact CE2-CG2 4.03Å; P393-I420 HydrophobicContact CB-CG2 3.83Å; F394-I420 HydrophobicContact CE1-CD1 3.83Å; F394-I420 HydrophobicContact CE1-CG1 4.12Å; F394-I420 HydrophobicContact CZ-CD1 4.33Å; K418-I420 PolarHBondContact O-N 3.45Å; I420-I422 HydrophobicContact CG2-CD1 4.2Å; I420-L438 HydrophobicContact CD1-CB 3.79Å; I420-L438 HydrophobicContact CD1-CD1 3.97Å; I420-L438 HydrophobicContact CD1-CD2 4.27Å; I420-L438 HydrophobicContact CD1-CG 4.24Å; I420-L438 HydrophobicContact CG2-CD1 4.3Å |
| 421 | R | 93.8 | Very high | 94.2 | Very high | 206 Ų | 206 | 72 Ų | 72 | 78% | 0.777 | 35% | 0.354 | S | S | * | . | trans | -98.5 | 109.2 | -179.1 | -68.1 | -175.6 | 178.9 | 178.7 | -0.1 | 110.2 | Y385 T419 | Y385-R421 PolarHBondContact OH-O 3.03Å; T419-R421 PolarHBondContact O-N 3.02Å | ||
| 422 | I | 96.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | trans | -71 | 129.8 | 175.9 | -49.7 | -54.9 | 0 | 0 | 0 | 110.2 | Y385 I420 L426 A431 L434 K435 | Y385-I422 HydrophobicContact CD2-CD1 4.18Å; Y385-I422 HydrophobicContact CE2-CD1 4.11Å; I420-I422 HydrophobicContact CG2-CD1 4.2Å; I422-L426 HydrophobicContact CG2-CB 4.33Å; I422-L426 HydrophobicContact CG2-CD1 3.91Å; I422-A431 HydrophobicContact CB-CB 4.41Å; I422-A431 HydrophobicContact CG2-CB 3.8Å; I422-L434 HydrophobicContact CD1-CB 3.8Å; I422-L434 HydrophobicContact CD1-CD1 4.03Å; I422-L434 HydrophobicContact CG2-CD1 4.25Å; I422-K435 HydrophobicContact CG1-CG 4.34Å | ||
| 423 | P | 95.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 71.6 Ų | 71.6 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | trans | -57.8 | 137.1 | 175.9 | -23.9 | 32.6 | 0 | 0 | 0 | 112.6 | A389 S425 L426 | A389-P423 HydrophobicContact CB-CG 3.95Å; P423-S425 PolarHBondContact O-N 3.42Å; P423-S425 VanDerWaalsContact O-N 3.11Å; P423-L426 HydrophobicContact CB-CG 4.34Å; P423-L426 HydrophobicContact CG-CD1 4.41Å; P423-L426 PolarHBondContact O-N 3.3Å; P423-L426 VanDerWaalsContact O-N 3.09Å | ||
| 424 | R | 95 | Very high | 95.6 | Very high | 258 Ų | 258 | 67.3 Ų | 67.3 | 97% | 0.974 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.9 | 178.2 | -63.4 | -176.3 | -175.1 | 176.9 | 0.9 | 113.9 | L426 | R424-L426 VanDerWaalsContact C-N 3.27Š|
| 425 | S | 95.7 | Very high | 95.9 | Very high | 94 Ų | 94 | 73.3 Ų | 73.3 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.6 | 176.2 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | P423 | P423-S425 PolarHBondContact O-N 3.42Å; P423-S425 VanDerWaalsContact O-N 3.11Å |
| 426 | L | 97.8 | Very high | 96.2 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -84.7 | 146.5 | 178.4 | -60.2 | -174.4 | 0 | 0 | 0 | 110.8 | E293 M388 I422 P423 R424 A430 L434 | E293-L426 WeakPolarHBondContact OE1-CA 3.37Å; M388-L426 HydrophobicContact CB-CD1 4.11Å; M388-L426 HydrophobicContact CB-CD2 3.84Å; I422-L426 HydrophobicContact CG2-CB 4.33Å; I422-L426 HydrophobicContact CG2-CD1 3.91Å; P423-L426 HydrophobicContact CB-CG 4.34Å; P423-L426 HydrophobicContact CG-CD1 4.41Å; P423-L426 PolarHBondContact O-N 3.3Å; P423-L426 VanDerWaalsContact O-N 3.09Å; R424-L426 VanDerWaalsContact C-N 3.27Å; L426-A430 HydrophobicContact CB-CB 4.08Å; L426-L434 HydrophobicContact CD1-CD1 3.78Å |
| 427 | S | 98.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | trans | -63 | 158.6 | 177.4 | 78 | 0 | 0 | 0 | 0 | 111.5 | E293 K429 A430 A431 | E293-S427 WeakPolarHBondContact OE1-CB 3.13Å; E293-S427 PolarHBondContact OE1-N 3.49Å; E293-S427 PolarHBondContact OE1-OG 3.31Å; E293-S427 VanDerWaalsContact OE2-CB 3.29Å; E293-S427 WeakPolarHBondContact OE2-CB 3.24Å; E293-S427 PolarHBondContact OE2-OG 3.4Å; S427-K429 PolarHBondContact O-N 3.27Å; S427-K429 PolarHBondContact OG-N 2.96Å; S427-A430 PolarHBondContact O-N 3.44Å; S427-A430 VanDerWaalsContact O-N 3.16Å; S427-A430 PolarHBondContact OG-N 3.27Å; S427-A430 VanDerWaalsContact OG-N 3.09Å; S427-A431 WeakPolarHBondContact O-CB 3.48Å; S427-A431 PolarHBondContact O-N 3.28Å | ||
| 428 | V | 98.4 | Very high | 96.8 | Very high | 130 Ų | 130 | 66 Ų | 66 | 79% | 0.788 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.4 | -34.6 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | S432 | V428-S432 WeakPolarHBondContact O-CB 3.22Å; V428-S432 PolarHBondContact O-N 3.46Å |
| 429 | K | 98.4 | Very high | 97.2 | Very high | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 178 | -62.1 | 174.8 | -178.4 | 179 | 0 | 111.5 | S427 S432 V433 P463 F464 | S427-K429 PolarHBondContact O-N 3.27Å; S427-K429 PolarHBondContact OG-N 2.96Å; K429-S432 WeakPolarHBondContact O-CB 3.21Å; K429-S432 PolarHBondContact O-N 3.04Å; K429-V433 PolarHBondContact O-N 3.35Å; K429-P463 HydrophobicContact CG-CB 4.34Å; K429-F464 HydrophobicContact CB-CB 4.38Å; K429-F464 HydrophobicContact CB-CD2 4.27Å |
| 430 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E293 M388 L426 S427 S432 V433 L434 F464 | E293-A430 HydrophobicContact CG-CB 4.36Å; M388-A430 HydrophobicContact SD-CB 3.85Å; L426-A430 HydrophobicContact CB-CB 4.08Å; S427-A430 PolarHBondContact O-N 3.44Å; S427-A430 VanDerWaalsContact O-N 3.16Å; S427-A430 PolarHBondContact OG-N 3.27Å; S427-A430 VanDerWaalsContact OG-N 3.09Å; A430-S432 VanDerWaalsContact C-N 3.3Å; A430-S432 PolarHBondContact O-N 3.34Å; A430-V433 VanDerWaalsContact O-CG1 3.32Å; A430-V433 WeakPolarHBondContact O-CG1 3.14Å; A430-V433 PolarHBondContact O-N 3.47Å; A430-L434 WeakPolarHBondContact O-CB 3.49Å; A430-L434 VanDerWaalsContact O-CG 3.27Å; A430-L434 WeakPolarHBondContact O-CG 3.38Å; A430-L434 PolarHBondContact O-N 3.32Å; A430-L434 VanDerWaalsContact O-N 3.08Å; A430-F464 HydrophobicContact CB-CD2 4.11Å; A430-F464 HydrophobicContact CB-CE2 3.86Å |
| 431 | A | 98.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I422 S427 K435 | I422-A431 HydrophobicContact CB-CB 4.41Å; I422-A431 HydrophobicContact CG2-CB 3.8Å; S427-A431 WeakPolarHBondContact O-CB 3.48Å; S427-A431 PolarHBondContact O-N 3.28Å; A431-K435 WeakPolarHBondContact O-CB 3.2Å; A431-K435 VanDerWaalsContact O-CG 3.24Å; A431-K435 WeakPolarHBondContact O-CG 3.45Å; A431-K435 PolarHBondContact O-N 3.33Å; A431-K435 VanDerWaalsContact O-N 3.11Å |
| 432 | S | 98.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | V428 K429 A430 L434 K435 G436 H462 | V428-S432 WeakPolarHBondContact O-CB 3.22Å; V428-S432 PolarHBondContact O-N 3.46Å; K429-S432 WeakPolarHBondContact O-CB 3.21Å; K429-S432 PolarHBondContact O-N 3.04Å; A430-S432 VanDerWaalsContact C-N 3.3Å; A430-S432 PolarHBondContact O-N 3.34Å; S432-L434 PolarHBondContact O-N 3.2Å; S432-K435 PolarHBondContact O-N 3.24Å; S432-G436 PolarHBondContact O-N 3.39Å; S432-H462 PolarHBondContact OG-NE2 2.92Å |
| 433 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | -177.1 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | M384 K429 A430 K435 G436 F437 L446 H462 F464 F465 | M384-V433 HydrophobicContact CE-CG1 3.7Å; M384-V433 HydrophobicContact CE-CG2 4.15Å; K429-V433 PolarHBondContact O-N 3.35Å; A430-V433 VanDerWaalsContact O-CG1 3.32Å; A430-V433 WeakPolarHBondContact O-CG1 3.14Å; A430-V433 PolarHBondContact O-N 3.47Å; V433-K435 PolarHBondContact O-N 2.94Å; V433-G436 PolarHBondContact O-N 2.88Å; V433-G436 VanDerWaalsContact O-N 3.16Å; V433-F437 HydrophobicContact CG2-CD2 3.84Å; V433-F437 HydrophobicContact CG2-CE2 3.65Å; V433-F437 PolarHBondContact O-N 2.8Å; V433-L446 HydrophobicContact CG2-CD2 3.94Å; V433-H462 WeakPolarHBondContact CA-CE1 3.14Å; V433-H462 WeakPolarHBondContact CB-CE1 3.12Å; V433-H462 PolarHBondContact N-CE1 3.31Å; V433-F464 HydrophobicContact CB-CB 3.81Å; V433-F464 HydrophobicContact CB-CD1 4.4Å; V433-F464 HydrophobicContact CB-CG 4.11Å; V433-F464 HydrophobicContact CG1-CB 3.92Å; V433-F464 HydrophobicContact CG1-CD1 3.86Å; V433-F464 HydrophobicContact CG1-CD2 4.01Å; V433-F464 HydrophobicContact CG1-CE1 4.36Å; V433-F464 HydrophobicContact CG1-CG 3.65Å; V433-F464 HydrophobicContact CG2-CB 4.28Å; V433-F464 HydrophobicContact CG2-CD1 4.43Å; V433-F465 HydrophobicContact CG2-CD2 4.49Å; V433-F465 HydrophobicContact CG2-CE2 3.73Å; V433-F465 HydrophobicContact CG2-CZ 4.35Å |
| 434 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.8 | -71.3 | 175.4 | 0 | 0 | 0 | 111.5 | M384 Y385 M388 I422 L426 A430 S432 G436 L438 | M384-L434 HydrophobicContact CB-CD2 3.71Å; Y385-L434 HydrophobicContact CD2-CD1 4.05Å; M388-L434 HydrophobicContact CE-CD1 3.82Å; M388-L434 HydrophobicContact CE-CD2 3.71Å; M388-L434 HydrophobicContact CE-CG 3.78Å; I422-L434 HydrophobicContact CD1-CB 3.8Å; I422-L434 HydrophobicContact CD1-CD1 4.03Å; I422-L434 HydrophobicContact CG2-CD1 4.25Å; L426-L434 HydrophobicContact CD1-CD1 3.78Å; A430-L434 WeakPolarHBondContact O-CB 3.49Å; A430-L434 VanDerWaalsContact O-CG 3.27Å; A430-L434 WeakPolarHBondContact O-CG 3.38Å; A430-L434 PolarHBondContact O-N 3.32Å; A430-L434 VanDerWaalsContact O-N 3.08Å; S432-L434 PolarHBondContact O-N 3.2Å; L434-G436 VanDerWaalsContact C-N 3.3Å; L434-G436 PolarHBondContact O-N 3.31Å; L434-L438 HydrophobicContact CB-CD1 4.47Å; L434-L438 WeakPolarHBondContact O-CB 3.46Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.49Å; L434-L438 PolarHBondContact O-N 2.68Å |
| 435 | K | 98.3 | Very high | 97.9 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.9 | -35.7 | 175.2 | -75.2 | 175.1 | -178.3 | -177.2 | 0 | 112.5 | I422 A431 S432 V433 N439 | I422-K435 HydrophobicContact CG1-CG 4.34Å; A431-K435 WeakPolarHBondContact O-CB 3.2Å; A431-K435 VanDerWaalsContact O-CG 3.24Å; A431-K435 WeakPolarHBondContact O-CG 3.45Å; A431-K435 PolarHBondContact O-N 3.33Å; A431-K435 VanDerWaalsContact O-N 3.11Å; S432-K435 PolarHBondContact O-N 3.24Å; V433-K435 PolarHBondContact O-N 2.94Å; K435-N439 PolarHBondContact O-N 3.28Å |
| 436 | G | 98.5 | Very high | 98 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -53 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S432 V433 L434 R445 L446 | S432-G436 PolarHBondContact O-N 3.39Å; V433-G436 PolarHBondContact O-N 2.88Å; V433-G436 VanDerWaalsContact O-N 3.16Å; L434-G436 VanDerWaalsContact C-N 3.3Å; L434-G436 PolarHBondContact O-N 3.31Å; G436-R445 WeakPolarHBondContact O-CG 3.47Å; G436-L446 PolarHBondContact O-N 2.74Å |
| 437 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 179 | -74.9 | -52.2 | 0 | 0 | 0 | 113.3 | W377 L380 M384 V433 N439 R445 L446 I459 F465 | W377-F437 HydrophobicContact CB-CD1 4.02Å; W377-F437 HydrophobicContact CB-CE1 4.24Å; W377-F437 HydrophobicContact CD2-CE1 4.34Å; W377-F437 AromaticContact CE3-CE1 3.88Å; W377-F437 HydrophobicContact CE3-CE1 3.88Å; W377-F437 HydrophobicContact CE3-CZ 4.44Å; W377-F437 WeakPolarHBondContact O-CD1 3.42Å; L380-F437 HydrophobicContact CD2-CE1 4.22Å; L380-F437 HydrophobicContact CD2-CE2 4Å; L380-F437 HydrophobicContact CD2-CZ 3.77Å; L380-F437 HydrophobicContact CG-CE2 4.48Å; M384-F437 HydrophobicContact SD-CD2 3.72Å; M384-F437 HydrophobicContact SD-CE2 3.63Å; V433-F437 HydrophobicContact CG2-CD2 3.84Å; V433-F437 HydrophobicContact CG2-CE2 3.65Å; V433-F437 PolarHBondContact O-N 2.8Å; F437-N439 PolarHBondContact O-N 3.22Å; F437-R445 WeakPolarHBondContact O-CD 3.26Å; F437-R445 WeakPolarHBondContact O-CG 3.24Å; F437-R445 PolarHBondContact O-NE 3.21Å; F437-L446 HydrophobicContact CD1-CB 3.97Å; F437-L446 HydrophobicContact CD1-CD2 4.31Å; F437-L446 HydrophobicContact CD1-CG 4.31Å; F437-L446 WeakPolarHBondContact CD1-O 3.2Å; F437-L446 HydrophobicContact CD2-CD2 4.27Å; F437-L446 HydrophobicContact CE1-CB 4.16Å; F437-L446 HydrophobicContact CE1-CD2 4.04Å; F437-L446 HydrophobicContact CE1-CG 4.02Å; F437-L446 HydrophobicContact CE2-CD2 4Å; F437-L446 HydrophobicContact CG-CB 4.46Å; F437-L446 HydrophobicContact CG-CD2 4.41Å; F437-L446 HydrophobicContact CZ-CD2 3.88Å; F437-L446 HydrophobicContact CZ-CG 4.3Å; F437-I459 HydrophobicContact CE1-CD1 4Å; F437-I459 HydrophobicContact CE1-CG1 4Å; F437-I459 HydrophobicContact CZ-CD1 4.2Å; F437-I459 HydrophobicContact CZ-CG1 3.99Å; F437-I459 HydrophobicContact CZ-CG2 4.08Å; F437-F465 HydrophobicContact CE2-CE2 4.25Å |
| 438 | L | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 26 | -179.6 | -59.4 | 168.8 | 0 | 0 | 0 | 112.8 | W378 V382 Y385 I420 L434 K440 | W378-L438 HydrophobicContact CD2-CD2 4.22Å; W378-L438 HydrophobicContact CE3-CD2 4.24Å; W378-L438 HydrophobicContact CH2-CD2 4.41Å; W378-L438 HydrophobicContact CZ2-CD2 4.37Å; W378-L438 HydrophobicContact CZ3-CB 4.26Å; W378-L438 HydrophobicContact CZ3-CD2 4.35Å; W378-L438 WeakPolarHBondContact CZ3-O 3.38Å; V382-L438 HydrophobicContact CG2-CD2 3.68Å; Y385-L438 HydrophobicContact CD2-CD1 4.44Å; I420-L438 HydrophobicContact CD1-CB 3.79Å; I420-L438 HydrophobicContact CD1-CD1 3.97Å; I420-L438 HydrophobicContact CD1-CD2 4.27Å; I420-L438 HydrophobicContact CD1-CG 4.24Å; I420-L438 HydrophobicContact CG2-CD1 4.3Å; L434-L438 HydrophobicContact CB-CD1 4.47Å; L434-L438 WeakPolarHBondContact O-CB 3.46Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.49Å; L434-L438 PolarHBondContact O-N 2.68Å; L438-K440 PolarHBondContact O-N 3.04Å |
| 439 | N | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | trans | -70.9 | 126.5 | 168.6 | -165.7 | -24.5 | 0 | 0 | 0 | 109.4 | K435 F437 N441 E444 R445 | K435-N439 PolarHBondContact O-N 3.28Å; F437-N439 PolarHBondContact O-N 3.22Å; N439-N441 PolarHBondContact O-N 3.31Å; N439-N441 PolarHBondContact OD1-N 3.39Å; N439-E444 WeakPolarHBondContact ND2-CB 3.42Å; N439-E444 PolarHBondContact ND2-O 3.01Å; N439-E444 PolarHBondContact ND2-OE2 2.85Å; N439-R445 HydrophobicContact CB-CB 4.28Å; N439-R445 PolarHBondContact O-NE 3.22Å; N439-R445 PolarHBondContact O-NH2 2.89Å | ||
| 440 | K | 97.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -72.8 | -16.6 | -179.1 | -66.6 | -168.5 | 174 | 71.4 | 0 | 113.7 | P363 R367 W378 I415 L416 K418 L438 | P363-K440 HydrophobicContact CB-CB 4.5Å; P363-K440 HydrophobicContact CG-CB 4.25Å; P363-K440 HydrophobicContact CG-CG 4.09Å; R367-K440 PolarHBondContact NH1-O 2.89Å; W378-K440 HydrophobicContact CH2-CG 4.24Å; W378-K440 HydrophobicContact CZ3-CG 4.23Å; I415-K440 WeakPolarHBondContact O-CE 3.4Å; L416-K440 VanDerWaalsContact O-CD 3.25Å; L416-K440 WeakPolarHBondContact O-CD 3.48Å; L416-K440 WeakPolarHBondContact O-CE 3.31Å; K418-K440 PolarHBondContact O-NZ 2.78Å; L438-K440 PolarHBondContact O-N 3.04Å |
| 441 | N | 97.1 | Very high | 97.3 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -91.4 | 113.1 | 169.4 | -179.1 | 0.6 | 0 | 0 | 0 | 108.6 | N439 M443 E444 R445 | N439-N441 PolarHBondContact O-N 3.31Å; N439-N441 PolarHBondContact OD1-N 3.39Å; N441-M443 PolarHBondContact O-N 3.09Å; N441-M443 PolarHBondContact OD1-N 3.32Å; N441-M443 VanDerWaalsContact OD1-N 3.09Å; N441-E444 HydrophobicContact CB-CB 4.37Å; N441-E444 PolarHBondContact ND2-OE1 3.42Å; N441-E444 VanDerWaalsContact ND2-OE1 3.16Å; N441-E444 PolarHBondContact O-N 2.95Å; N441-R445 PolarHBondContact O-N 2.8Å |
| 442 | P | 96.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -61.4 | -28.2 | -179.3 | 24.6 | -33.5 | 0 | 0 | 0 | 112.9 | E364 E444 R445 C448 | E364-P442 HydrophobicContact CB-CG 4.42Å; P442-E444 VanDerWaalsContact C-N 3.28Å; P442-E444 PolarHBondContact O-N 3.43Å; P442-R445 WeakPolarHBondContact O-CB 3.48Å; P442-R445 PolarHBondContact O-N 2.73Å; P442-C448 WeakPolarHBondContact O-CB 3.45Å |
| 443 | M | 94.8 | Very high | 96.9 | Very high | 159 Ų | 159 | 49.2 Ų | 49.2 | 78% | 0.783 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -71.9 | -22.1 | -179.5 | -60.7 | -60.4 | -70.6 | 0 | 0 | 113.5 | N441 | N441-M443 PolarHBondContact O-N 3.09Å; N441-M443 PolarHBondContact OD1-N 3.32Å; N441-M443 VanDerWaalsContact OD1-N 3.09Å |
| 444 | E | 97.1 | Very high | 96.8 | Very high | 129 Ų | 129 | 53.3 Ų | 53.3 | 60% | 0.603 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -106.5 | 5 | 178.1 | -67.9 | 173.7 | -157.6 | 0 | 0 | 112.3 | N439 N441 P442 | N439-E444 WeakPolarHBondContact ND2-CB 3.42Å; N439-E444 PolarHBondContact ND2-O 3.01Å; N439-E444 PolarHBondContact ND2-OE2 2.85Å; N441-E444 HydrophobicContact CB-CB 4.37Å; N441-E444 PolarHBondContact ND2-OE1 3.42Å; N441-E444 VanDerWaalsContact ND2-OE1 3.16Å; N441-E444 PolarHBondContact O-N 2.95Å; P442-E444 VanDerWaalsContact C-N 3.28Å; P442-E444 PolarHBondContact O-N 3.43Å |
| 445 | R | 98.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -78.8 | 137.6 | -177.9 | -171.8 | 178.7 | -62.2 | 148.4 | 6.7 | 110 | E364 S374 G436 F437 N439 N441 P442 G447 C448 | E364-R445 IonicContact OE1-CZ 3.56Å; E364-R445 IonicContact OE1-NH1 3.44Å; E364-R445 PolarHBondContact OE1-NH1 3.16Å; E364-R445 IonicContact OE1-NH2 2.81Å; E364-R445 IonicContact OE2-CZ 4Å; E364-R445 IonicContact OE2-NH1 2.81Å; E364-R445 PolarHBondContact OE2-NH1 2.88Å; E364-R445 IonicContact OE2-NH2 3.5Å; E364-R445 PolarHBondContact OE2-NH2 2.71Å; S374-R445 PolarHBondContact O-NH1 3.39Å; G436-R445 WeakPolarHBondContact O-CG 3.47Å; F437-R445 WeakPolarHBondContact O-CD 3.26Å; F437-R445 WeakPolarHBondContact O-CG 3.24Å; F437-R445 PolarHBondContact O-NE 3.21Å; N439-R445 HydrophobicContact CB-CB 4.28Å; N439-R445 PolarHBondContact O-NE 3.22Å; N439-R445 PolarHBondContact O-NH2 2.89Å; N441-R445 PolarHBondContact O-N 2.8Å; P442-R445 WeakPolarHBondContact O-CB 3.48Å; P442-R445 PolarHBondContact O-N 2.73Å; R445-G447 PolarHBondContact O-N 2.88Å; R445-C448 HydrophobicContact CB-CB 4.34Å; R445-C448 VanDerWaalsContact O-CB 3.31Å; R445-C448 WeakPolarHBondContact O-CB 3.35Å; R445-C448 PolarHBondContact O-N 3.45Å |
| 446 | L | 98.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.131 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132.8 | 174.4 | -175.8 | 65 | 0 | 0 | 0 | 109.7 | V433 G436 F437 D458 I459 H462 | V433-L446 HydrophobicContact CG2-CD2 3.94Å; G436-L446 PolarHBondContact O-N 2.74Å; F437-L446 HydrophobicContact CD1-CB 3.97Å; F437-L446 HydrophobicContact CD1-CD2 4.31Å; F437-L446 HydrophobicContact CD1-CG 4.31Å; F437-L446 WeakPolarHBondContact CD1-O 3.2Å; F437-L446 HydrophobicContact CD2-CD2 4.27Å; F437-L446 HydrophobicContact CE1-CB 4.16Å; F437-L446 HydrophobicContact CE1-CD2 4.04Å; F437-L446 HydrophobicContact CE1-CG 4.02Å; F437-L446 HydrophobicContact CE2-CD2 4Å; F437-L446 HydrophobicContact CG-CB 4.46Å; F437-L446 HydrophobicContact CG-CD2 4.41Å; F437-L446 HydrophobicContact CZ-CD2 3.88Å; F437-L446 HydrophobicContact CZ-CG 4.3Å; L446-D458 HydrophobicContact CD1-CB 4.1Å; L446-I459 HydrophobicContact CD1-CG1 4.39Å; L446-I459 HydrophobicContact CG-CG1 3.95Å; L446-H462 HydrophobicContact CD2-CB 4.37Å |
| 447 | G | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -10 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | W377 R445 G455 I459 | W377-G447 PolarHBondContact NE1-O 2.79Å; R445-G447 PolarHBondContact O-N 2.88Å; G447-G455 WeakPolarHBondContact CA-O 3.37Å; G447-I459 VanDerWaalsContact CA-CD1 3.49Å |
| 448 | C | 96.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | trans | -102.2 | -2.8 | -171.3 | -59.7 | 0 | 0 | 0 | 0 | 114.6 | S374 P442 R445 Q450 | S374-C448 VanDerWaalsContact CA-SG 3.57Å; S374-C448 VanDerWaalsContact CB-SG 3.56Å; P442-C448 WeakPolarHBondContact O-CB 3.45Å; R445-C448 HydrophobicContact CB-CB 4.34Å; R445-C448 VanDerWaalsContact O-CB 3.31Å; R445-C448 WeakPolarHBondContact O-CB 3.35Å; R445-C448 PolarHBondContact O-N 3.45Å; C448-Q450 PolarHBondContact O-NE2 3.43Å | ||
| 449 | A | 95 | Very high | 96.5 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | trans | -59.5 | 143.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P451 L454 G455 D458 | A449-P451 VanDerWaalsContact O-O 3.05Å; A449-L454 HydrophobicContact CB-CD2 4.17Å; A449-L454 HydrophobicContact CB-CG 4.11Å; A449-G455 WeakPolarHBondContact O-CA 3.47Å; A449-G455 PolarHBondContact O-N 3.05Å; A449-D458 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 450 | Q | 92.9 | Very high | 96.5 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -106 | 142.8 | -179.1 | -66.5 | -60.1 | -46.4 | 0 | 0 | 111 | C448 | C448-Q450 PolarHBondContact O-NE2 3.43Š|
| 451 | P | 94 | Very high | 96.5 | Very high | 78 Ų | 78 | 56 Ų | 56 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -70 | 168.8 | -0.4 | 32.5 | -37.6 | 0 | 0 | 0 | 112.7 | A449 Q453 L454 G455 | A449-P451 VanDerWaalsContact O-O 3.05Å; P451-Q453 PolarHBondContact O-N 2.77Å; P451-L454 WeakPolarHBondContact O-CA 3.37Å; P451-L454 WeakPolarHBondContact O-CB 3.36Å; P451-L454 PolarHBondContact O-N 3.14Å; P451-G455 PolarHBondContact O-N 3.29Å |
| 452 | L | 93.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -45.4 | -40.1 | -178.3 | -178 | 69.7 | 0 | 0 | 0 | 113.4 | Y308 H311 F373 L454 G455 F456 | Y308-L452 HydrophobicContact CD2-CD2 4.4Å; Y308-L452 HydrophobicContact CD2-CG 4.3Å; Y308-L452 HydrophobicContact CE2-CD2 4.1Å; Y308-L452 HydrophobicContact CE2-CG 3.98Å; H311-L452 HydrophobicContact CB-CD1 3.86Å; H311-L452 HydrophobicContact CB-CD2 3.87Å; F373-L452 HydrophobicContact CD2-CD1 4.11Å; L452-L454 VanDerWaalsContact C-N 3.31Å; L452-L454 PolarHBondContact O-N 3.39Å; L452-G455 PolarHBondContact O-N 3.1Å; L452-F456 PolarHBondContact O-N 3.49Å |
| 453 | Q | 95.3 | Very high | 96.7 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 177.7 | -68.8 | 75.6 | 13.4 | 0 | 0 | 112.8 | P451 F456 E457 | P451-Q453 PolarHBondContact O-N 2.77Å; Q453-F456 PolarHBondContact O-N 3.49Å; Q453-E457 WeakPolarHBondContact O-CB 2.95Å; Q453-E457 WeakPolarHBondContact O-CG 3.25Å; Q453-E457 PolarHBondContact O-N 3.46Å |
| 454 | L | 96.3 | Very high | 96.9 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 177.8 | -177.7 | 63.4 | 0 | 0 | 0 | 110.8 | A449 P451 L452 F456 E457 D458 | A449-L454 HydrophobicContact CB-CD2 4.17Å; A449-L454 HydrophobicContact CB-CG 4.11Å; P451-L454 WeakPolarHBondContact O-CA 3.37Å; P451-L454 WeakPolarHBondContact O-CB 3.36Å; P451-L454 PolarHBondContact O-N 3.14Å; L452-L454 VanDerWaalsContact C-N 3.31Å; L452-L454 PolarHBondContact O-N 3.39Å; L454-F456 VanDerWaalsContact C-N 3.27Å; L454-F456 PolarHBondContact O-N 2.91Å; L454-E457 PolarHBondContact O-N 2.85Å; L454-D458 PolarHBondContact O-N 3.44Å |
| 455 | G | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G447 A449 P451 L452 D458 I459 | G447-G455 WeakPolarHBondContact CA-O 3.37Å; A449-G455 WeakPolarHBondContact O-CA 3.47Å; A449-G455 PolarHBondContact O-N 3.05Å; P451-G455 PolarHBondContact O-N 3.29Å; L452-G455 PolarHBondContact O-N 3.1Å; G455-D458 PolarHBondContact O-N 3.35Å; G455-I459 WeakPolarHBondContact O-CG1 3.3Å; G455-I459 PolarHBondContact O-N 3.14Å |
| 456 | F | 97.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.1 | -178.3 | -129 | 0 | 0 | 0 | 112.7 | I304 L305 Y308 L452 Q453 L454 D458 I459 K460 | I304-F456 HydrophobicContact CG2-CD2 4.16Å; I304-F456 HydrophobicContact CG2-CE2 3.74Å; L305-F456 HydrophobicContact CD2-CZ 4Å; Y308-F456 AromaticContact CD1-CD1 3.9Å; Y308-F456 HydrophobicContact CD1-CD1 3.9Å; Y308-F456 HydrophobicContact CD1-CD2 4.36Å; Y308-F456 AromaticContact CD1-CE1 3.69Å; Y308-F456 HydrophobicContact CD1-CE1 3.69Å; Y308-F456 HydrophobicContact CD1-CE2 4.2Å; Y308-F456 HydrophobicContact CD1-CG 4.22Å; Y308-F456 AromaticContact CD1-CZ 3.86Å; Y308-F456 HydrophobicContact CD1-CZ 3.86Å; Y308-F456 HydrophobicContact CD2-CB 3.56Å; Y308-F456 AromaticContact CD2-CD1 3.79Å; Y308-F456 HydrophobicContact CD2-CD1 3.79Å; Y308-F456 AromaticContact CD2-CD2 3.74Å; Y308-F456 HydrophobicContact CD2-CD2 3.74Å; Y308-F456 HydrophobicContact CD2-CE1 4.38Å; Y308-F456 HydrophobicContact CD2-CE2 4.36Å; Y308-F456 AromaticContact CD2-CG 3.42Å; Y308-F456 HydrophobicContact CD2-CG 3.42Å; Y308-F456 VanDerWaalsContact CD2-CG 3.42Å; Y308-F456 AromaticContact CE1-CD1 3.71Å; Y308-F456 HydrophobicContact CE1-CD1 3.71Å; Y308-F456 AromaticContact CE1-CE1 3.68Å; Y308-F456 HydrophobicContact CE1-CE1 3.68Å; Y308-F456 HydrophobicContact CE1-CG 4.35Å; Y308-F456 HydrophobicContact CE1-CZ 4.32Å; Y308-F456 HydrophobicContact CE2-CB 3.5Å; Y308-F456 AromaticContact CE2-CD1 3.59Å; Y308-F456 HydrophobicContact CE2-CD1 3.59Å; Y308-F456 HydrophobicContact CE2-CD2 4.35Å; Y308-F456 HydrophobicContact CE2-CE1 4.36Å; Y308-F456 AromaticContact CE2-CG 3.57Å; Y308-F456 HydrophobicContact CE2-CG 3.57Å; Y308-F456 HydrophobicContact CG-CB 4.39Å; Y308-F456 AromaticContact CG-CD1 3.93Å; Y308-F456 HydrophobicContact CG-CD1 3.93Å; Y308-F456 AromaticContact CG-CD2 3.74Å; Y308-F456 HydrophobicContact CG-CD2 3.74Å; Y308-F456 HydrophobicContact CG-CE1 4.05Å; Y308-F456 AromaticContact CG-CE2 3.89Å; Y308-F456 HydrophobicContact CG-CE2 3.89Å; Y308-F456 AromaticContact CG-CG 3.76Å; Y308-F456 HydrophobicContact CG-CG 3.76Å; Y308-F456 HydrophobicContact CG-CZ 4.04Å; Y308-F456 AromaticContact CZ-CD1 3.54Å; L452-F456 PolarHBondContact O-N 3.49Å; Q453-F456 PolarHBondContact O-N 3.49Å; L454-F456 VanDerWaalsContact C-N 3.27Å; L454-F456 PolarHBondContact O-N 2.91Å; F456-D458 VanDerWaalsContact C-N 3.31Å; F456-D458 PolarHBondContact O-N 2.86Å; F456-I459 WeakPolarHBondContact O-CB 3.3Å; F456-I459 PolarHBondContact O-N 3.25Å; F456-I459 VanDerWaalsContact O-N 3.13Å; F456-K460 HydrophobicContact CD1-CD 4.01Å; F456-K460 HydrophobicContact CD2-CG 4.44Å; F456-K460 HydrophobicContact CE1-CD 3.63Å; F456-K460 HydrophobicContact CE1-CG 4.44Å; F456-K460 HydrophobicContact CE2-CD 4.18Å; F456-K460 HydrophobicContact CE2-CG 4.13Å; F456-K460 HydrophobicContact CG-CD 4.47Å; F456-K460 HydrophobicContact CZ-CD 3.72Å; F456-K460 HydrophobicContact CZ-CG 4.15Å; F456-K460 WeakPolarHBondContact O-CG 3.05Å; F456-K460 PolarHBondContact O-N 3.32Å |
| 457 | E | 97.7 | Very high | 96.7 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.2 | -76.5 | -60.7 | 139.2 | 0 | 0 | 112.5 | Q453 L454 I459 K460 N461 | Q453-E457 WeakPolarHBondContact O-CB 2.95Å; Q453-E457 WeakPolarHBondContact O-CG 3.25Å; Q453-E457 PolarHBondContact O-N 3.46Å; L454-E457 PolarHBondContact O-N 2.85Å; E457-I459 VanDerWaalsContact C-N 3.29Å; E457-I459 PolarHBondContact O-N 3.11Å; E457-K460 PolarHBondContact O-N 3.28Å; E457-K460 WeakPolarHBondContact OE1-CD 3.32Å; E457-K460 IonicContact OE1-NZ 3.58Å; E457-K460 PolarHBondContact OE1-NZ 3.43Å; E457-K460 VanDerWaalsContact OE1-NZ 3.12Å; E457-N461 WeakPolarHBondContact O-CB 3.45Å; E457-N461 PolarHBondContact O-N 3.24Å; E457-N461 PolarHBondContact O-ND2 2.7Å; E457-N461 PolarHBondContact OE2-ND2 3.4Å |
| 458 | D | 97.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 172.9 | -71.6 | -24.2 | 0 | 0 | 0 | 111.7 | L446 A449 L454 G455 F456 H462 | L446-D458 HydrophobicContact CD1-CB 4.1Å; A449-D458 WeakPolarHBondContact CB-OD2 3.35Å; L454-D458 PolarHBondContact O-N 3.44Å; G455-D458 PolarHBondContact O-N 3.35Å; F456-D458 VanDerWaalsContact C-N 3.31Å; F456-D458 PolarHBondContact O-N 2.86Å; D458-H462 PolarHBondContact O-N 3.27Å |
| 459 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -51.4 | 174.3 | -65.3 | 164.5 | 0 | 0 | 0 | 110.1 | I304 W377 F437 L446 G447 G455 F456 E457 N461 H462 F465 W470 | I304-I459 HydrophobicContact CD1-CG2 3.61Å; I304-I459 HydrophobicContact CG1-CG2 4.2Å; I304-I459 HydrophobicContact CG2-CG2 3.94Å; W377-I459 HydrophobicContact CD2-CD1 3.93Å; W377-I459 HydrophobicContact CE3-CD1 3.75Å; W377-I459 HydrophobicContact CH2-CD1 3.62Å; W377-I459 HydrophobicContact CZ2-CD1 3.76Å; W377-I459 HydrophobicContact CZ3-CD1 3.62Å; F437-I459 HydrophobicContact CE1-CD1 4Å; F437-I459 HydrophobicContact CE1-CG1 4Å; F437-I459 HydrophobicContact CZ-CD1 4.2Å; F437-I459 HydrophobicContact CZ-CG1 3.99Å; F437-I459 HydrophobicContact CZ-CG2 4.08Å; L446-I459 HydrophobicContact CD1-CG1 4.39Å; L446-I459 HydrophobicContact CG-CG1 3.95Å; G447-I459 VanDerWaalsContact CA-CD1 3.49Å; G455-I459 WeakPolarHBondContact O-CG1 3.3Å; G455-I459 PolarHBondContact O-N 3.14Å; F456-I459 WeakPolarHBondContact O-CB 3.3Å; F456-I459 PolarHBondContact O-N 3.25Å; F456-I459 VanDerWaalsContact O-N 3.13Å; E457-I459 VanDerWaalsContact C-N 3.29Å; E457-I459 PolarHBondContact O-N 3.11Å; I459-N461 VanDerWaalsContact C-N 3.27Å; I459-N461 PolarHBondContact O-N 3.47Å; I459-H462 VanDerWaalsContact O-CB 3.31Å; I459-H462 WeakPolarHBondContact O-CB 3.4Å; I459-H462 PolarHBondContact O-N 3Å; I459-H462 VanDerWaalsContact O-N 3.1Å; I459-F465 HydrophobicContact CG2-CD2 4.13Å; I459-F465 HydrophobicContact CG2-CE2 3.98Å; I459-F465 WeakPolarHBondContact O-CD2 3.35Å; I459-W470 HydrophobicContact CG2-CH2 4.5Å |
| 460 | K | 98 | Very high | 96.9 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | -177.4 | -68.6 | 178.7 | 64.1 | -172.3 | 0 | 112.4 | F456 E457 H462 W470 | F456-K460 HydrophobicContact CD1-CD 4.01Å; F456-K460 HydrophobicContact CD2-CG 4.44Å; F456-K460 HydrophobicContact CE1-CD 3.63Å; F456-K460 HydrophobicContact CE1-CG 4.44Å; F456-K460 HydrophobicContact CE2-CD 4.18Å; F456-K460 HydrophobicContact CE2-CG 4.13Å; F456-K460 HydrophobicContact CG-CD 4.47Å; F456-K460 HydrophobicContact CZ-CD 3.72Å; F456-K460 HydrophobicContact CZ-CG 4.15Å; F456-K460 WeakPolarHBondContact O-CG 3.05Å; F456-K460 PolarHBondContact O-N 3.32Å; E457-K460 PolarHBondContact O-N 3.28Å; E457-K460 WeakPolarHBondContact OE1-CD 3.32Å; E457-K460 IonicContact OE1-NZ 3.58Å; E457-K460 PolarHBondContact OE1-NZ 3.43Å; E457-K460 VanDerWaalsContact OE1-NZ 3.12Å; K460-H462 VanDerWaalsContact C-N 3.34Å; K460-W470 HydrophobicContact CB-CZ2 4.16Å; K460-W470 HydrophobicContact CD-CD2 4.3Å; K460-W470 HydrophobicContact CD-CG 4.26Å; K460-W470 VanDerWaalsContact CE-CD1 3.48Å; K460-W470 HydrophobicContact CG-CD2 3.82Å; K460-W470 HydrophobicContact CG-CE3 4.37Å; K460-W470 HydrophobicContact CG-CG 4.17Å; K460-W470 HydrophobicContact CG-CH2 4.41Å; K460-W470 HydrophobicContact CG-CZ2 3.87Å |
| 461 | N | 97.5 | Very high | 97.1 | Very high | 114 Ų | 114 | 61.8 Ų | 61.8 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -84 | -6.9 | -177.7 | -67.4 | -55.7 | 0 | 0 | 0 | 113.6 | E457 I459 | E457-N461 WeakPolarHBondContact O-CB 3.45Å; E457-N461 PolarHBondContact O-N 3.24Å; E457-N461 PolarHBondContact O-ND2 2.7Å; E457-N461 PolarHBondContact OE2-ND2 3.4Å; I459-N461 VanDerWaalsContact C-N 3.27Å; I459-N461 PolarHBondContact O-N 3.47Å |
| 462 | H | 98.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -60.8 | 135.8 | 179 | -174 | -84.6 | 0 | 0 | 0 | 110.8 | S432 V433 L446 D458 I459 K460 F464 F465 R466 | S432-H462 PolarHBondContact OG-NE2 2.92Å; V433-H462 WeakPolarHBondContact CA-CE1 3.14Å; V433-H462 WeakPolarHBondContact CB-CE1 3.12Å; V433-H462 PolarHBondContact N-CE1 3.31Å; L446-H462 HydrophobicContact CD2-CB 4.37Å; D458-H462 PolarHBondContact O-N 3.27Å; I459-H462 VanDerWaalsContact O-CB 3.31Å; I459-H462 WeakPolarHBondContact O-CB 3.4Å; I459-H462 PolarHBondContact O-N 3Å; I459-H462 VanDerWaalsContact O-N 3.1Å; K460-H462 VanDerWaalsContact C-N 3.34Å; H462-F464 WeakPolarHBondContact ND1-CB 3.39Å; H462-F464 PolarHBondContact ND1-N 3.5Å; H462-F464 PolarHBondContact O-N 3.46Å; H462-F465 HydrophobicContact CB-CD2 4.34Å; H462-F465 PolarHBondContact O-N 3.34Å; H462-R466 PolarHBondContact O-N 2.86Å |
| 463 | P | 98.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.1 | -173.2 | -30.4 | 35.7 | 0 | 0 | 0 | 116.5 | K429 F465 | K429-P463 HydrophobicContact CG-CB 4.34Å; P463-F465 VanDerWaalsContact C-N 3.35Å |
| 464 | F | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -33.9 | 174.4 | -175.2 | -100.9 | 0 | 0 | 0 | 112.8 | E293 R297 M384 M388 K429 A430 V433 H462 | E293-F464 HydrophobicContact CB-CE2 4.26Å; R297-F464 HydrophobicContact CB-CD1 4.5Å; R297-F464 HydrophobicContact CB-CE1 3.68Å; R297-F464 HydrophobicContact CB-CZ 3.9Å; R297-F464 WeakPolarHBondContact CD-O 3.16Å; R297-F464 HydrophobicContact CG-CD1 4.28Å; R297-F464 HydrophobicContact CG-CE1 3.93Å; R297-F464 PolarHBondContact NE-O 3.48Å; M384-F464 HydrophobicContact CE-CD1 3.96Å; M384-F464 HydrophobicContact CE-CE1 3.54Å; M384-F464 HydrophobicContact CE-CZ 4.23Å; M388-F464 HydrophobicContact CE-CZ 4.49Å; M388-F464 HydrophobicContact SD-CE2 4.09Å; M388-F464 HydrophobicContact SD-CZ 3.97Å; K429-F464 HydrophobicContact CB-CB 4.38Å; K429-F464 HydrophobicContact CB-CD2 4.27Å; A430-F464 HydrophobicContact CB-CD2 4.11Å; A430-F464 HydrophobicContact CB-CE2 3.86Å; V433-F464 HydrophobicContact CB-CB 3.81Å; V433-F464 HydrophobicContact CB-CD1 4.4Å; V433-F464 HydrophobicContact CB-CG 4.11Å; V433-F464 HydrophobicContact CG1-CB 3.92Å; V433-F464 HydrophobicContact CG1-CD1 3.86Å; V433-F464 HydrophobicContact CG1-CD2 4.01Å; V433-F464 HydrophobicContact CG1-CE1 4.36Å; V433-F464 HydrophobicContact CG1-CG 3.65Å; V433-F464 HydrophobicContact CG2-CB 4.28Å; V433-F464 HydrophobicContact CG2-CD1 4.43Å; H462-F464 WeakPolarHBondContact ND1-CB 3.39Å; H462-F464 PolarHBondContact ND1-N 3.5Å; H462-F464 PolarHBondContact O-N 3.46Å |
| 465 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 6.5 | -179 | -61.5 | -66.8 | 0 | 0 | 0 | 113.6 | R297 I304 M384 V433 F437 I459 H462 P463 T467 V468 W470 | R297-F465 HydrophobicContact CG-CD1 3.8Å; R297-F465 HydrophobicContact CG-CE1 4.15Å; I304-F465 HydrophobicContact CD1-CE1 3.86Å; I304-F465 HydrophobicContact CD1-CE2 3.76Å; I304-F465 HydrophobicContact CD1-CZ 3.37Å; M384-F465 HydrophobicContact CE-CZ 3.86Å; M384-F465 HydrophobicContact SD-CZ 4.33Å; V433-F465 HydrophobicContact CG2-CD2 4.49Å; V433-F465 HydrophobicContact CG2-CE2 3.73Å; V433-F465 HydrophobicContact CG2-CZ 4.35Å; F437-F465 HydrophobicContact CE2-CE2 4.25Å; I459-F465 HydrophobicContact CG2-CD2 4.13Å; I459-F465 HydrophobicContact CG2-CE2 3.98Å; I459-F465 WeakPolarHBondContact O-CD2 3.35Å; H462-F465 HydrophobicContact CB-CD2 4.34Å; H462-F465 PolarHBondContact O-N 3.34Å; P463-F465 VanDerWaalsContact C-N 3.35Å; F465-T467 PolarHBondContact O-N 3.14Å; F465-V468 HydrophobicContact CB-CG2 4.14Å; F465-V468 HydrophobicContact CD1-CG2 4.06Å; F465-V468 VanDerWaalsContact O-CB 3.26Å; F465-V468 WeakPolarHBondContact O-CB 2.92Å; F465-V468 WeakPolarHBondContact O-CG2 3.17Å; F465-V468 PolarHBondContact O-N 3.43Å; F465-W470 HydrophobicContact CB-CZ2 3.83Å; F465-W470 HydrophobicContact CD1-CH2 4.47Å; F465-W470 HydrophobicContact CD1-CZ2 4.35Å; F465-W470 HydrophobicContact CG-CH2 4.46Å; F465-W470 HydrophobicContact CG-CZ2 4.04Å |
| 466 | R | 95.6 | Very high | 97.7 | Very high | 204 Ų | 204 | 62 Ų | 62 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -30.1 | -178.4 | 176.3 | 179.3 | -106.2 | -177.4 | -2.6 | 114.8 | H462 | H462-R466 PolarHBondContact O-N 2.86Š|
| 467 | T | 95.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 64% | 0.638 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.5 | -178.9 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | F465 | F465-T467 PolarHBondContact O-N 3.14Š|
| 468 | V | 98.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 66.3 Ų | 66.3 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | trans | -87.9 | 116.8 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | R297 A301 F465 W470 V473 | R297-V468 HydrophobicContact CG-CG2 3.82Å; A301-V468 HydrophobicContact CB-CG1 3.89Å; A301-V468 HydrophobicContact CB-CG2 4.31Å; F465-V468 HydrophobicContact CB-CG2 4.14Å; F465-V468 HydrophobicContact CD1-CG2 4.06Å; F465-V468 VanDerWaalsContact O-CB 3.26Å; F465-V468 WeakPolarHBondContact O-CB 2.92Å; F465-V468 WeakPolarHBondContact O-CG2 3.17Å; F465-V468 PolarHBondContact O-N 3.43Å; V468-W470 HydrophobicContact CB-CZ2 4.37Å; V468-W470 HydrophobicContact CG1-CD2 3.75Å; V468-W470 HydrophobicContact CG1-CE3 4.18Å; V468-W470 HydrophobicContact CG1-CG 4.06Å; V468-W470 HydrophobicContact CG1-CZ2 4.14Å; V468-W470 VanDerWaalsContact O-CD1 3.29Å; V468-W470 PolarHBondContact O-N 3.16Å; V468-V473 HydrophobicContact CG1-CG2 3.84Å | ||
| 469 | E | 97.5 | Very high | 97.6 | Very high | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | trans | -85.6 | 90.4 | 168.4 | -65.5 | -65.6 | 166.9 | 0 | 0 | 108.5 | D471 L472 V473 | E469-D471 VanDerWaalsContact C-N 3.35Å; E469-D471 PolarHBondContact O-N 3.4Å; E469-L472 HydrophobicContact CB-CB 4.05Å; E469-L472 HydrophobicContact CB-CD1 3.74Å; E469-L472 HydrophobicContact CB-CG 3.96Å; E469-L472 HydrophobicContact CG-CD1 4.15Å; E469-L472 WeakPolarHBondContact O-CB 3.49Å; E469-L472 PolarHBondContact O-N 3.2Å; E469-L472 VanDerWaalsContact O-N 3.09Å; E469-V473 PolarHBondContact O-N 3.23Å | ||
| 470 | W | 98.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 70 Ų | 70 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | -167.7 | -67.8 | 90.4 | 0 | 0 | 0 | 114 | A301 I304 L305 I459 K460 F465 V468 L472 V473 E474 | A301-W470 HydrophobicContact CB-CH2 4.14Å; A301-W470 HydrophobicContact CB-CZ3 4.03Å; I304-W470 HydrophobicContact CB-CH2 4.24Å; I304-W470 HydrophobicContact CB-CZ3 4.12Å; I304-W470 HydrophobicContact CD1-CH2 4Å; I304-W470 HydrophobicContact CG2-CH2 3.87Å; I304-W470 HydrophobicContact CG2-CZ3 3.78Å; L305-W470 HydrophobicContact CD1-CE3 4.26Å; L305-W470 HydrophobicContact CD2-CE3 4.05Å; L305-W470 HydrophobicContact CG-CE3 3.99Å; L305-W470 HydrophobicContact CG-CZ3 4.18Å; I459-W470 HydrophobicContact CG2-CH2 4.5Å; K460-W470 HydrophobicContact CB-CZ2 4.16Å; K460-W470 HydrophobicContact CD-CD2 4.3Å; K460-W470 HydrophobicContact CD-CG 4.26Å; K460-W470 VanDerWaalsContact CE-CD1 3.48Å; K460-W470 HydrophobicContact CG-CD2 3.82Å; K460-W470 HydrophobicContact CG-CE3 4.37Å; K460-W470 HydrophobicContact CG-CG 4.17Å; K460-W470 HydrophobicContact CG-CH2 4.41Å; K460-W470 HydrophobicContact CG-CZ2 3.87Å; F465-W470 HydrophobicContact CB-CZ2 3.83Å; F465-W470 HydrophobicContact CD1-CH2 4.47Å; F465-W470 HydrophobicContact CD1-CZ2 4.35Å; F465-W470 HydrophobicContact CG-CH2 4.46Å; F465-W470 HydrophobicContact CG-CZ2 4.04Å; V468-W470 HydrophobicContact CB-CZ2 4.37Å; V468-W470 HydrophobicContact CG1-CD2 3.75Å; V468-W470 HydrophobicContact CG1-CE3 4.18Å; V468-W470 HydrophobicContact CG1-CG 4.06Å; V468-W470 HydrophobicContact CG1-CZ2 4.14Å; V468-W470 VanDerWaalsContact O-CD1 3.29Å; V468-W470 PolarHBondContact O-N 3.16Å; W470-L472 VanDerWaalsContact C-N 3.3Å; W470-L472 PolarHBondContact O-N 3.33Å; W470-V473 PolarHBondContact O-N 3.44Å; W470-E474 WeakPolarHBondContact O-CB 3.33Å; W470-E474 PolarHBondContact O-N 2.98Å |
| 471 | D | 97.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 70.1 Ų | 70.1 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.8 | -35.2 | 179 | -57.8 | -19.8 | 0 | 0 | 0 | 111.4 | E469 A475 | E469-D471 VanDerWaalsContact C-N 3.35Å; E469-D471 PolarHBondContact O-N 3.4Å; D471-A475 VanDerWaalsContact O-CB 3.28Å; D471-A475 WeakPolarHBondContact O-CB 3.25Å; D471-A475 PolarHBondContact O-N 2.98Å |
| 472 | L | 98.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 67 Ų | 67 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 175.8 | -60.5 | -177 | 0 | 0 | 0 | 111.5 | E469 W470 K476 Q477 V478 | E469-L472 HydrophobicContact CB-CB 4.05Å; E469-L472 HydrophobicContact CB-CD1 3.74Å; E469-L472 HydrophobicContact CB-CG 3.96Å; E469-L472 HydrophobicContact CG-CD1 4.15Å; E469-L472 WeakPolarHBondContact O-CB 3.49Å; E469-L472 PolarHBondContact O-N 3.2Å; E469-L472 VanDerWaalsContact O-N 3.09Å; W470-L472 VanDerWaalsContact C-N 3.3Å; W470-L472 PolarHBondContact O-N 3.33Å; L472-K476 PolarHBondContact O-N 3.03Å; L472-Q477 HydrophobicContact CB-CB 4.31Å; L472-Q477 HydrophobicContact CD2-CB 4.33Å; L472-Q477 VanDerWaalsContact CD2-OE1 3.32Å; L472-Q477 PolarHBondContact O-N 2.71Å; L472-V478 HydrophobicContact CB-CG2 3.78Å |
| 473 | V | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -53 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | F255 A301 E302 L305 V468 E469 W470 A475 K476 V478 | F255-V473 HydrophobicContact CE2-CG1 4.29Å; F255-V473 HydrophobicContact CZ-CG1 4.13Å; F255-V473 VanDerWaalsContact CZ-O 3.25Å; F255-V473 WeakPolarHBondContact CZ-O 3.32Å; A301-V473 HydrophobicContact CB-CG1 4.48Å; E302-V473 HydrophobicContact CG-CG1 3.67Å; L305-V473 HydrophobicContact CD1-CB 4.12Å; L305-V473 HydrophobicContact CD1-CG1 3.68Å; V468-V473 HydrophobicContact CG1-CG2 3.84Å; E469-V473 PolarHBondContact O-N 3.23Å; W470-V473 PolarHBondContact O-N 3.44Å; V473-A475 PolarHBondContact O-N 2.78Å; V473-K476 WeakPolarHBondContact O-CA 3.36Å; V473-K476 PolarHBondContact O-N 3.16Å; V473-V478 HydrophobicContact CG2-CB 4.29Å; V473-V478 HydrophobicContact CG2-CG2 3.72Å |
| 474 | E | 97.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.7 | -38.2 | 179.6 | -169.7 | 171.3 | -154.7 | 0 | 0 | 112.4 | P254 L305 W470 K476 | P254-E474 WeakPolarHBondContact CG-O 3.46Å; L305-E474 HydrophobicContact CD1-CB 3.93Å; L305-E474 HydrophobicContact CD2-CB 4.48Å; W470-E474 WeakPolarHBondContact O-CB 3.33Å; W470-E474 PolarHBondContact O-N 2.98Å; E474-K476 PolarHBondContact O-N 3.41Å |
| 475 | A | 96.7 | Very high | 96.2 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 5.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D471 V473 Q477 | D471-A475 VanDerWaalsContact O-CB 3.28Å; D471-A475 WeakPolarHBondContact O-CB 3.25Å; D471-A475 PolarHBondContact O-N 2.98Å; V473-A475 PolarHBondContact O-N 2.78Å; A475-Q477 HydrophobicContact CB-CG 3.89Å; A475-Q477 PolarHBondContact O-N 2.7Å |
| 476 | K | 97.2 | Very high | 95.6 | Very high | 66 Ų | 66 | 80.7 Ų | 80.7 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.3 | -172.9 | -59.5 | -174.4 | 74.5 | -179.1 | 0 | 113.6 | P254 F255 D328 H332 L472 V473 E474 | P254-K476 HydrophobicContact CB-CD 3.93Å; P254-K476 HydrophobicContact CB-CG 4.07Å; F255-K476 HydrophobicContact CE1-CD 4.47Å; F255-K476 HydrophobicContact CE1-CG 3.97Å; F255-K476 HydrophobicContact CZ-CG 4.19Å; D328-K476 IonicContact OD2-NZ 2.66Å; D328-K476 PolarHBondContact OD2-NZ 2.72Å; H332-K476 WeakPolarHBondContact CD2-CE 3.43Å; L472-K476 PolarHBondContact O-N 3.03Å; V473-K476 WeakPolarHBondContact O-CA 3.36Å; V473-K476 PolarHBondContact O-N 3.16Å; E474-K476 PolarHBondContact O-N 3.41Å |
| 477 | Q | 97.5 | Very high | 95.1 | Very high | 135 Ų | 135 | 77 Ų | 77 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | trans | -96.4 | -8.8 | 179.5 | -64 | -177.5 | 14 | 0 | 0 | 113.2 | L472 A475 | L472-Q477 HydrophobicContact CB-CB 4.31Å; L472-Q477 HydrophobicContact CD2-CB 4.33Å; L472-Q477 VanDerWaalsContact CD2-OE1 3.32Å; L472-Q477 PolarHBondContact O-N 2.71Å; A475-Q477 HydrophobicContact CB-CG 3.89Å; A475-Q477 PolarHBondContact O-N 2.7Å | ||
| 478 | V | 97.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 76.6 Ų | 76.6 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -87.2 | 124.4 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | F298 H332 L472 V473 P480 | F298-V478 HydrophobicContact CD2-CG1 4.01Å; F298-V478 HydrophobicContact CE2-CB 4.1Å; F298-V478 HydrophobicContact CE2-CG1 3.77Å; H332-V478 PolarHBondContact CE1-O 3.13Å; L472-V478 HydrophobicContact CB-CG2 3.78Å; V473-V478 HydrophobicContact CG2-CB 4.29Å; V473-V478 HydrophobicContact CG2-CG2 3.72Å; V478-P480 WeakPolarHBondContact O-CD 3.08Å |
| 479 | V | 96.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 83.4 Ų | 83.4 | 77% | 0.77 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 125.4 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 480 | P | 97.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 83.1 Ų | 83.1 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.4 | 177 | -28 | 37.9 | 0 | 0 | 0 | 113.3 | F298 D330 H332 V478 H482 | F298-P480 HydrophobicContact CE1-CB 3.96Å; F298-P480 HydrophobicContact CE1-CG 4.28Å; F298-P480 HydrophobicContact CZ-CB 3.88Å; F298-P480 HydrophobicContact CZ-CG 3.82Å; D330-P480 WeakPolarHBondContact O-CG 3.01Å; H332-P480 VanDerWaalsContact CD2-CG 3.5Å; H332-P480 WeakPolarHBondContact CD2-CG 3.24Å; H332-P480 WeakPolarHBondContact NE2-CG 3.23Å; V478-P480 WeakPolarHBondContact O-CD 3.08Å; P480-H482 PolarHBondContact O-N 3.47Å |
| 481 | P | 95.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 83.3 Ų | 83.3 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -74.1 | -14.7 | -177.7 | 32.6 | -38.2 | 0 | 0 | 0 | 113 | H295 F298 Y299 | H295-P481 HydrophobicContact CB-CB 4.4Å; H295-P481 HydrophobicContact CB-CG 4.16Å; F298-P481 HydrophobicContact CB-CG 4.13Å; F298-P481 HydrophobicContact CD1-CG 3.95Å; F298-P481 HydrophobicContact CG-CG 4.08Å; Y299-P481 HydrophobicContact CE1-CG 4.49Å |
| 482 | H | 92.7 | Very high | 92.3 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | trans | -145.1 | 122.4 | 173.9 | 174.2 | 61.7 | 0 | 0 | 0 | 109.8 | H284 G331 P480 | H284-H482 AromaticContact CE1-CD2 3.15Å; H284-H482 PolarHBondContact CE1-CD2 3.32Å; H284-H482 AromaticContact CE1-CG 3.66Å; H284-H482 AromaticContact CE1-NE2 3.56Å; H284-H482 AromaticContact ND1-CD2 3.58Å; H284-H482 AromaticContact ND1-NE2 3.75Å; G331-H482 VanDerWaalsContact CA-O 3.31Å; G331-H482 WeakPolarHBondContact CA-O 3.43Å; P480-H482 PolarHBondContact O-N 3.47Å | ||
| 483 | R | 93.4 | Very high | 91.8 | Very high | 166 Ų | 166 | 77.6 Ų | 77.6 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | trans | -99.3 | 121.9 | 168.8 | -168 | 177.1 | -166.6 | -155.3 | 10.9 | 109.3 | A329 D330 | A329-R483 WeakPolarHBondContact O-CG 3.07Å; A329-R483 PolarHBondContact O-NE 2.84Å; D330-R483 IonicContact OD1-CZ 3.59Å; D330-R483 IonicContact OD1-NE 3.52Å; D330-R483 IonicContact OD1-NH2 2.85Å; D330-R483 PolarHBondContact OD1-NH2 3.19Å | ||
| 484 | P | 91.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | trans | -63.4 | 152.5 | 174.9 | -18 | 30.4 | 0 | 0 | 0 | 111.5 | I327 F486 | I327-P484 HydrophobicContact CG2-CG 3.75Å; P484-F486 HydrophobicContact CB-CE1 4.27Å; P484-F486 HydrophobicContact CB-CE2 3.91Å; P484-F486 HydrophobicContact CB-CZ 3.58Å; P484-F486 HydrophobicContact CG-CZ 4.26Å; P484-F486 WeakPolarHBondContact O-CE2 3.42Å | ||
| 485 | F | 89.2 | Confident | 90.9 | Very high | 154 Ų | 154 | 75.6 Ų | 75.6 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | trans | -106.4 | 133.4 | -179.5 | 173.8 | -92.1 | 0 | 0 | 0 | 110.6 | H494 | F485-H494 PolarHBondContact O-CE1 2.84Š| ||
| 486 | F | 86.5 | Confident | 90.3 | Very high | 48 Ų | 48 | 76.9 Ų | 76.9 | 21% | 0.211 | 39% | 0.385 | C | S | . | . | trans | -128.2 | 140.6 | -179.1 | -48.1 | -82.8 | 0 | 0 | 0 | 110.2 | P277 A329 P484 D491 H494 | P277-F486 HydrophobicContact CB-CD1 4.35Å; P277-F486 HydrophobicContact CB-CE1 3.7Å; P277-F486 HydrophobicContact CB-CZ 4.02Å; P277-F486 HydrophobicContact CG-CE1 4.13Å; P277-F486 HydrophobicContact CG-CZ 3.92Å; P277-F486 WeakPolarHBondContact O-CE1 3.31Å; A329-F486 HydrophobicContact CB-CE2 4.01Å; A329-F486 HydrophobicContact CB-CZ 4.46Å; P484-F486 HydrophobicContact CB-CE1 4.27Å; P484-F486 HydrophobicContact CB-CE2 3.91Å; P484-F486 HydrophobicContact CB-CZ 3.58Å; P484-F486 HydrophobicContact CG-CZ 4.26Å; P484-F486 WeakPolarHBondContact O-CE2 3.42Å; F486-D491 HydrophobicContact CB-CB 4.17Å; F486-D491 HydrophobicContact CD1-CB 4.43Å; F486-H494 AromaticContact CD1-CE1 3.74Å; F486-H494 AromaticContact CD1-ND1 3.76Å; F486-H494 AromaticContact CE1-CE1 3.46Å; F486-H494 VanDerWaalsContact CE1-CE1 3.46Å; F486-H494 WeakPolarHBondContact CE1-CE1 3.5Å; F486-H494 AromaticContact CE1-ND1 3.28Å; F486-H494 VanDerWaalsContact CE1-ND1 3.28Å; F486-H494 WeakPolarHBondContact CE1-ND1 3.41Å | ||
| 487 | N | 84.6 | Confident | 89.9 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 67% | 0.674 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -75.9 | -38.2 | 171.7 | -62.7 | -69.4 | 0 | 0 | 0 | 111.6 | D491 | N487-D491 WeakPolarHBondContact CB-OD2 3.41Å; N487-D491 PolarHBondContact N-OD2 3.36Å; N487-D491 PolarHBondContact ND2-OD2 3.24Å |
| 488 | D | 87.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 82.9 Ų | 82.9 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -154.9 | 176.1 | 176.2 | 63.8 | 59.3 | 0 | 0 | 0 | 110.8 | R490 D491 | D488-R490 PolarHBondContact O-N 3.24Å; D488-R490 VanDerWaalsContact OD1-C 3.28Å; D488-R490 VanDerWaalsContact OD1-CA 3.24Å; D488-R490 WeakPolarHBondContact OD1-CA 3.26Å; D488-R490 WeakPolarHBondContact OD1-CB 3.49Å; D488-R490 PolarHBondContact OD1-N 2.84Å; D488-D491 WeakPolarHBondContact O-CB 3.44Å; D488-D491 PolarHBondContact O-N 2.94Å; D488-D491 VanDerWaalsContact O-N 3.11Å; D488-D491 PolarHBondContact OD1-N 3.45Å |
| 489 | E | 79.4 | Confident | 89 | Confident | 163 Ų | 163 | 82.7 Ų | 82.7 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.5 | -177.9 | -64.2 | -178.4 | 171.7 | 0 | 0 | 113.9 | L220 | L220-E489 HydrophobicContact CD1-CB 4.17Å; L220-E489 WeakPolarHBondContact CD1-O 3.44Å |
| 490 | R | 85.8 | Confident | 88.7 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 5.1 | 177.4 | -61.8 | 178.8 | 178.5 | -171.9 | -0.9 | 111.9 | E213 L220 D488 L492 | E213-R490 IonicContact OE1-CZ 3.69Å; E213-R490 IonicContact OE1-NH2 2.65Å; E213-R490 PolarHBondContact OE1-NH2 3.09Å; E213-R490 IonicContact OE2-NH2 3.48Å; E213-R490 PolarHBondContact OE2-NH2 3.14Å; L220-R490 HydrophobicContact CD1-CG 3.95Å; L220-R490 HydrophobicContact CD2-CG 4.37Å; D488-R490 PolarHBondContact O-N 3.24Å; D488-R490 VanDerWaalsContact OD1-C 3.28Å; D488-R490 VanDerWaalsContact OD1-CA 3.24Å; D488-R490 WeakPolarHBondContact OD1-CA 3.26Å; D488-R490 WeakPolarHBondContact OD1-CB 3.49Å; D488-R490 PolarHBondContact OD1-N 2.84Å; R490-L492 WeakPolarHBondContact O-CG 3.23Å; R490-L492 PolarHBondContact O-N 3.46Å |
| 491 | D | 86.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 82 Ų | 82 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | trans | -61.1 | 127.3 | -179.2 | -166.6 | -16.2 | 0 | 0 | 0 | 110.8 | F486 N487 D488 G493 | F486-D491 HydrophobicContact CB-CB 4.17Å; F486-D491 HydrophobicContact CD1-CB 4.43Å; N487-D491 WeakPolarHBondContact CB-OD2 3.41Å; N487-D491 PolarHBondContact N-OD2 3.36Å; N487-D491 PolarHBondContact ND2-OD2 3.24Å; D488-D491 WeakPolarHBondContact O-CB 3.44Å; D488-D491 PolarHBondContact O-N 2.94Å; D488-D491 VanDerWaalsContact O-N 3.11Å; D488-D491 PolarHBondContact OD1-N 3.45Å; D491-G493 PolarHBondContact OD1-N 3.11Å | ||
| 492 | L | 89.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | trans | -114 | 18.9 | 178.8 | -60.7 | 175.7 | 0 | 0 | 0 | 112.5 | K199 I201 F275 R490 H494 F495 T500 | K199-L492 HydrophobicContact CB-CD1 3.47Å; K199-L492 VanDerWaalsContact CB-CD1 3.47Å; K199-L492 HydrophobicContact CD-CD1 4.42Å; K199-L492 HydrophobicContact CG-CD1 3.46Å; K199-L492 VanDerWaalsContact CG-CD1 3.46Å; I201-L492 HydrophobicContact CG2-CD1 4.18Å; I201-L492 HydrophobicContact CG2-CD2 3.81Å; F275-L492 HydrophobicContact CE2-CD2 4.37Å; F275-L492 HydrophobicContact CZ-CD2 3.91Å; R490-L492 WeakPolarHBondContact O-CG 3.23Å; R490-L492 PolarHBondContact O-N 3.46Å; L492-H494 PolarHBondContact O-N 3.43Å; L492-F495 HydrophobicContact CB-CD2 3.96Å; L492-F495 HydrophobicContact CD2-CD2 3.56Å; L492-F495 HydrophobicContact CD2-CE2 3.61Å; L492-F495 HydrophobicContact CD2-CG 4.28Å; L492-F495 HydrophobicContact CD2-CZ 4.39Å; L492-F495 HydrophobicContact CG-CD2 4.37Å; L492-F495 PolarHBondContact O-N 3.19Å; L492-T500 HydrophobicContact CB-CG2 4.05Å; L492-T500 HydrophobicContact CD1-CG2 4.13Å | ||
| 493 | G | 88.4 | Confident | 87.9 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | D491 | D491-G493 PolarHBondContact OD1-N 3.11Š|
| 494 | H | 87.3 | Confident | 87.8 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 4.1 | 175.2 | -52.9 | 117.9 | 0 | 0 | 0 | 114.2 | F283 F485 F486 L492 | F283-H494 HydrophobicContact CD1-CB 4.33Å; F283-H494 HydrophobicContact CE1-CB 4.2Å; F485-H494 PolarHBondContact O-CE1 2.84Å; F486-H494 AromaticContact CD1-CE1 3.74Å; F486-H494 AromaticContact CD1-ND1 3.76Å; F486-H494 AromaticContact CE1-CE1 3.46Å; F486-H494 VanDerWaalsContact CE1-CE1 3.46Å; F486-H494 WeakPolarHBondContact CE1-CE1 3.5Å; F486-H494 AromaticContact CE1-ND1 3.28Å; F486-H494 VanDerWaalsContact CE1-ND1 3.28Å; F486-H494 WeakPolarHBondContact CE1-ND1 3.41Å; L492-H494 PolarHBondContact O-N 3.43Å |
| 495 | F | 87.2 | Confident | 87.4 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -105.5 | 149.8 | 177.5 | -63.9 | -95 | 0 | 0 | 0 | 110.6 | I201 F275 P277 L492 R497 T500 | I201-F495 HydrophobicContact CB-CD1 3.79Å; I201-F495 HydrophobicContact CB-CE1 3.99Å; I201-F495 HydrophobicContact CB-CG 4.44Å; I201-F495 HydrophobicContact CD1-CE1 4.22Å; I201-F495 HydrophobicContact CG2-CD1 4.31Å; I201-F495 HydrophobicContact CG2-CE1 4.47Å; F275-F495 HydrophobicContact CE2-CE1 4.45Å; F275-F495 HydrophobicContact CE2-CE2 4.15Å; F275-F495 AromaticContact CE2-CZ 3.64Å; F275-F495 HydrophobicContact CE2-CZ 3.64Å; F275-F495 AromaticContact CZ-CE2 3.97Å; F275-F495 HydrophobicContact CZ-CE2 3.97Å; F275-F495 AromaticContact CZ-CZ 3.9Å; F275-F495 HydrophobicContact CZ-CZ 3.9Å; P277-F495 WeakPolarHBondContact O-CE2 3.3Å; L492-F495 HydrophobicContact CB-CD2 3.96Å; L492-F495 HydrophobicContact CD2-CD2 3.56Å; L492-F495 HydrophobicContact CD2-CE2 3.61Å; L492-F495 HydrophobicContact CD2-CG 4.28Å; L492-F495 HydrophobicContact CD2-CZ 4.39Å; L492-F495 HydrophobicContact CG-CD2 4.37Å; L492-F495 PolarHBondContact O-N 3.19Å; F495-R497 PolarHBondContact O-N 2.96Å; F495-T500 HydrophobicContact CB-CG2 3.78Å |
| 496 | D | 85.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 43% | 0.433 | 39% | 0.387 | S | S | . | . | trans | -64 | 128.3 | 179.6 | -167.5 | -25.9 | 0 | 0 | 0 | 111.1 | Q498 F499 T500 | D496-Q498 PolarHBondContact O-N 3.28Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.34Å; D496-Q498 PolarHBondContact OD1-N 2.97Å; D496-F499 HydrophobicContact CB-CD2 3.71Å; D496-F499 HydrophobicContact CB-CE2 3.83Å; D496-F499 PolarHBondContact O-N 3.17Å; D496-T500 PolarHBondContact O-N 2.99Å | ||
| 497 | R | 87.4 | Confident | 87 | Confident | 190 Ų | 190 | 78.7 Ų | 78.7 | 72% | 0.717 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.6 | -27.3 | 176.8 | -70.9 | -168.3 | 178.4 | -175.3 | -1.1 | 113 | F495 F499 T500 D501 | F495-R497 PolarHBondContact O-N 2.96Å; R497-F499 PolarHBondContact O-N 2.93Å; R497-T500 WeakPolarHBondContact CA-OG1 3.45Å; R497-T500 PolarHBondContact O-N 2.97Å; R497-D501 WeakPolarHBondContact O-CB 3.44Å; R497-D501 VanDerWaalsContact O-CG 3.22Å; R497-D501 PolarHBondContact O-N 3.44Å |
| 498 | Q | 88.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.2 | -35.8 | 172.5 | 179.7 | 177.2 | -20.1 | 0 | 0 | 111.7 | D496 | D496-Q498 PolarHBondContact O-N 3.28Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.34Å; D496-Q498 PolarHBondContact OD1-N 2.97Å |
| 499 | F | 88.4 | Confident | 86.9 | Confident | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -90.4 | -45.8 | 177.8 | -50.2 | -50.8 | 0 | 0 | 0 | 111.2 | V200 R203 D496 R497 D501 E502 | V200-F499 WeakPolarHBondContact CB-O 3.45Å; V200-F499 HydrophobicContact CG1-CB 4.35Å; V200-F499 CarbonylContact O-C 3.43Å; R203-F499 HydrophobicContact CB-CD1 4.39Å; R203-F499 HydrophobicContact CB-CE1 4.03Å; D496-F499 HydrophobicContact CB-CD2 3.71Å; D496-F499 HydrophobicContact CB-CE2 3.83Å; D496-F499 PolarHBondContact O-N 3.17Å; R497-F499 PolarHBondContact O-N 2.93Å; F499-D501 PolarHBondContact O-N 3.16Å; F499-D501 VanDerWaalsContact O-N 3.16Å; F499-E502 VanDerWaalsContact O-CB 3.3Å; F499-E502 WeakPolarHBondContact O-CB 3.37Å; F499-E502 PolarHBondContact O-N 3.2Å |
| 500 | T | 90.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 74.1 Ų | 74.1 | 9% | 0.086 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.3 | -12.5 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | K199 V200 L492 F495 D496 R497 | K199-T500 WeakPolarHBondContact CE-O 3.35Å; K199-T500 PolarHBondContact NZ-O 3.4Å; V200-T500 WeakPolarHBondContact O-CA 3.35Å; V200-T500 PolarHBondContact O-N 3.33Å; L492-T500 HydrophobicContact CB-CG2 4.05Å; L492-T500 HydrophobicContact CD1-CG2 4.13Å; F495-T500 HydrophobicContact CB-CG2 3.78Å; D496-T500 PolarHBondContact O-N 2.99Å; R497-T500 WeakPolarHBondContact CA-OG1 3.45Å; R497-T500 PolarHBondContact O-N 2.97Å |
| 501 | D | 91 | Very high | 87.1 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.4 | 172.3 | -64.3 | -19 | 0 | 0 | 0 | 112 | R497 F499 | R497-D501 WeakPolarHBondContact O-CB 3.44Å; R497-D501 VanDerWaalsContact O-CG 3.22Å; R497-D501 PolarHBondContact O-N 3.44Å; F499-D501 PolarHBondContact O-N 3.16Å; F499-D501 VanDerWaalsContact O-N 3.16Å |
| 502 | E | 90 | Very high | 87 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 17% | 0.173 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -65.9 | 143.1 | 175 | -73.5 | -165.3 | -153.4 | 0 | 0 | 111.7 | V200 R203 K208 F499 | V200-E502 HydrophobicContact CB-CB 4.09Å; V200-E502 HydrophobicContact CG1-CB 4.39Å; V200-E502 HydrophobicContact CG2-CB 3.93Å; R203-E502 IonicContact CZ-OE1 3.63Å; R203-E502 IonicContact NE-OE1 3.99Å; R203-E502 PolarHBondContact NE-OE1 2.8Å; R203-E502 IonicContact NE-OE2 3.23Å; R203-E502 IonicContact NH2-OE2 3.76Å; K208-E502 IonicContact NZ-OE2 2.73Å; K208-E502 PolarHBondContact NZ-OE2 2.65Å; K208-E502 VanDerWaalsContact NZ-OE2 3.14Å; F499-E502 VanDerWaalsContact O-CB 3.3Å; F499-E502 WeakPolarHBondContact O-CB 3.37Å; F499-E502 PolarHBondContact O-N 3.2Å |
| 503 | P | 88.5 | Confident | 86.6 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | trans | -64.2 | 141 | 170.9 | 27.3 | -33.6 | 0 | 0 | 0 | 111.2 | K208 M505 | K208-P503 PolarHBondContact NZ-O 3.44Å; P503-M505 HydrophobicContact CB-CG 4.03Å; P503-M505 HydrophobicContact CB-SD 3.96Å; P503-M505 HydrophobicContact CG-CG 4.11Å; P503-M505 HydrophobicContact CG-SD 4Å; P503-M505 PolarHBondContact O-N 2.8Å | ||
| 504 | V | 89.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 30% | 0.303 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -81.2 | 68.9 | 179.4 | -169.5 | 0 | 0 | 0 | 0 | 109.3 | L197 L198 K199 L210 | L197-V504 HydrophobicContact CB-CG1 3.58Å; L198-V504 WeakPolarHBondContact O-CG2 3.48Å; K199-V504 HydrophobicContact CD-CG2 4.43Å; L210-V504 HydrophobicContact CD2-CG1 4.04Å |
| 505 | M | 84.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 79.5 Ų | 79.5 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | trans | -139.7 | 145.4 | 178.6 | 62.7 | -170.1 | -63.9 | 0 | 0 | 110.6 | K208 P503 | K208-M505 PolarHBondContact NZ-O 3.49Å; P503-M505 HydrophobicContact CB-CG 4.03Å; P503-M505 HydrophobicContact CB-SD 3.96Å; P503-M505 HydrophobicContact CG-CG 4.11Å; P503-M505 HydrophobicContact CG-SD 4Å; P503-M505 PolarHBondContact O-N 2.8Å | ||
| 506 | F | 84.7 | Confident | 86.1 | Confident | 49 Ų | 49 | 84.7 Ų | 84.7 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 142.3 | 166.3 | -60.1 | -50.2 | 0 | 0 | 0 | 109.2 | L192 L197 L210 V225 F270 | L192-F506 HydrophobicContact CD1-CE2 4.06Å; L192-F506 HydrophobicContact CD1-CZ 4.2Å; L192-F506 HydrophobicContact CD2-CE2 3.8Å; L197-F506 HydrophobicContact CD1-CE2 3.73Å; L197-F506 HydrophobicContact CD1-CZ 3.79Å; L210-F506 HydrophobicContact CD1-CE1 3.94Å; L210-F506 HydrophobicContact CD2-CE1 4.4Å; V225-F506 HydrophobicContact CB-CE1 4.41Å; V225-F506 HydrophobicContact CG1-CD1 4.4Å; V225-F506 HydrophobicContact CG1-CE1 4Å; V225-F506 HydrophobicContact CG2-CE1 3.98Å; V225-F506 HydrophobicContact CG2-CZ 4.43Å; F270-F506 HydrophobicContact CE1-CE1 4.47Å; F270-F506 HydrophobicContact CE1-CE2 4.37Å; F270-F506 AromaticContact CE1-CZ 3.9Å; F270-F506 HydrophobicContact CE1-CZ 3.9Å |
| 507 | T | 82.8 | Confident | 86 | Confident | 75 Ų | 75 | 82.1 Ų | 82.1 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 135 | 167.8 | -40.3 | 0 | 0 | 0 | 0 | 108.5 | K227 R268 | K227-T507 PolarHBondContact NZ-OG1 2.76Å; K227-T507 VanDerWaalsContact NZ-OG1 3.15Å; R268-T507 PolarHBondContact NH2-O 3.39Å |
| 508 | P | 82.1 | Confident | 86 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 68% | 0.682 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -54 | 144.1 | 172.6 | -26 | 34.8 | 0 | 0 | 0 | 111.3 | ||
| 509 | D | 87.2 | Confident | 85.9 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 33% | 0.332 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 139 | 177.5 | -67.2 | -41.9 | 0 | 0 | 0 | 111.1 | S267 R268 P511 L514 | S267-D509 VanDerWaalsContact CB-CG 3.48Å; S267-D509 WeakPolarHBondContact CB-OD2 3.48Å; S267-D509 PolarHBondContact OG-OD1 3.06Å; S267-D509 PolarHBondContact OG-OD2 3Å; R268-D509 IonicContact CZ-OD1 3.11Å; R268-D509 IonicContact NH1-OD1 2.7Å; R268-D509 PolarHBondContact NH1-OD1 3.41Å; R268-D509 IonicContact NH1-OD2 3.85Å; R268-D509 IonicContact NH2-OD1 2.78Å; R268-D509 PolarHBondContact NH2-OD1 2.77Å; R268-D509 IonicContact NH2-OD2 3.8Å; D509-P511 WeakPolarHBondContact O-CD 3.39Å; D509-L514 HydrophobicContact CB-CD1 3.61Å; D509-L514 HydrophobicContact CB-CD2 4.06Å; D509-L514 HydrophobicContact CB-CG 3.98Å |
| 510 | E | 85.5 | Confident | 85.8 | Confident | 122 Ų | 122 | 75 Ų | 75 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | trans | -86.1 | 115.3 | 172.3 | -71.8 | -174.8 | -173.8 | 0 | 0 | 109.9 | G512 Q513 L514 | E510-G512 PolarHBondContact O-N 3.35Å; E510-G512 VanDerWaalsContact O-N 3.12Å; E510-Q513 HydrophobicContact CB-CB 4.34Å; E510-Q513 HydrophobicContact CB-CG 4.03Å; E510-Q513 PolarHBondContact O-N 2.69Å; E510-Q513 PolarHBondContact OE2-NE2 3.46Å; E510-L514 PolarHBondContact O-N 3.01Å; E510-L514 VanDerWaalsContact O-N 3.12Å | ||
| 511 | P | 83.6 | Confident | 85.4 | Confident | 106 Ų | 106 | 78 Ų | 78 | 69% | 0.688 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.6 | -35.6 | -173.9 | -26 | 34 | 0 | 0 | 0 | 113.6 | D509 Q513 L514 A515 | D509-P511 WeakPolarHBondContact O-CD 3.39Å; P511-Q513 VanDerWaalsContact C-N 3.31Å; P511-Q513 PolarHBondContact O-N 3.49Å; P511-L514 PolarHBondContact O-N 3.34Å; P511-A515 PolarHBondContact O-N 3.16Å; P511-A515 VanDerWaalsContact O-N 3.12Å |
| 512 | G | 84.9 | Confident | 85.2 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.6 | -25.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E510 | E510-G512 PolarHBondContact O-N 3.35Å; E510-G512 VanDerWaalsContact O-N 3.12Å |
| 513 | Q | 82.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -82.3 | -40 | 172.4 | -61 | -170 | 16.2 | 0 | 0 | 110.9 | T229 E510 P511 A515 K516 | T229-Q513 HydrophobicContact CG2-CB 3.92Å; E510-Q513 HydrophobicContact CB-CB 4.34Å; E510-Q513 HydrophobicContact CB-CG 4.03Å; E510-Q513 PolarHBondContact O-N 2.69Å; E510-Q513 PolarHBondContact OE2-NE2 3.46Å; P511-Q513 VanDerWaalsContact C-N 3.31Å; P511-Q513 PolarHBondContact O-N 3.49Å; Q513-A515 VanDerWaalsContact C-N 3.32Å; Q513-A515 PolarHBondContact O-N 3.14Å; Q513-K516 WeakPolarHBondContact O-CB 3.21Å; Q513-K516 PolarHBondContact O-N 3.18Å; Q513-K516 VanDerWaalsContact O-N 3.1Å |
| 514 | L | 83.5 | Confident | 84.6 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 178.9 | -67.1 | -176 | 0 | 0 | 0 | 112.8 | D509 E510 P511 K516 I517 | D509-L514 HydrophobicContact CB-CD1 3.61Å; D509-L514 HydrophobicContact CB-CD2 4.06Å; D509-L514 HydrophobicContact CB-CG 3.98Å; E510-L514 PolarHBondContact O-N 3.01Å; E510-L514 VanDerWaalsContact O-N 3.12Å; P511-L514 PolarHBondContact O-N 3.34Å; L514-K516 PolarHBondContact O-N 2.83Å; L514-K516 VanDerWaalsContact O-N 3.1Å; L514-I517 HydrophobicContact CD2-CD1 3.79Å; L514-I517 WeakPolarHBondContact O-CB 3.46Å; L514-I517 WeakPolarHBondContact O-CG1 3.42Å; L514-I517 PolarHBondContact O-N 3.34Å; L514-I517 VanDerWaalsContact O-N 3.08Å |
| 515 | A | 83.6 | Confident | 84.5 | Confident | 89 Ų | 89 | 73 Ų | 73 | 74% | 0.736 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P511 Q513 | P511-A515 PolarHBondContact O-N 3.16Å; P511-A515 VanDerWaalsContact O-N 3.12Å; Q513-A515 VanDerWaalsContact C-N 3.32Å; Q513-A515 PolarHBondContact O-N 3.14Å |
| 516 | K | 84.7 | Confident | 84.7 | Confident | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.5 | 178 | -62.4 | 177 | -176.3 | 178.2 | 0 | 113.2 | Q513 L514 D518 | Q513-K516 WeakPolarHBondContact O-CB 3.21Å; Q513-K516 PolarHBondContact O-N 3.18Å; Q513-K516 VanDerWaalsContact O-N 3.1Å; L514-K516 PolarHBondContact O-N 2.83Å; L514-K516 VanDerWaalsContact O-N 3.1Å; K516-D518 PolarHBondContact O-N 3.31Å |
| 517 | I | 84.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | trans | -76.1 | 119.7 | -178.1 | -57 | 172.6 | 0 | 0 | 0 | 108.5 | K228 T229 L514 Q519 F522 | K228-I517 HydrophobicContact CB-CD1 3.88Å; K228-I517 HydrophobicContact CB-CG2 4.05Å; K228-I517 HydrophobicContact CD-CG2 4.26Å; T229-I517 HydrophobicContact CG2-CD1 3.74Å; T229-I517 HydrophobicContact CG2-CG1 4.22Å; L514-I517 HydrophobicContact CD2-CD1 3.79Å; L514-I517 WeakPolarHBondContact O-CB 3.46Å; L514-I517 WeakPolarHBondContact O-CG1 3.42Å; L514-I517 PolarHBondContact O-N 3.34Å; L514-I517 VanDerWaalsContact O-N 3.08Å; I517-Q519 PolarHBondContact O-N 3.04Å; I517-F522 HydrophobicContact CG2-CE2 3.76Å | ||
| 518 | D | 86.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | trans | -73.7 | 104.9 | 166.9 | -169.7 | -15.7 | 0 | 0 | 0 | 108.8 | K516 S520 E521 F522 | K516-D518 PolarHBondContact O-N 3.31Å; D518-S520 PolarHBondContact O-N 3.2Å; D518-S520 WeakPolarHBondContact OD1-CB 3.07Å; D518-S520 PolarHBondContact OD1-N 3.27Å; D518-S520 PolarHBondContact OD1-OG 2.8Å; D518-E521 HydrophobicContact CB-CG 4.09Å; D518-F522 WeakPolarHBondContact O-CE2 3.46Å | ||
| 519 | Q | 87.1 | Confident | 84.9 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -68.1 | -25.6 | -178 | -63.3 | -65.1 | -31.7 | 0 | 0 | 112.2 | V266 I517 E521 F522 | V266-Q519 PolarHBondContact O-NE2 2.84Å; I517-Q519 PolarHBondContact O-N 3.04Å; Q519-E521 PolarHBondContact O-N 2.93Å; Q519-F522 PolarHBondContact O-N 3.16Å; Q519-F522 VanDerWaalsContact O-N 3.07Å |
| 520 | S | 85 | Confident | 84.2 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -68.4 | -22.4 | -175.8 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | D518 F522 D523 | D518-S520 PolarHBondContact O-N 3.2Å; D518-S520 WeakPolarHBondContact OD1-CB 3.07Å; D518-S520 PolarHBondContact OD1-N 3.27Å; D518-S520 PolarHBondContact OD1-OG 2.8Å; S520-F522 PolarHBondContact O-N 3.22Å; S520-D523 PolarHBondContact O-N 2.84Å |
| 521 | E | 82.6 | Confident | 83.2 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -67.5 | -13 | 174.3 | -64.9 | -71.1 | 178.4 | 0 | 0 | 112.7 | I237 D518 Q519 | I237-E521 HydrophobicContact CD1-CB 3.71Å; I237-E521 HydrophobicContact CD1-CG 3.87Å; I237-E521 WeakPolarHBondContact CD1-OE2 3.46Å; D518-E521 HydrophobicContact CB-CG 4.09Å; Q519-E521 PolarHBondContact O-N 2.93Å |
| 522 | F | 85.8 | Confident | 82.1 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.035 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -112.1 | 7.1 | 178.5 | -50.3 | -76.6 | 0 | 0 | 0 | 112.9 | K228 V231 Q264 L269 I517 D518 Q519 S520 G524 F525 | K228-F522 HydrophobicContact CB-CE2 4.19Å; K228-F522 HydrophobicContact CB-CZ 4.08Å; K228-F522 HydrophobicContact CD-CD2 3.86Å; K228-F522 HydrophobicContact CD-CE2 3.86Å; K228-F522 HydrophobicContact CD-CG 4.34Å; K228-F522 HydrophobicContact CD-CZ 4.32Å; K228-F522 HydrophobicContact CG-CD2 4.3Å; K228-F522 HydrophobicContact CG-CE1 4.21Å; K228-F522 HydrophobicContact CG-CE2 3.94Å; K228-F522 HydrophobicContact CG-CZ 3.88Å; V231-F522 HydrophobicContact CB-CE1 4.06Å; V231-F522 HydrophobicContact CB-CZ 3.98Å; V231-F522 HydrophobicContact CG1-CE1 3.82Å; V231-F522 HydrophobicContact CG1-CZ 3.98Å; V231-F522 HydrophobicContact CG2-CE1 4.39Å; Q264-F522 PolarHBondContact NE2-O 2.75Å; L269-F522 HydrophobicContact CD1-CD1 3.83Å; L269-F522 HydrophobicContact CD1-CE1 3.86Å; L269-F522 HydrophobicContact CD2-CB 4.31Å; L269-F522 HydrophobicContact CD2-CD1 3.76Å; L269-F522 HydrophobicContact CD2-CE1 4.39Å; L269-F522 HydrophobicContact CD2-CG 4.17Å; L269-F522 HydrophobicContact CG-CD1 4.25Å; L269-F522 HydrophobicContact CG-CE1 4.43Å; I517-F522 HydrophobicContact CG2-CE2 3.76Å; D518-F522 WeakPolarHBondContact O-CE2 3.46Å; Q519-F522 PolarHBondContact O-N 3.16Å; Q519-F522 VanDerWaalsContact O-N 3.07Å; S520-F522 PolarHBondContact O-N 3.22Å; F522-G524 PolarHBondContact O-N 3.47Å; F522-F525 VanDerWaalsContact O-CB 3.22Å; F522-F525 WeakPolarHBondContact O-CB 3.34Å; F522-F525 PolarHBondContact O-N 2.87Å; F522-F525 VanDerWaalsContact O-N 3.13Å |
| 523 | D | 83.3 | Confident | 80.3 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 132.4 | 176 | -72.6 | -14.9 | 0 | 0 | 0 | 110.2 | S520 F525 | S520-D523 PolarHBondContact O-N 2.84Å; D523-F525 VanDerWaalsContact C-N 3.34Å |
| 524 | G | 82.6 | Confident | 78.3 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 13.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K244 F522 E526 | K244-G524 PolarHBondContact NZ-O 3.37Å; F522-G524 PolarHBondContact O-N 3.47Å; G524-E526 PolarHBondContact O-N 3.2Å |
| 525 | F | 87.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -65.7 | -30.2 | 171.9 | -175.5 | -100.5 | 0 | 0 | 0 | 112.1 | V240 K244 C262 F263 Q264 L269 F271 F522 D523 Y527 | V240-F525 HydrophobicContact CG1-CD2 4.19Å; V240-F525 HydrophobicContact CG1-CE2 3.7Å; K244-F525 HydrophobicContact CD-CD2 4.48Å; K244-F525 VanDerWaalsContact NZ-C 3.35Å; K244-F525 PolarHBondContact NZ-O 2.84Å; C262-F525 HydrophobicContact CB-CD1 4.09Å; C262-F525 HydrophobicContact CB-CE1 3.66Å; C262-F525 HydrophobicContact CB-CZ 3.96Å; C262-F525 VanDerWaalsContact CB-O 3.26Å; C262-F525 WeakPolarHBondContact CB-O 3.36Å; F263-F525 WeakPolarHBondContact O-CE1 3.42Å; Q264-F525 HydrophobicContact CB-CD1 4.1Å; L269-F525 HydrophobicContact CB-CE1 3.91Å; L269-F525 HydrophobicContact CB-CE2 4.32Å; L269-F525 HydrophobicContact CB-CZ 3.78Å; L269-F525 HydrophobicContact CD1-CD2 4.43Å; L269-F525 HydrophobicContact CD1-CE2 4.14Å; L269-F525 HydrophobicContact CD1-CZ 4.43Å; L269-F525 HydrophobicContact CD2-CD1 3.89Å; L269-F525 HydrophobicContact CD2-CD2 4.17Å; L269-F525 HydrophobicContact CD2-CE1 4.09Å; L269-F525 HydrophobicContact CD2-CE2 4.36Å; L269-F525 HydrophobicContact CD2-CG 3.94Å; L269-F525 HydrophobicContact CD2-CZ 4.33Å; L269-F525 HydrophobicContact CG-CZ 4.42Å; F271-F525 HydrophobicContact CD1-CZ 4.38Å; F271-F525 HydrophobicContact CD2-CZ 4.21Å; F271-F525 HydrophobicContact CE1-CE2 4.07Å; F271-F525 AromaticContact CE1-CZ 3.94Å; F271-F525 HydrophobicContact CE1-CZ 3.94Å; F271-F525 HydrophobicContact CE2-CE2 4.13Å; F271-F525 AromaticContact CE2-CZ 3.74Å; F271-F525 HydrophobicContact CE2-CZ 3.74Å; F271-F525 AromaticContact CZ-CE2 3.64Å; F271-F525 HydrophobicContact CZ-CE2 3.64Å; F271-F525 AromaticContact CZ-CZ 3.61Å; F271-F525 HydrophobicContact CZ-CZ 3.61Å; F522-F525 VanDerWaalsContact O-CB 3.22Å; F522-F525 WeakPolarHBondContact O-CB 3.34Å; F522-F525 PolarHBondContact O-N 2.87Å; F522-F525 VanDerWaalsContact O-N 3.13Å; D523-F525 VanDerWaalsContact C-N 3.34Å; F525-Y527 PolarHBondContact O-N 3.05Å | ||
| 526 | E | 88.4 | Confident | 73.7 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | trans | -56.2 | 134.8 | 178.3 | -64.8 | 74.8 | -165.6 | 0 | 0 | 111.5 | K244 C262 Q264 G524 | K244-E526 PolarHBondContact NZ-O 3.42Å; C262-E526 WeakPolarHBondContact O-CA 3.47Å; Q264-E526 WeakPolarHBondContact CG-OE1 3.47Å; Q264-E526 PolarHBondContact NE2-OE1 2.99Å; Q264-E526 PolarHBondContact NE2-OE2 3.42Å; G524-E526 PolarHBondContact O-N 3.2Å | ||
| 527 | Y | 88.1 | Confident | 71.6 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 144.5 | 177.4 | 171.2 | -95.5 | 0 | 0 | 0 | 109.1 | E248 L259 S261 C262 F525 N529 | E248-Y527 HydrophobicContact CG-CD2 4.33Å; E248-Y527 HydrophobicContact CG-CE1 4.1Å; E248-Y527 HydrophobicContact CG-CE2 3.87Å; E248-Y527 WeakPolarHBondContact OE1-CD2 3.48Å; L259-Y527 HydrophobicContact CD2-CD1 3.5Å; L259-Y527 VanDerWaalsContact CD2-CD1 3.5Å; L259-Y527 HydrophobicContact CD2-CE1 3.56Å; L259-Y527 HydrophobicContact CD2-CG 4.45Å; L259-Y527 HydrophobicContact CG-CD1 4.12Å; L259-Y527 HydrophobicContact CG-CE1 4.04Å; S261-Y527 CarbonylContact C-O 3.5Å; S261-Y527 WeakPolarHBondContact CA-O 3.4Å; S261-Y527 VanDerWaalsContact CB-O 3.26Å; S261-Y527 WeakPolarHBondContact CB-O 3.49Å; C262-Y527 PolarHBondContact N-O 3.3Å; C262-Y527 PolarHBondContact O-N 3.45Å; F525-Y527 PolarHBondContact O-N 3.05Å; Y527-N529 HydrophobicContact CE1-CB 3.78Å |
| 528 | V | 85.3 | Confident | 69.1 | Low | 46 Ų | 46 | 67.4 Ų | 67.4 | 28% | 0.279 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.4 | 169.2 | 179 | 0 | 0 | 0 | 0 | 106.4 | V190 P530 M533 | V190-V528 HydrophobicContact CG2-CG2 4Å; V528-P530 WeakPolarHBondContact O-CD 3.45Å; V528-M533 HydrophobicContact CG1-CE 3.59Å; V528-M533 HydrophobicContact CG1-CG 4.01Å; V528-M533 HydrophobicContact CG1-SD 3.86Å |
| 529 | N | 81.7 | Confident | 66.4 | Low | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.011 | 42% | 0.423 | C | S | . | . | trans | -69.4 | 118.8 | -179.4 | -174 | -26.5 | 0 | 0 | 0 | 109.4 | S251 L259 H260 Y527 F531 L532 | S251-N529 WeakPolarHBondContact CB-ND2 3.5Å; L259-N529 WeakPolarHBondContact O-CB 2.94Å; L259-N529 PolarHBondContact O-ND2 3.2Å; H260-N529 VanDerWaalsContact O-CB 3.26Å; H260-N529 WeakPolarHBondContact O-CB 3.4Å; H260-N529 PolarHBondContact O-N 3.05Å; Y527-N529 HydrophobicContact CE1-CB 3.78Å; N529-F531 PolarHBondContact O-N 3.34Å; N529-F531 PolarHBondContact OD1-N 3.18Å; N529-L532 HydrophobicContact CB-CB 4.24Å; N529-L532 HydrophobicContact CB-CD1 4.48Å | ||
| 530 | P | 72.6 | Confident | 65.4 | Low | 92 Ų | 92 | 72.3 Ų | 72.3 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.9 | -177.1 | 27.2 | -33.8 | 0 | 0 | 0 | 113.7 | V528 | V528-P530 WeakPolarHBondContact O-CD 3.45Š|
| 531 | F | 64.5 | Low | 64.3 | Low | 152 Ų | 152 | 72.6 Ų | 72.6 | 67% | 0.667 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -20.3 | -176 | -57.2 | -73.8 | 0 | 0 | 0 | 114.2 | N529 | N529-F531 PolarHBondContact O-N 3.34Å; N529-F531 PolarHBondContact OD1-N 3.18Å |
| 532 | L | 59.4 | Low | 63.3 | Low | 73 Ų | 73 | 72.3 Ų | 72.3 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -9.8 | 178.6 | -76.1 | 171.2 | 0 | 0 | 0 | 113.4 | L259 N529 T534 | L259-L532 WeakPolarHBondContact O-CD1 3.33Å; N529-L532 HydrophobicContact CB-CB 4.24Å; N529-L532 HydrophobicContact CB-CD1 4.48Å; L532-T534 PolarHBondContact O-N 2.89Å; L532-T534 VanDerWaalsContact O-N 3.13Å |
| 533 | M | 46.8 | Very low | 62 | Low | 50 Ų | 50 | 76.1 Ų | 76.1 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -67.3 | 109.9 | 161.3 | -87.6 | -162.4 | 163.1 | 0 | 0 | 108.1 | V528 D537 | V528-M533 HydrophobicContact CG1-CE 3.59Å; V528-M533 HydrophobicContact CG1-CG 4.01Å; V528-M533 HydrophobicContact CG1-SD 3.86Å; M533-D537 WeakPolarHBondContact CA-OD2 3.21Å; M533-D537 HydrophobicContact CB-CB 3.78Å; M533-D537 HydrophobicContact CE-CB 3.85Å; M533-D537 HydrophobicContact CG-CB 3.47Å; M533-D537 VanDerWaalsContact CG-CB 3.47Å; M533-D537 HydrophobicContact SD-CB 3.64Å |
| 534 | T | 41.9 | Very low | 60.7 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | trans | -55.7 | 149.4 | 161.7 | 56.7 | 0 | 0 | 0 | 0 | 107.7 | L532 S536 D537 | L532-T534 PolarHBondContact O-N 2.89Å; L532-T534 VanDerWaalsContact O-N 3.13Å; T534-S536 WeakPolarHBondContact CB-OG 3.39Å; T534-S536 PolarHBondContact O-N 3.32Å; T534-S536 PolarHBondContact OG1-OG 3.4Å; T534-D537 PolarHBondContact N-OD2 3.35Å; T534-D537 WeakPolarHBondContact O-CB 3.33Å; T534-D537 PolarHBondContact O-N 3.03Å; T534-D537 PolarHBondContact OG1-OD2 3.09Å | ||
| 535 | P | 33 | Very low | 59.2 | Low | 124 Ų | 124 | 74.6 Ų | 74.6 | 81% | 0.805 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -52.2 | -18.7 | 177.6 | -27.2 | 33.8 | 0 | 0 | 0 | 114.3 | D537 | P535-D537 VanDerWaalsContact C-N 3.3Å; P535-D537 PolarHBondContact O-N 2.99Å |
| 536 | S | 36.1 | Very low | 57.1 | Low | 87 Ų | 87 | 79.9 Ų | 79.9 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.5 | 171.2 | 15.6 | 0 | 0 | 0 | 0 | 115.6 | T534 | T534-S536 WeakPolarHBondContact CB-OG 3.39Å; T534-S536 PolarHBondContact O-N 3.32Å; T534-S536 PolarHBondContact OG1-OG 3.4Å |
| 537 | D | 41.2 | Very low | 54.7 | Low | 9 Ų | 9 | 78.3 Ų | 78.3 | 5% | 0.048 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -88.1 | -11.4 | -174.2 | -65.3 | -51.6 | 0 | 0 | 0 | 113.7 | T217 M533 T534 P535 | T217-D537 WeakPolarHBondContact CG2-OD1 3.47Å; M533-D537 WeakPolarHBondContact CA-OD2 3.21Å; M533-D537 HydrophobicContact CB-CB 3.78Å; M533-D537 HydrophobicContact CE-CB 3.85Å; M533-D537 HydrophobicContact CG-CB 3.47Å; M533-D537 VanDerWaalsContact CG-CB 3.47Å; M533-D537 HydrophobicContact SD-CB 3.64Å; T534-D537 PolarHBondContact N-OD2 3.35Å; T534-D537 WeakPolarHBondContact O-CB 3.33Å; T534-D537 PolarHBondContact O-N 3.03Å; T534-D537 PolarHBondContact OG1-OD2 3.09Å; P535-D537 VanDerWaalsContact C-N 3.3Å; P535-D537 PolarHBondContact O-N 2.99Å |
| 538 | A | 33 | Very low | 52 | Low | 83 Ų | 83 | 80.7 Ų | 80.7 | 69% | 0.686 | 49% | 0.487 | S | S | * | . | trans | -94.8 | 16.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 539 | V | 28.3 | Very low | 48.9 | Very low | 185 Ų | 185 | 83.8 Ų | 83.8 | 100% | 1.121 | 51% | 0.506 | S | S | * | . | trans | -116.3 | 0 | -176.8 | -171.7 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 539 of 539 residues in 268.1 ms
(Link to these results)